Mock Version: 4.1 Mock Version: 4.1 Mock Version: 4.1 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target x86_64 --nodeps /builddir/build/SPECS/nwchem.spec'], chrootPath='/var/lib/mock/dist-ocs23-epol9-build-215181-16054/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=86400uid=981gid=135user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False) Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target x86_64 --nodeps /builddir/build/SPECS/nwchem.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'} and shell False Building target platforms: x86_64 Building for target x86_64 Wrote: /builddir/build/SRPMS/nwchem-7.2.2-1.ocs23.src.rpm Child return code was: 0 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target x86_64 --nodeps /builddir/build/SPECS/nwchem.spec'], chrootPath='/var/lib/mock/dist-ocs23-epol9-build-215181-16054/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=timeout=86400uid=981gid=135user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False) Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target x86_64 --nodeps /builddir/build/SPECS/nwchem.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'} and shell False Building target platforms: x86_64 Building for target x86_64 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.xrQulz + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf nwchem-74936fb92aec6990ce48bf334747215813684576 + /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/74936fb92aec6990ce48bf334747215813684576.tar.gz + STATUS=0 + '[' 0 -ne 0 ']' + cd nwchem-74936fb92aec6990ce48bf334747215813684576 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + rm -rf src/libext/elpa/GNUmakefile src/libext/elpa/build_elpa.sh src/libext/libext_utils/cmake.sh src/libext/libext_utils/get_tgz.sh src/libext/libxc/GNUmakefile src/libext/libxc/build_libxc.sh src/libext/libxc/pk09.patch src/libext/mpich/GNUmakefile src/libext/mpich/build_mpich.sh src/libext/openblas/GNUmakefile src/libext/openblas/arm64_fopt.patch src/libext/openblas/build_openblas.sh src/libext/openblas/clang_omp.patch src/libext/openblas/crayftn.patch src/libext/openblas/f_check.patch src/libext/openblas/icc_avx512.patch src/libext/openblas/makesys.patch src/libext/plumed/GNUmakefile src/libext/plumed/build_plumed.sh src/libext/scalapack/GNUmakefile src/libext/scalapack/build_scalapa.sh src/libext/scalapack/cmake.patch src/libext/scalapack/dcombssq.patch src/libext/scalapack/mpistruct.patch src/libext/tblite/GNUmakefile src/libext/tblite/build_tblite.sh src/libext/tblite/build_tblite_cmake.sh + mv src/blas/GNUmakefile /tmp/GNUmakefile.blas + mv src/lapack/GNUmakefile /tmp/GNUmakefile.lapack + rm -rf src/blas/MakeFile src/blas/double src/blas/groups-usr.dox src/blas/single src/lapack/MakeFile src/lapack/double src/lapack/single + mv /tmp/GNUmakefile.blas src/blas/GNUmakefile + mv /tmp/GNUmakefile.lapack src/lapack/GNUmakefile + sed -e 's|CORE_SUBDIRS_EXTRA +=.*|CORE_SUBDIRS_EXTRA +=|g' -i src/config/makefile.h + sed -e 's|CORE_SUBDIRS_EXTRA =.*|CORE_SUBDIRS_EXTRA =|g' -i src/config/makefile.h + sed -e 's|-llapack||g' -i src/config/makefile.h + sed -e 's|-lblas||g' -i src/config/makefile.h + sed -e 's|-lnwclapack||g' -i src/config/makefile.h + sed -e 's|-lnwcblas||g' -i src/config/makefile.h + rm -f QA/doqm.bat + rm -f src/config/sngl_to_dbl + rm -f src/config/simpledepend src/config/stripdepend + rm -f src/config/has_blas src/config/has_dblas src/config/has_sblas src/config/show_blas src/config/show_dblas src/config/show_sblas + rm -f src/config/dbl_to_sngl + rm -rf 'src/tools/ga-*' + sed -i 's|-march=native||' src/config/makefile.h + sed -i 's|-mtune=native|-mtune=generic|' src/config/makefile.h + sed -i 's|-mfpmath=sse||' src/config/makefile.h + sed -i 's|-msse3||' src/config/makefile.h + sed -i /libxc_waterdimer_bmk/d QA/dolibxctests.mpi + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.SdrqEY + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd nwchem-74936fb92aec6990ce48bf334747215813684576 + echo '# see https://nwchemgit.github.io/Compiling-NWChem.html' + echo export NWCHEM_TARGET=LINUX64 + echo export CC=gcc + echo export FC=gfortran + echo export USE_ARUR=TRUE + echo export USE_NOFSCHECK=TRUE + echo export USE_NOIO=TRUE + echo export NWCHEM_FSCHECK=N + echo export LARGE_FILES=TRUE + echo export MRCC_THEORY=Y + echo export EACCSD=Y + echo export IPCCSD=Y + echo export CCSDTQ=Y + echo export CCSDTLR=Y + echo export NWCHEM_LONG_PATHS=Y + echo unset USE_LIBXC + echo export 'LIBXC_LIB='\''/usr/lib64'\''' + echo export 'LIBXC_INCLUDE='\''/usr/include'\''' + echo export 'LIBXC_MODDIR='\''/usr/lib64/gfortran/modules'\''' + echo export NO_NWPWXC_VDW3A=1 + echo export HAS_BLAS=yes + echo export 'BLASOPT='\''-L/usr/lib64 -lflexiblas'\''' + echo export 'BLAS_SIZE='\''4'\''' + echo export 'LAPACK_LIB='\''-L/usr/lib64 -lflexiblas'\''' + echo export MAKE=/usr/bin/make + echo '$MAKE nwchem_config NWCHEM_MODULES="all python" 2>&1 | tee ../make_nwchem_config.log' + echo '$MAKE 64_to_32 2>&1 | tee ../make_64_to_32.log' + echo 'export MAKEOPTS="USE_64TO32=y"' + echo '$MAKE ${MAKEOPTS} 2>&1' + mv src src.orig + cp -rp src.orig src + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/3024772/exe ']' +++ /usr/bin/readlink /proc/3024772/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/openmpi-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export OMPI_MCA_rmaps_base_oversubscribe=1 + OMPI_MCA_rmaps_base_oversubscribe=1 + cd src + cp -p ../settings.sh ../compile_openmpi.sh + echo export USE_MPI=y + echo export USE_MPIF=y + echo export USE_MPIF4=y + echo export MPIEXEC=/usr/lib64/openmpi/bin/mpiexec + echo export LD_LIBRARY_PATH=/usr/lib64/openmpi/lib + echo export EXTERNAL_GA_PATH=/usr/lib64/openmpi + cat ../make.sh + /usr/bin/sed -i 's|.log|_openmpi.log|g' ../compile_openmpi.sh + cat ../compile_openmpi.sh # see https://nwchemgit.github.io/Compiling-NWChem.html export NWCHEM_TARGET=LINUX64 export CC=gcc export FC=gfortran export USE_ARUR=TRUE export USE_NOFSCHECK=TRUE export USE_NOIO=TRUE export NWCHEM_FSCHECK=N export LARGE_FILES=TRUE export MRCC_THEORY=Y export EACCSD=Y export IPCCSD=Y export CCSDTQ=Y export CCSDTLR=Y export NWCHEM_LONG_PATHS=Y unset USE_LIBXC export LIBXC_LIB='/usr/lib64' export LIBXC_INCLUDE='/usr/include' export LIBXC_MODDIR='/usr/lib64/gfortran/modules' export NO_NWPWXC_VDW3A=1 export HAS_BLAS=yes export BLASOPT='-L/usr/lib64 -lflexiblas' export BLAS_SIZE='4' export LAPACK_LIB='-L/usr/lib64 -lflexiblas' export MAKE=/usr/bin/make export USE_MPI=y export USE_MPIF=y export USE_MPIF4=y export MPIEXEC=/usr/lib64/openmpi/bin/mpiexec export LD_LIBRARY_PATH=/usr/lib64/openmpi/lib export EXTERNAL_GA_PATH=/usr/lib64/openmpi $MAKE nwchem_config NWCHEM_MODULES="all python" 2>&1 | tee ../make_nwchem_config_openmpi.log $MAKE 64_to_32 2>&1 | tee ../make_64_to_32_openmpi.log export MAKEOPTS="USE_64TO32=y" $MAKE ${MAKEOPTS} 2>&1 + sh ../compile_openmpi.sh ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** /usr/bin/make -C config -f make_nwchem_config NWCHEM_MODULES="all python" make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all python" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all python" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** /usr/bin/make -C config -f make_nwchem_config NWCHEM_MODULES="all python" make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all python" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all python" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 ./util/util_nwchem_version.bash /usr/bin/which: no git in (/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin) make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** rm -f 32_to_64 make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ /usr/bin/make -C $dir 64_to_32 || exit 1 ; \ done make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' Nothing to be done make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' ( cd /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config; /usr/bin/make /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x ; ) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' gcc -g -o /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 bas_blas.F bas_blasP.F basis.F converting bas_blas.F to 32-bit integers for BLAS/LAPACK converting bas_blasP.F to 32-bit integers for BLAS/LAPACK converting basis.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F geom_2d.F converting geom.F to 32-bit integers for BLAS/LAPACK converting geom_input.F to 32-bit integers for BLAS/LAPACK converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK converting geom_hnd.F to 32-bit integers for BLAS/LAPACK converting geom_3d.F to 32-bit integers for BLAS/LAPACK converting geom_getsym.F to 32-bit integers for BLAS/LAPACK converting geom_2d.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in hdbm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 task_num_grad.F task_bsse.F converting task_num_grad.F to 32-bit integers for BLAS/LAPACK converting task_bsse.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 sym_bs_irrep.F sym_g_sym.F sym_geom_prj.F sym_mo_adapt.F sym_op_clsfy.F sym_op_mtab.F sym_put_geom.F dosymops.F sym_abelian.F sym_bs_ir_id.F converting sym_bs_irrep.F to 32-bit integers for BLAS/LAPACK converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy.F to 32-bit integers for BLAS/LAPACK converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK converting dosymops.F to 32-bit integers for BLAS/LAPACK converting sym_abelian.F to 32-bit integers for BLAS/LAPACK converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 util.fh ga_it_lsolve.F ga_maxelt.F ga_mix.F ga_iter_diag.F ga_orthog.F dabsmax.F ga_normf.F corr_mk_ref.F ga_it2.F ga_lkain_ext.F util_file_name.F dgefa.f util_patch_test.F stpr_sjacobi.F util_dgeev.F util_test_cholesky.F dfill.F ga_lkain_2cpl3_ext.F ga_it2.F util_poltensor.F util_dpofa.F util_dgedi.F ma_solve.F zfill.f util_memcpy.c converting util.fh to 32-bit integers for BLAS/LAPACK converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK converting ga_mix.F to 32-bit integers for BLAS/LAPACK converting ga_iter_diag.F to 32-bit integers for BLAS/LAPACK converting ga_orthog.F to 32-bit integers for BLAS/LAPACK converting dabsmax.F to 32-bit integers for BLAS/LAPACK converting ga_normf.F to 32-bit integers for BLAS/LAPACK converting corr_mk_ref.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK converting util_file_name.F to 32-bit integers for BLAS/LAPACK converting dgefa.f to 32-bit integers for BLAS/LAPACK converting util_patch_test.F to 32-bit integers for BLAS/LAPACK converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK converting util_dgeev.F to 32-bit integers for BLAS/LAPACK converting util_test_cholesky.F to 32-bit integers for BLAS/LAPACK converting dfill.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_2cpl3_ext.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting util_poltensor.F to 32-bit integers for BLAS/LAPACK converting util_dpofa.F to 32-bit integers for BLAS/LAPACK converting util_dgedi.F to 32-bit integers for BLAS/LAPACK converting ma_solve.F to 32-bit integers for BLAS/LAPACK converting zfill.f to 32-bit integers for BLAS/LAPACK converting util_memcpy.c to 32-bit integers for BLAS/LAPACK Making 64_to_32 in md5 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' (cd ./src/c; /usr/bin/make 64_to_32) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 *c *f *F converting b_ortho.c to 32-bit integers for BLAS/LAPACK converting chol_bcst.c to 32-bit integers for BLAS/LAPACK converting choleski9.c to 32-bit integers for BLAS/LAPACK converting ci_entry.c to 32-bit integers for BLAS/LAPACK converting clustrf3.c to 32-bit integers for BLAS/LAPACK converting clustrf4.c to 32-bit integers for BLAS/LAPACK converting clustrf5.c to 32-bit integers for BLAS/LAPACK converting clustrfix.c to 32-bit integers for BLAS/LAPACK converting clustrxx3.c to 32-bit integers for BLAS/LAPACK converting clustrxx30.c to 32-bit integers for BLAS/LAPACK converting clustrxx31.c to 32-bit integers for BLAS/LAPACK converting clustrxx33.c to 32-bit integers for BLAS/LAPACK converting clustrxx4.c to 32-bit integers for BLAS/LAPACK converting clustrxx5.c to 32-bit integers for BLAS/LAPACK converting clustrxx99.c to 32-bit integers for BLAS/LAPACK converting conjug22.c to 32-bit integers for BLAS/LAPACK converting de_sym.c to 32-bit integers for BLAS/LAPACK converting exit.c to 32-bit integers for BLAS/LAPACK converting exit2.c to 32-bit integers for BLAS/LAPACK converting forLL.c to 32-bit integers for BLAS/LAPACK converting forLU.c to 32-bit integers for BLAS/LAPACK converting gmax.c to 32-bit integers for BLAS/LAPACK converting inv_it3.c to 32-bit integers for BLAS/LAPACK converting inv_it4.c to 32-bit integers for BLAS/LAPACK converting inv_it44.c to 32-bit integers for BLAS/LAPACK converting inv_it5.c to 32-bit integers for BLAS/LAPACK converting inv_it6.c to 32-bit integers for BLAS/LAPACK converting inverse.c to 32-bit integers for BLAS/LAPACK converting lu_mxm2.c to 32-bit integers for BLAS/LAPACK converting mapchk.c to 32-bit integers for BLAS/LAPACK converting mapdif.c to 32-bit integers for BLAS/LAPACK converting mapdif1.c to 32-bit integers for BLAS/LAPACK converting matmax.c to 32-bit integers for BLAS/LAPACK converting mdif2b.c to 32-bit integers for BLAS/LAPACK converting mdiff1.c to 32-bit integers for BLAS/LAPACK converting mdiff2.c to 32-bit integers for BLAS/LAPACK converting memreq.c to 32-bit integers for BLAS/LAPACK converting memreq2.c to 32-bit integers for BLAS/LAPACK converting memreq_eval.c to 32-bit integers for BLAS/LAPACK converting memreq_f.c to 32-bit integers for BLAS/LAPACK converting mgs4.c to 32-bit integers for BLAS/LAPACK converting mgs5.c to 32-bit integers for BLAS/LAPACK converting mgscs.c to 32-bit integers for BLAS/LAPACK converting mxm25.c to 32-bit integers for BLAS/LAPACK converting mxm5x.c to 32-bit integers for BLAS/LAPACK converting mxm88.c to 32-bit integers for BLAS/LAPACK converting mxm_ll1.c to 32-bit integers for BLAS/LAPACK converting onenorm.c to 32-bit integers for BLAS/LAPACK converting ortho.c to 32-bit integers for BLAS/LAPACK converting ortho2.c to 32-bit integers for BLAS/LAPACK converting pdcomplex.c to 32-bit integers for BLAS/LAPACK converting pdiff.c to 32-bit integers for BLAS/LAPACK converting pdspev_c.c to 32-bit integers for BLAS/LAPACK converting pdspeval.c to 32-bit integers for BLAS/LAPACK converting pdspevx.c to 32-bit integers for BLAS/LAPACK converting pdspgv_c.c to 32-bit integers for BLAS/LAPACK converting pdspgvx.c to 32-bit integers for BLAS/LAPACK converting pdsptri.c to 32-bit integers for BLAS/LAPACK converting pdsptri2.c to 32-bit integers for BLAS/LAPACK converting peigs_dlasq1.c to 32-bit integers for BLAS/LAPACK converting peigs_tldlfact.c to 32-bit integers for BLAS/LAPACK converting pgexit.c to 32-bit integers for BLAS/LAPACK converting pipe_fut.c to 32-bit integers for BLAS/LAPACK converting pmmLSL.c to 32-bit integers for BLAS/LAPACK converting pmmLUL.c to 32-bit integers for BLAS/LAPACK converting pmmlsl2.c to 32-bit integers for BLAS/LAPACK converting pscale.c to 32-bit integers for BLAS/LAPACK converting pstebz10.c to 32-bit integers for BLAS/LAPACK converting pstebz11.c to 32-bit integers for BLAS/LAPACK converting pstebz9.c to 32-bit integers for BLAS/LAPACK converting pstein3.c to 32-bit integers for BLAS/LAPACK converting pstein4.c to 32-bit integers for BLAS/LAPACK converting pstein44.c to 32-bit integers for BLAS/LAPACK converting pstein5.c to 32-bit integers for BLAS/LAPACK converting pxerbla.c to 32-bit integers for BLAS/LAPACK converting qsort.c to 32-bit integers for BLAS/LAPACK converting r_ritz.c to 32-bit integers for BLAS/LAPACK converting reducemap.c to 32-bit integers for BLAS/LAPACK converting resid.c to 32-bit integers for BLAS/LAPACK converting residual.c to 32-bit integers for BLAS/LAPACK converting sfnorm.c to 32-bit integers for BLAS/LAPACK converting shellsort.c to 32-bit integers for BLAS/LAPACK converting soluf.c to 32-bit integers for BLAS/LAPACK converting sonenorm.c to 32-bit integers for BLAS/LAPACK converting soort.c to 32-bit integers for BLAS/LAPACK converting sort.c to 32-bit integers for BLAS/LAPACK converting sorteig.c to 32-bit integers for BLAS/LAPACK converting tred22.c to 32-bit integers for BLAS/LAPACK converting treesort3.c to 32-bit integers for BLAS/LAPACK converting tresid.c to 32-bit integers for BLAS/LAPACK converting util.c to 32-bit integers for BLAS/LAPACK converting xerbla.c to 32-bit integers for BLAS/LAPACK converting peigs_cmod.f to 32-bit integers for BLAS/LAPACK converting gdot.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' (cd ./src/f77; /usr/bin/make 64_to_32) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 types.f inverm.F \ dgetavec.F dgetavec2.f dgetavec3.f dgetavec4.F \ dptsvx2.f converting types.f to 32-bit integers for BLAS/LAPACK converting inverm.F to 32-bit integers for BLAS/LAPACK converting dgetavec.F to 32-bit integers for BLAS/LAPACK converting dgetavec2.f to 32-bit integers for BLAS/LAPACK converting dgetavec3.f to 32-bit integers for BLAS/LAPACK converting dgetavec4.F to 32-bit integers for BLAS/LAPACK converting dptsvx2.f to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' (cd ./comm; /usr/bin/make 64_to_32) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 *h *F converting cmbbfr1.h to 32-bit integers for BLAS/LAPACK converting datasizes.h to 32-bit integers for BLAS/LAPACK converting defines.h to 32-bit integers for BLAS/LAPACK converting mxsubs.h to 32-bit integers for BLAS/LAPACK converting maxx.F to 32-bit integers for BLAS/LAPACK converting mxbrod.F to 32-bit integers for BLAS/LAPACK converting mxcombv1.F to 32-bit integers for BLAS/LAPACK converting mxsubs.F to 32-bit integers for BLAS/LAPACK converting peigs_dgop.F to 32-bit integers for BLAS/LAPACK converting sum.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' (cd ./ctof; /usr/bin/make 64_to_32) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 *c converting bortho_f.c to 32-bit integers for BLAS/LAPACK converting choleski_f.c to 32-bit integers for BLAS/LAPACK converting inverse_f.c to 32-bit integers for BLAS/LAPACK converting mxm25_f.c to 32-bit integers for BLAS/LAPACK converting mxm5x_f.c to 32-bit integers for BLAS/LAPACK converting mxm88_f.c to 32-bit integers for BLAS/LAPACK converting onenorm_f.c to 32-bit integers for BLAS/LAPACK converting ortho_f.c to 32-bit integers for BLAS/LAPACK converting pdspev_f.c to 32-bit integers for BLAS/LAPACK converting pdspevx_f.c to 32-bit integers for BLAS/LAPACK converting pdspgv_f.c to 32-bit integers for BLAS/LAPACK converting pdspgvx_f.c to 32-bit integers for BLAS/LAPACK converting pdsptri_f.c to 32-bit integers for BLAS/LAPACK converting resid_f.c to 32-bit integers for BLAS/LAPACK converting residual_f.c to 32-bit integers for BLAS/LAPACK converting sonenorm_f.c to 32-bit integers for BLAS/LAPACK converting tresid_f.c to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' (cd ./h; /usr/bin/make 64_to_32) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/h' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 blas_lapack.h peigs_types.h converting blas_lapack.h to 32-bit integers for BLAS/LAPACK converting peigs_types.h to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/h' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in simint make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in module make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Making 64_to_32 in source make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making 64_to_32 in api make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 int_1e3ov.F int_hf1sp.F int_lgen1e.F intb_2e4c.F intbd_2e4c.F intd_1e3ov.F intd_1eh1.F intd_2e2c.F intd_2e4c.F intd_mpolel.F intp_txyz.F intpd_mpolel.F intbdd_2e4c.F int_2e4c.F intdd_2e2c.F intdd_2e3c.F intd_2e3c.F intdd_2e4c.F intd_1epot.F intd_1epot_cosmo.F intpd_1eov.F intpd_2e3c.F intpd_1eke.F intpd_2e2c.F intpd_2e3ct.F converting int_1e3ov.F to 32-bit integers for BLAS/LAPACK converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK converting intbd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intp_txyz.F to 32-bit integers for BLAS/LAPACK converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intbdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting int_2e4c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1epot.F to 32-bit integers for BLAS/LAPACK converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK converting intpd_1eov.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3ct.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Making 64_to_32 in int make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hf2oi.f hfkei.f hfnai.f hfnai_er.F hf2.F igamma.F hferi.F hf1.F hf1mke3.f converting hf2oi.f to 32-bit integers for BLAS/LAPACK converting hfkei.f to 32-bit integers for BLAS/LAPACK converting hfnai.f to 32-bit integers for BLAS/LAPACK converting hfnai_er.F to 32-bit integers for BLAS/LAPACK converting hf2.F to 32-bit integers for BLAS/LAPACK converting igamma.F to 32-bit integers for BLAS/LAPACK converting hferi.F to 32-bit integers for BLAS/LAPACK converting hf1.F to 32-bit integers for BLAS/LAPACK converting hf1mke3.f to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Making 64_to_32 in auxil make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 int_spcart.F spherical.F xlm_norm.F xlmcoeff.F int_norm_2c.F int_spcart2.F converting int_spcart.F to 32-bit integers for BLAS/LAPACK converting spherical.F to 32-bit integers for BLAS/LAPACK converting xlm_norm.F to 32-bit integers for BLAS/LAPACK converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK converting int_norm_2c.F to 32-bit integers for BLAS/LAPACK converting int_spcart2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Making 64_to_32 in ints_sp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 sp1111.F converting sp1111.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Making 64_to_32 in deriv make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hf1PRtoAB.f hf1d.F hf2PRtoAB.f hf2QStoCD.f hf2d.F hf2d_2a.F hf2d_2a2b.F hf2d_2b.F hf2d_3a.F hf2d_3a2b.F hfd3oi.F hf2d_all.F hfderi.F hf1d_cosmo.F converting hf1PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf1d.F to 32-bit integers for BLAS/LAPACK converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK converting hf2d.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK converting hfd3oi.F to 32-bit integers for BLAS/LAPACK converting hf2d_all.F to 32-bit integers for BLAS/LAPACK converting hfderi.F to 32-bit integers for BLAS/LAPACK converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Making 64_to_32 in texas make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 amshift.F big_service.F trobsa.F getmem.F converting amshift.F to 32-bit integers for BLAS/LAPACK converting big_service.F to 32-bit integers for BLAS/LAPACK converting trobsa.F to 32-bit integers for BLAS/LAPACK converting getmem.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Making 64_to_32 in ecp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ecp_bess_pow.f ecp_cart_xpd.F ecp_cstrans.F ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F ecp_int0.F ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F ecp_local2.F ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q3asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t1_Q3pow.F ecp_t2_p0pow.F ecp_t2_p1pow.F ecp_t2_p3pow.F ecp_t2_p4pow.F ecp_skipint.F int_ecp.F converting ecp_bess_pow.f to 32-bit integers for BLAS/LAPACK converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_b.F to 32-bit integers for BLAS/LAPACK converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK converting ecp_int0.F to 32-bit integers for BLAS/LAPACK converting ecp_int1.F to 32-bit integers for BLAS/LAPACK converting ecp_int2.F to 32-bit integers for BLAS/LAPACK converting ecp_integral.F to 32-bit integers for BLAS/LAPACK converting ecp_local0.F to 32-bit integers for BLAS/LAPACK converting ecp_local1.F to 32-bit integers for BLAS/LAPACK converting ecp_local2.F to 32-bit integers for BLAS/LAPACK converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK converting ecp_radint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p4pow.F to 32-bit integers for BLAS/LAPACK converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK converting int_ecp.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Making 64_to_32 in hondo make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hnd_stvint.F hnd_stvintd.F hnd_stvintdd.F hnd_elfder.F hnd_pso.F hnd_ops.F hnd_dso.F hnd_giaoh11.F hnd_giaoh01.F hnd_giaotv10.F hnd_giaobq10.F hnd_giaol10.F hnd_giaos10.F hnd_giaos100.F hnd_vstat.F hnd_veloc.F hnd_dipder.F hnd_angmom.F hnd_dipvel.F hnd_giahnd.F converting hnd_stvint.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK converting hnd_pso.F to 32-bit integers for BLAS/LAPACK converting hnd_ops.F to 32-bit integers for BLAS/LAPACK converting hnd_dso.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK converting hnd_giaotv10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos100.F to 32-bit integers for BLAS/LAPACK converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK converting hnd_angmom.F to 32-bit integers for BLAS/LAPACK converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Making 64_to_32 in rel make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 rel_onel.F rel_oneld.F rel_mpole.F rel_2e4c_sf.F rel_LLSS.F rel_SSLL.F rel_SSSS.F rel_2e4cd_sf.F rel_LLSSd.F rel_SSLLd.F rel_SSSSd.F rel_pot.F rel_oneld_cosmo.F rel_pot2.F converting rel_onel.F to 32-bit integers for BLAS/LAPACK converting rel_oneld.F to 32-bit integers for BLAS/LAPACK converting rel_mpole.F to 32-bit integers for BLAS/LAPACK converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSS.F to 32-bit integers for BLAS/LAPACK converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSSd.F to 32-bit integers for BLAS/LAPACK converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK converting rel_pot.F to 32-bit integers for BLAS/LAPACK converting rel_oneld_cosmo.F to 32-bit integers for BLAS/LAPACK converting rel_pot2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Making 64_to_32 in dk make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 int_1edk_ga.F int_1edkso_ga.F converting int_1edk_ga.F to 32-bit integers for BLAS/LAPACK converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 atomd.F atscf_atscf.F atscf_ecp.F converting atomd.F to 32-bit integers for BLAS/LAPACK converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F cosmo_fock.F converting ao_fock_2e.F to 32-bit integers for BLAS/LAPACK converting ao_replicated.F to 32-bit integers for BLAS/LAPACK converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK converting int2e_file.F to 32-bit integers for BLAS/LAPACK converting movecs_lock.F to 32-bit integers for BLAS/LAPACK converting movecs_phase.F to 32-bit integers for BLAS/LAPACK converting riscf_fock.F to 32-bit integers for BLAS/LAPACK converting riscf_trans.F to 32-bit integers for BLAS/LAPACK converting rohf_diis.F to 32-bit integers for BLAS/LAPACK converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK converting scf_movecs.F to 32-bit integers for BLAS/LAPACK converting scf_vec_guess.F to 32-bit integers for BLAS/LAPACK converting uhf.F to 32-bit integers for BLAS/LAPACK converting movecs_frag.F to 32-bit integers for BLAS/LAPACK converting localize.F to 32-bit integers for BLAS/LAPACK converting fock_2e.F to 32-bit integers for BLAS/LAPACK converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK converting vectors.F to 32-bit integers for BLAS/LAPACK converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK converting cosmo_fock.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in fast make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 potential.F pot_shell.F fmm.F newfmm.F testfmm.F cart_trans.F xlm_poles.F fastj.F solver.F cheby.F converting potential.F to 32-bit integers for BLAS/LAPACK converting pot_shell.F to 32-bit integers for BLAS/LAPACK converting fmm.F to 32-bit integers for BLAS/LAPACK converting newfmm.F to 32-bit integers for BLAS/LAPACK converting testfmm.F to 32-bit integers for BLAS/LAPACK converting cart_trans.F to 32-bit integers for BLAS/LAPACK converting xlm_poles.F to 32-bit integers for BLAS/LAPACK converting fastj.F to 32-bit integers for BLAS/LAPACK converting solver.F to 32-bit integers for BLAS/LAPACK converting cheby.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 grad2.F ga_reorder.F grad_dens.F converting grad2.F to 32-bit integers for BLAS/LAPACK converting ga_reorder.F to 32-bit integers for BLAS/LAPACK converting grad_dens.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 moints_2x.F moints_6x.F moints_aux2.F moints_ccsd.F moints_full.F moints_semi.F sifs0.F sifs1.F converting moints_2x.F to 32-bit integers for BLAS/LAPACK converting moints_6x.F to 32-bit integers for BLAS/LAPACK converting moints_aux2.F to 32-bit integers for BLAS/LAPACK converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK converting moints_full.F to 32-bit integers for BLAS/LAPACK converting moints_semi.F to 32-bit integers for BLAS/LAPACK converting sifs0.F to 32-bit integers for BLAS/LAPACK converting sifs1.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./include -I./grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 xc_vwn_a.fh converting xc_vwn_a.fh to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' Making 64_to_32 in input_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Making 64_to_32 in scf_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F dft_diagn.F dft_spinflip.F dft_pstat.F converting dft_mxovl.F to 32-bit integers for BLAS/LAPACK converting diis_bld12.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK converting dft_densm.F to 32-bit integers for BLAS/LAPACK converting dft_swapab.F to 32-bit integers for BLAS/LAPACK converting dft_canorg.F to 32-bit integers for BLAS/LAPACK converting cdft_util.F to 32-bit integers for BLAS/LAPACK converting dft_diagn.F to 32-bit integers for BLAS/LAPACK converting dft_spinflip.F to 32-bit integers for BLAS/LAPACK converting dft_pstat.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Making 64_to_32 in scf_dft_cg make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Making 64_to_32 in so_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dft_mxovlso.F diis_bld12_so.F diis_bsolve_so.F sym_mo_adapt_so.F sym_op_clsfy_so.F dft_scf_so.F ga_orthog_so.F dft_scf_utils_so.F dft_densmso.F converting dft_mxovlso.F to 32-bit integers for BLAS/LAPACK converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK converting dft_densmso.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Making 64_to_32 in coulomb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dft_fitcd.F dft_fitvc.F dft_genspm.F dft_3cincor.F dft_get2eri.F converting dft_fitcd.F to 32-bit integers for BLAS/LAPACK converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK converting dft_genspm.F to 32-bit integers for BLAS/LAPACK converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK converting dft_get2eri.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Making 64_to_32 in xc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /usr/lib64/openmpi/include/ga-wapi.h: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cat: /usr/lib64/openmpi/include/ga-wapi.h: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 xc_fitv.F xc_dirac.F xc_bnl.F xc_att_xc.F xc_tabcd.F xc_rhogen.F xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F xc_replicated.F xc_vdw_main.F xc_vdw_util.F xc_3rd_deriv.F xc_hcth.F ts_tf.F xc_xn12.F xc_util.F xc_tabcd_adft.F xc_rhogen_adft.F xc_getvxc.F xc_lb94.F converting xc_fitv.F to 32-bit integers for BLAS/LAPACK converting xc_dirac.F to 32-bit integers for BLAS/LAPACK converting xc_bnl.F to 32-bit integers for BLAS/LAPACK converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK converting xc_oep.F to 32-bit integers for BLAS/LAPACK converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK converting xc_sic.F to 32-bit integers for BLAS/LAPACK converting localize_sic.F to 32-bit integers for BLAS/LAPACK converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK converting xc_fd.F to 32-bit integers for BLAS/LAPACK converting xc_optc.F to 32-bit integers for BLAS/LAPACK converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK converting scat_mat.F to 32-bit integers for BLAS/LAPACK converting xc_replicated.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK converting xc_hcth.F to 32-bit integers for BLAS/LAPACK converting ts_tf.F to 32-bit integers for BLAS/LAPACK converting xc_xn12.F to 32-bit integers for BLAS/LAPACK converting xc_util.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd_adft.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen_adft.F to 32-bit integers for BLAS/LAPACK converting xc_getvxc.F to 32-bit integers for BLAS/LAPACK converting xc_lb94.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' Making 64_to_32 in util make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ga_chol_seq.F ga_inv_seq.F int_1e_fde.F dft_utilmap.F converting ga_chol_seq.F to 32-bit integers for BLAS/LAPACK converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK converting int_1e_fde.F to 32-bit integers for BLAS/LAPACK converting dft_utilmap.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Making 64_to_32 in grid make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 grid_invariant.F grid_beckew.F grid_file.F grid_setspac.F grid_quadv0a.F grid_quadv0b.F grid_quadvw.F grid_tasks.F grid_pscreen.F grid_quadvw1.F grid_xcfit.F grid_sympts.F grid_ssw.F grid_finpts.F grid_ylm.F grid_eaf.F converting grid_invariant.F to 32-bit integers for BLAS/LAPACK converting grid_beckew.F to 32-bit integers for BLAS/LAPACK converting grid_file.F to 32-bit integers for BLAS/LAPACK converting grid_setspac.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0a.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK converting grid_tasks.F to 32-bit integers for BLAS/LAPACK converting grid_pscreen.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK converting grid_sympts.F to 32-bit integers for BLAS/LAPACK converting grid_ssw.F to 32-bit integers for BLAS/LAPACK converting grid_finpts.F to 32-bit integers for BLAS/LAPACK converting grid_ylm.F to 32-bit integers for BLAS/LAPACK converting grid_eaf.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Making 64_to_32 in dftgrad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dftg_cdfit.F dftg_quadv0b.F dftg_wderiv.F j_nucder_gen.F dft_gradients.F dftg_gridv0a.F dftg_gridv0b.F dftg_quadv0b_adft.F converting dftg_cdfit.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK converting dft_gradients.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b_adft.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Making 64_to_32 in lr_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tddft_diagon.F tddft_transfm.F tddft_analysis.F tddft_restart.F tddft_civecs_phase.F tddft_fock_fit.F tddft_memory.F converting tddft_diagon.F to 32-bit integers for BLAS/LAPACK converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK converting tddft_analysis.F to 32-bit integers for BLAS/LAPACK converting tddft_restart.F to 32-bit integers for BLAS/LAPACK converting tddft_civecs_phase.F to 32-bit integers for BLAS/LAPACK converting tddft_fock_fit.F to 32-bit integers for BLAS/LAPACK converting tddft_memory.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Making 64_to_32 in lr_tddft_grad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tddft_grad_gxc.F tddft_grad_compute_w.F tddft_grad_dxcdmat.F tddft_grad_dfxc.F tddft_grad_quadv0b.F tddft_grad_dvxc.F tddft_grad_compute_g.F converting tddft_grad_gxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dfxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_quadv0b.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_g.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Making 64_to_32 in zora make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F dft_zora_utils_so.F zora_getv_HFine.F converting dft_zora_NMR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_Hyperfine.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK converting dft_zora_utils_so.F to 32-bit integers for BLAS/LAPACK converting zora_getv_HFine.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Making 64_to_32 in spec make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dft_polfromsos.F converting dft_polfromsos.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Making 64_to_32 in rt_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in matutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 zmat_diag.F zmat_inv.F converting zmat_diag.F to 32-bit integers for BLAS/LAPACK converting zmat_inv.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Making 64_to_32 in rtutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Making 64_to_32 in input make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Making 64_to_32 in init make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Making 64_to_32 in canorg make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Making 64_to_32 in propagators make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Making 64_to_32 in closedshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Making 64_to_32 in openshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Making 64_to_32 in libxc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib64/gfortran/modules -I. -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nwchem_libxc_compute.F converting nwchem_libxc_compute.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' Making 64_to_32 in x2c make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dgecop.F eval_3ci.F rimp2_v_e2.F xf3ci_s12a.F xf3ci_s12b.F converting dgecop.F to 32-bit integers for BLAS/LAPACK converting eval_3ci.F to 32-bit integers for BLAS/LAPACK converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12b.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F converting stpr_driver.F to 32-bit integers for BLAS/LAPACK converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK converting stpr_partit.F to 32-bit integers for BLAS/LAPACK converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F socket_driver.F converting opt_drv.F to 32-bit integers for BLAS/LAPACK converting oniom.F to 32-bit integers for BLAS/LAPACK converting lbfgs.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b_driver.F to 32-bit integers for BLAS/LAPACK converting socket_driver.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in deloc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Making 64_to_32 in mepgs make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mepgs_drv.F converting mepgs_drv.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Making 64_to_32 in tropt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tropt_drv.F converting tropt_drv.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Making 64_to_32 in neb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 neb_drv.F neb_utils.F bead_list.F neb_input.F converting neb_drv.F to 32-bit integers for BLAS/LAPACK converting neb_utils.F to 32-bit integers for BLAS/LAPACK converting bead_list.F to 32-bit integers for BLAS/LAPACK converting neb_input.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Making 64_to_32 in string make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 string.F converting string.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_itm.F ccsd_itm_omp.F ccsd_t2pm.F ccsd_iterdrv2.F ccsd_pampt2.F ccsd_pampt3.F ccsd_idx1.F ccsd_idx2.F ccsd_idx34.F ccsd_pdiis.F ccsd_sortmo.F ccsd_trpdrv.F ccsd_trpdrv_nb.F ccsd_trpdrv_omp.F ccsd_trpdrv_omp_mixprec.F moints_trp.F ccsd_zvecs.F ccsd_z2pm.F ccsd_tzinta.F ccsd_tzintb.F ccsd_zsig1.F ccsd_zsig2.F ccden_interm2.F ccden_1pdm.F geaxpy.F ccsd_mktau_ga.F ccden_2pdmb.F aoccsd2.F ccsd_fsig1.F ccsd_fsig2.F ccsd_trpdrv_bgp2.F ccsd_trpdrv_offload.F ccsd_trpdrv_openacc.F moints_trp.F converting ccsd_itm.F to 32-bit integers for BLAS/LAPACK converting ccsd_itm_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_iterdrv2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx1.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx2.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx34.F to 32-bit integers for BLAS/LAPACK converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK converting ccsd_sortmo.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_nb.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp_mixprec.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvecs.F to 32-bit integers for BLAS/LAPACK converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK converting geaxpy.F to 32-bit integers for BLAS/LAPACK converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK converting aoccsd2.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_bgp2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_offload.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_openacc.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 vib_eckart.F vib_hmass.F vib_intense.F vib_nmass.F vib_tors.F vib_vib.F vib_wrtfreq.F vib_istep.F vib_thermo.F vib_phonon.F converting vib_eckart.F to 32-bit integers for BLAS/LAPACK converting vib_hmass.F to 32-bit integers for BLAS/LAPACK converting vib_intense.F to 32-bit integers for BLAS/LAPACK converting vib_nmass.F to 32-bit integers for BLAS/LAPACK converting vib_tors.F to 32-bit integers for BLAS/LAPACK converting vib_vib.F to 32-bit integers for BLAS/LAPACK converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK converting vib_istep.F to 32-bit integers for BLAS/LAPACK converting vib_thermo.F to 32-bit integers for BLAS/LAPACK converting vib_phonon.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F mcscf.F converting hmat.F to 32-bit integers for BLAS/LAPACK converting mcscf_aux.F to 32-bit integers for BLAS/LAPACK converting mcscf_b.F to 32-bit integers for BLAS/LAPACK converting mcscf_debug.F to 32-bit integers for BLAS/LAPACK converting mcscf_fock.F to 32-bit integers for BLAS/LAPACK converting mcscf_ohvmo.F to 32-bit integers for BLAS/LAPACK converting mcscf_orb.F to 32-bit integers for BLAS/LAPACK converting mcscf_prcnd.F to 32-bit integers for BLAS/LAPACK converting mcscf.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in detci make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 detci_aux.F detci_dens.F detci_diag.F detci_sigma.F detci_spin.F converting detci_aux.F to 32-bit integers for BLAS/LAPACK converting detci_dens.F to 32-bit integers for BLAS/LAPACK converting detci_diag.F to 32-bit integers for BLAS/LAPACK converting detci_sigma.F to 32-bit integers for BLAS/LAPACK converting detci_spin.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 esp_esp.F esp_denmat.F converting esp_esp.F to 32-bit integers for BLAS/LAPACK converting esp_denmat.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hess_blas.F converting hess_blas.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in analytic make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 onedd_calc.F hess_restart.F shell_fock_build.F shell_fock_build_cam.F twodd_cont.F converting onedd_calc.F to 32-bit integers for BLAS/LAPACK converting hess_restart.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK converting twodd_cont.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 xc_cpks_coeff.F xc_d2expl.F xc_nucder_gen.F converting xc_cpks_coeff.F to 32-bit integers for BLAS/LAPACK converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 davids.F fcidim.F makeh.F makehs.F makhdb.F tester.F selci_hpp.F couple.c converting davids.F to 32-bit integers for BLAS/LAPACK converting fcidim.F to 32-bit integers for BLAS/LAPACK converting makeh.F to 32-bit integers for BLAS/LAPACK converting makehs.F to 32-bit integers for BLAS/LAPACK converting makhdb.F to 32-bit integers for BLAS/LAPACK converting tester.F to 32-bit integers for BLAS/LAPACK converting selci_hpp.F to 32-bit integers for BLAS/LAPACK converting couple.c to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dplot.F dmat.F create_contour.F get_charges.F dplot_dos.F converting dplot.F to 32-bit integers for BLAS/LAPACK converting dmat.F to 32-bit integers for BLAS/LAPACK converting create_contour.F to 32-bit integers for BLAS/LAPACK converting get_charges.F to 32-bit integers for BLAS/LAPACK converting dplot_dos.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mp2_energy.F mp2_lai_uhf.F mp2_make_tuhf.F mp2_pijab_uhf.F mp2_wai_uhf.F mp2_wijab_uhf.F mp2_back_transform.F mp2_read_tiajb.F converting mp2_energy.F to 32-bit integers for BLAS/LAPACK converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F hnd_eldmap_grid.F ibo_localization.F converting hnd_elfcon.F to 32-bit integers for BLAS/LAPACK converting wnbofile.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK converting hnd_mulken.F to 32-bit integers for BLAS/LAPACK converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK converting giaofock.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK converting raman.F to 32-bit integers for BLAS/LAPACK converting hnd_efgmap_z4.F to 32-bit integers for BLAS/LAPACK converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK converting wshldfile.F to 32-bit integers for BLAS/LAPACK converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK converting whypfile.F to 32-bit integers for BLAS/LAPACK converting wefgfile.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK converting wgshiftfile.F to 32-bit integers for BLAS/LAPACK converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK converting hnd_eldmap_grid.F to 32-bit integers for BLAS/LAPACK converting ibo_localization.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hnd_cosmo_lib.F cosmo_lebedev.F cosmo_thomson.F grad_hnd_cos.F hnd_coschg.F converting hnd_cosmo_lib.F to 32-bit integers for BLAS/LAPACK converting cosmo_lebedev.F to 32-bit integers for BLAS/LAPACK converting cosmo_thomson.F to 32-bit integers for BLAS/LAPACK converting grad_hnd_cos.F to 32-bit integers for BLAS/LAPACK converting hnd_coschg.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies USE_OPENMP undefined USE_OPENMP undefined Making 64_to_32 in nwpwlib make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in Parallel make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 Parallel-mpi.F Parallel.F converting Parallel-mpi.F to 32-bit integers for BLAS/LAPACK converting Parallel.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Making 64_to_32 in D1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 D1dB-mpi.F D1dBs-mpi.F Dne.F skew.F Dne_omp.F Dnex.F converting D1dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D1dBs-mpi.F to 32-bit integers for BLAS/LAPACK converting Dne.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting Dne_omp.F to 32-bit integers for BLAS/LAPACK converting Dnex.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Making 64_to_32 in D3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 D3dB-new.F D3dB_pfft.F D3dB-mpi.F D3dB-tcgmsg.F D3dBs-new.F D3dBs_pfft.F D3dBs-mpi.F converting D3dB-new.F to 32-bit integers for BLAS/LAPACK converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting D3dBs-new.F to 32-bit integers for BLAS/LAPACK converting D3dBs_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dBs-mpi.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Making 64_to_32 in Pneb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 Pneb.F converting Pneb.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Making 64_to_32 in K1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 K1dB-mpi.F converting K1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Making 64_to_32 in C1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 C1dB-mpi.F converting C1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Making 64_to_32 in C3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 C3dB-new.F C3dB_pfft.F C3dB-tcgmsg.F C3dB-mpi.F converting C3dB-new.F to 32-bit integers for BLAS/LAPACK converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Making 64_to_32 in DMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 DMatrix-mpi.F DMatrix.F DMatrix-tcgmsg.F converting DMatrix-mpi.F to 32-bit integers for BLAS/LAPACK converting DMatrix.F to 32-bit integers for BLAS/LAPACK converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Making 64_to_32 in CMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 CMatrix.F CMatrix-tcgmsg.F CMatrix-mpi.F converting CMatrix.F to 32-bit integers for BLAS/LAPACK converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Making 64_to_32 in TMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dgemm_omp.F sgemm_omp.F ffm_multiply_omp_group.F zgemm_omp.F ffw_multiply_omp_group.F converting dgemm_omp.F to 32-bit integers for BLAS/LAPACK converting sgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffm_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK converting zgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffw_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Making 64_to_32 in control make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 control.F converting control.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Making 64_to_32 in lattice make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 lattice.f pack.F G_init.F cram.F c_G_init.F converting lattice.f to 32-bit integers for BLAS/LAPACK converting pack.F to 32-bit integers for BLAS/LAPACK converting G_init.F to 32-bit integers for BLAS/LAPACK converting cram.F to 32-bit integers for BLAS/LAPACK converting c_G_init.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Making 64_to_32 in io make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Making 64_to_32 in ion make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ion.F fcoord.f incell1.f incell2.f incell3.f unfold.f seperate_molpsp.F seperate_pointcharge.F ion_FixIon.F ion_scaling_atoms.F converting ion.F to 32-bit integers for BLAS/LAPACK converting fcoord.f to 32-bit integers for BLAS/LAPACK converting incell1.f to 32-bit integers for BLAS/LAPACK converting incell2.f to 32-bit integers for BLAS/LAPACK converting incell3.f to 32-bit integers for BLAS/LAPACK converting unfold.f to 32-bit integers for BLAS/LAPACK converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK converting ion_FixIon.F to 32-bit integers for BLAS/LAPACK converting ion_scaling_atoms.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in shake make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 molecular.F converting molecular.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making 64_to_32 in pseudopotential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in paw_atom make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Making 64_to_32 in utilities make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 auto_corr.F matrix.f nwpw_scf_mixing.F kerker_G.F cell.F cellgeometry.F nwpw_list.F cpsi_data.F psi_data.F nwpw_diis.F nwpw_kain.F nwpw_matrix_invert.F generate_unfolded_xyz.F nwpw_fftpack3d.F nwpw_kbpp_ray.F paw_utilities/nwpw_compcharge2.F task_paulsmatrix.F converting auto_corr.F to 32-bit integers for BLAS/LAPACK converting matrix.f to 32-bit integers for BLAS/LAPACK converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK converting kerker_G.F to 32-bit integers for BLAS/LAPACK converting cell.F to 32-bit integers for BLAS/LAPACK converting cellgeometry.F to 32-bit integers for BLAS/LAPACK converting nwpw_list.F to 32-bit integers for BLAS/LAPACK converting cpsi_data.F to 32-bit integers for BLAS/LAPACK converting psi_data.F to 32-bit integers for BLAS/LAPACK converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK converting generate_unfolded_xyz.F to 32-bit integers for BLAS/LAPACK converting nwpw_fftpack3d.F to 32-bit integers for BLAS/LAPACK converting nwpw_kbpp_ray.F to 32-bit integers for BLAS/LAPACK converting paw_utilities/nwpw_compcharge2.F to 32-bit integers for BLAS/LAPACK converting task_paulsmatrix.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in paw_utilities make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nwpw_gaunt.F nwpw_compcharge.F nwpw_xc.F nwpw_gintegrals.F nwpw_gintegrals2.F nwpw_gintegrals3.F converting nwpw_gaunt.F to 32-bit integers for BLAS/LAPACK converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals2.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making 64_to_32 in unitcell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Making 64_to_32 in brillouin_zone make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Making 64_to_32 in fractional make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 fractional.F frac_occ.F converting fractional.F to 32-bit integers for BLAS/LAPACK converting frac_occ.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Making 64_to_32 in linesearch make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Making 64_to_32 in timing make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nwpw_timing.F converting nwpw_timing.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Making 64_to_32 in ewald make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ewald.F ewald_strfac.F converting ewald.F to 32-bit integers for BLAS/LAPACK converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Making 64_to_32 in thermostats make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nose-hoover.F converting nose-hoover.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Making 64_to_32 in MetaDynamics make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 metadynamics.F converting metadynamics.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Making 64_to_32 in TAMD make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tamd.F converting tamd.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Making 64_to_32 in FMM make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 fmm.F converting fmm.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Making 64_to_32 in md_xs make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 md_xs.F converting md_xs.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in FEFF6L make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making 64_to_32 in nwpwxc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nwpwxc_vdw3c.F nwpwxc_eval.F nwpwxc_c_vwn_a.fh converting nwpwxc_vdw3c.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_eval.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_c_vwn_a.fh to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making 64_to_32 in libraryps make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Making 64_to_32 in pspw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 psi.F geodesic.F geodesic2.F Grassman.F dipole.F psi_history.F skew.F geodesic1.F berry_phase_pol.F psi_dmatrix.F rho_symmetrizer.F polarizability.F dipole.F dipole_efield.F converting psi.F to 32-bit integers for BLAS/LAPACK converting geodesic.F to 32-bit integers for BLAS/LAPACK converting geodesic2.F to 32-bit integers for BLAS/LAPACK converting Grassman.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting psi_history.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting geodesic1.F to 32-bit integers for BLAS/LAPACK converting berry_phase_pol.F to 32-bit integers for BLAS/LAPACK converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK converting rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK converting polarizability.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting dipole_efield.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Making 64_to_32 in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 electron.F psi_H.F psi_Hv4.F converting electron.F to 32-bit integers for BLAS/LAPACK converting psi_H.F to 32-bit integers for BLAS/LAPACK converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Making 64_to_32 in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ke.F converting ke.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Making 64_to_32 in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 coulomb.F coulomb2.F coulomb_screened.F coulomb_screened_small.F converting coulomb.F to 32-bit integers for BLAS/LAPACK converting coulomb2.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened_small.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Making 64_to_32 in exchange-correlation make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 v_bwexc_euv.F v_bwexc.F nwpw_meta_gga.F v_mexc.F converting v_bwexc_euv.F to 32-bit integers for BLAS/LAPACK converting v_bwexc.F to 32-bit integers for BLAS/LAPACK converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK converting v_mexc.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in vdw-DF make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 vdw-DF.F vdw_DF_kernel.F converting vdw-DF.F to 32-bit integers for BLAS/LAPACK converting vdw_DF_kernel.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making 64_to_32 in sic make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_sic.F converting pspw_sic.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Making 64_to_32 in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_hfx.F pspw_shfx.F pspw_hfx_localized.F converting pspw_hfx.F to 32-bit integers for BLAS/LAPACK converting pspw_shfx.F to 32-bit integers for BLAS/LAPACK converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Making 64_to_32 in ion make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Making 64_to_32 in psp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 psp.F psp_olddebug.F paw.F semicore.F semicore_force.F psp_stress.F semicore_force_a.F semicore_force_b.F psp_U.F psp_ld.F converting psp.F to 32-bit integers for BLAS/LAPACK converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK converting paw.F to 32-bit integers for BLAS/LAPACK converting semicore.F to 32-bit integers for BLAS/LAPACK converting semicore_force.F to 32-bit integers for BLAS/LAPACK converting psp_stress.F to 32-bit integers for BLAS/LAPACK converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting psp_U.F to 32-bit integers for BLAS/LAPACK converting psp_ld.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Making 64_to_32 in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_lmbfgs.F pspw_lmbfgs2.F pspw_diis.F pspw_Grsm_list.F pspw_rmmdiis.F converting pspw_lmbfgs.F to 32-bit integers for BLAS/LAPACK converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK converting pspw_diis.F to 32-bit integers for BLAS/LAPACK converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting pspw_rmmdiis.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Making 64_to_32 in aorbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 aorbs.F converting aorbs.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Making 64_to_32 in truncating_function make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 truncating_function.F converting truncating_function.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making 64_to_32 in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 setup_kbpp.f integrate_kbppv3.f integrate_kbppv3d.f integrate_kbpp_orb.F integrate_stress.F integrate_d_stress.F HGH_local.F HGH_nonlocal.F Tesseral.F hghppv1.F pawppv1.F integrate_kbppv3d_new.f integrate_kbppv3_new.f integrate_d_stress_new.F integrate_pawppv1.F junk.f integrate_kbppv3_ray.f integrate_stress_new.F integrate_stress_ray.F integrate_paw_ray.F integrate_kbppv3e.f integrate_kbppv3e_new.f integrate_kbppv3e_ray.f kbppv3e_stress.F integrate_e_stress.F integrate_e_stress_new.F integrate_e_stress_ray.F kbppv3d.F converting setup_kbpp.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK converting integrate_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK converting HGH_local.F to 32-bit integers for BLAS/LAPACK converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral.F to 32-bit integers for BLAS/LAPACK converting hghppv1.F to 32-bit integers for BLAS/LAPACK converting pawppv1.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_new.f to 32-bit integers for BLAS/LAPACK converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK converting junk.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_ray.f to 32-bit integers for BLAS/LAPACK converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK converting kbppv3d.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Making 64_to_32 in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 wvfnc_init.F v_wvfnc_init.F wvfnc_expander.F v_wvfnc_new.F wvfnc_new.F silvestrelli_minimize.F expand_cell.F wvfnc_expand_cell.F band_reformat_c_wvfnc.F wvfnc_adjust.F silvestrelli_minimize_old.F makenodefunctions.F pspw_wannier2.F pspw_wannier.F converting wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK converting expand_cell.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK converting band_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK converting makenodefunctions.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier2.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Making 64_to_32 in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 psi_lmbda.f psi_lmbda2.f psi_lmbda3.f psi_lmbda_sic.f psi_lmbda_paw.f inner_loop.F inner_loop_md.F cpsdv5.F cpmdv5.F psi_lmbda2.f psi_lmbda_omp.F mmsdv1.F inner_loop_qmmm_step.F cpmd_qmmm_start.F cpmd_qmmm_stop.F mm_loop.F pspw_et.F cprmdv1.F inner_loop_cprmd.F runsocket.F converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_paw.f to 32-bit integers for BLAS/LAPACK converting inner_loop.F to 32-bit integers for BLAS/LAPACK converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK converting cpsdv5.F to 32-bit integers for BLAS/LAPACK converting cpmdv5.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK converting mmsdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_qmmm_step.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_start.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK converting mm_loop.F to 32-bit integers for BLAS/LAPACK converting pspw_et.F to 32-bit integers for BLAS/LAPACK converting cprmdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_cprmd.F to 32-bit integers for BLAS/LAPACK converting runsocket.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Making 64_to_32 in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cgsdv5.F cgmdv5.F cgmontecarlov1.F cgoptimize1.F cgsd_energy.F bybminimize.F bybminimize2.F pspw_bq_gradient.F cgminimize.F mmmdv1.F bfgsminimize2.F bfgsminimize3.F md_energy.F cgminimize2.F cgminimizeABC.F cgsd_noit_energy.F bfgsminimize.F bfgsminimizeABC.F converting cgsdv5.F to 32-bit integers for BLAS/LAPACK converting cgmdv5.F to 32-bit integers for BLAS/LAPACK converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK converting cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting bybminimize.F to 32-bit integers for BLAS/LAPACK converting bybminimize2.F to 32-bit integers for BLAS/LAPACK converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK converting cgminimize.F to 32-bit integers for BLAS/LAPACK converting mmmdv1.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK converting md_energy.F to 32-bit integers for BLAS/LAPACK converting cgminimize2.F to 32-bit integers for BLAS/LAPACK converting cgminimizeABC.F to 32-bit integers for BLAS/LAPACK converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting bfgsminimizeABC.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Making 64_to_32 in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_Lubin_water_analysis.F pspw_atom_analysis.F analysis.F orb_pop_kawai.F orb_pop_aorb.F converting pspw_Lubin_water_analysis.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK converting analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK converting orb_pop_aorb.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_APC.F pspw_atom_Efield.F pspw_atom_Efield_grad.F converting pspw_APC.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield_grad.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making 64_to_32 in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 update_unitcell.F stress_fd.F force_fd.F converting update_unitcell.F to 32-bit integers for BLAS/LAPACK converting stress_fd.F to 32-bit integers for BLAS/LAPACK converting force_fd.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Making 64_to_32 in qmmm make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_qmmm.F converting pspw_qmmm.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in pspw_LJ make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_LJ.F converting pspw_LJ.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Making 64_to_32 in pspw_Q make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_Q.F converting pspw_Q.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Making 64_to_32 in pspw_Pair make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_Pair.F converting pspw_Pair.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Making 64_to_32 in mmq make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mmq.F converting mmq.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making 64_to_32 in charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_charge.F pspw_efield.F pspw_cosmo.F converting pspw_charge.F to 32-bit integers for BLAS/LAPACK converting pspw_efield.F to 32-bit integers for BLAS/LAPACK converting pspw_cosmo.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Making 64_to_32 in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_dplot.F ELF.F converting pspw_dplot.F to 32-bit integers for BLAS/LAPACK converting ELF.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Making 64_to_32 in lcao make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 lcao_diis_dn.F lcao_init_dn.F lcao_new_dn.F lcao_new_mix_dn.F lcao_generate_vhxcmatrix.F lcao_diis.F lcaov1.F wvfnc_new_lcao_density.F converting lcao_diis_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_generate_vhxcmatrix.F to 32-bit integers for BLAS/LAPACK converting lcao_diis.F to 32-bit integers for BLAS/LAPACK converting lcaov1.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new_lcao_density.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Making 64_to_32 in paw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in paw_geometry make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' Making 64_to_32 in paw_ma make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Making 64_to_32 in paw_utils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 integrate.F converting integrate.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Making 64_to_32 in paw_basis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Making 64_to_32 in paw_proj make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_proj.F converting paw_proj.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Making 64_to_32 in paw_matrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Making 64_to_32 in paw_ovlp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_overlap_matrix.F paw_ovlp.F converting paw_overlap_matrix.F to 32-bit integers for BLAS/LAPACK converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Making 64_to_32 in paw_comp_charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Making 64_to_32 in paw_special_functions make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Making 64_to_32 in paw_gaunt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Making 64_to_32 in paw_kinetic make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Making 64_to_32 in paw_vloc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_vloc.F converting paw_vloc.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Making 64_to_32 in paw_ion_potential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Making 64_to_32 in paw_core make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Making 64_to_32 in paw_hartree make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_pot_hartree.F paw_matrix_hartree.F converting paw_pot_hartree.F to 32-bit integers for BLAS/LAPACK converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Making 64_to_32 in paw_comp_pot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Making 64_to_32 in paw_mult make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_mult.F paw_mult_interaction.F paw_mult_energy.F converting paw_mult.F to 32-bit integers for BLAS/LAPACK converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Making 64_to_32 in paw_nonlocal make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_nonlocal.F converting paw_nonlocal.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Making 64_to_32 in paw_density make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_density.F converting paw_density.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Making 64_to_32 in paw_xc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_xc.F converting paw_xc.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Making 64_to_32 in paw_force make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_force.F converting paw_force.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Making 64_to_32 in paw_Grsm_list make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_Grsm_list.F paw_lmbfgs.F converting paw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Making 64_to_32 in paw_psi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_psi.F paw_geodesic.F paw_electron.F paw_psi2.F converting paw_psi.F to 32-bit integers for BLAS/LAPACK converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK converting paw_electron.F to 32-bit integers for BLAS/LAPACK converting paw_psi2.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Making 64_to_32 in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_sd.F paw_inner_loop.F paw_cpmd.F paw_inner_loop_md.F converting paw_sd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Making 64_to_32 in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_bfgsminimize.F paw_minimizer.F paw_cgsd_energy.F paw_cgminimize.F converting paw_bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Making 64_to_32 in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_stress_fd.F paw_update_unitcell.F converting paw_stress_fd.F to 32-bit integers for BLAS/LAPACK converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Making 64_to_32 in band make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_minimizer.F c_cgsd_energy.F c_cgsd_energy_gradient.F c_bybminimize.F c_bybminimize2.F c_cgsd_energy_stress.F converting band_minimizer.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize2.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Making 64_to_32 in structure make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_structure.F band_interpolate_structure.F band_kp_structure.F band_fft_structure.F converting band_structure.F to 32-bit integers for BLAS/LAPACK converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Making 64_to_32 in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_sd.F band_cpmd.F band_inner_loop.F band_inner_loop_md.F converting band_sd.F to 32-bit integers for BLAS/LAPACK converting band_cpmd.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Making 64_to_32 in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_stress_fd.F band_update_unitcell.F converting band_stress_fd.F to 32-bit integers for BLAS/LAPACK converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Making 64_to_32 in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 kbpp_band.F kbpp_band_orb.F setup_kbpp_band.f integrate_kbpp_band_local.F integrate_kbpp_band_nonlocal.F integrate_kbpp_band_orb.F kbpp_band_stress.F integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F HGH_band_local.F HGH_band_nonlocal.F Tesseral_band.F Spherical_band.F hghpp_band.F integrate_kbpp_band_ray.F integrate_kbpp_band_stress_ray.F rkbpp_band.F integrate_kbpp_band_local_new.F integrate_kbpp_e_band_local_new.F integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_nonlocal_new.F kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F integrate_kbpp_e_band_local.F integrate_kbpp_e_band_ray.F kbpp_e_band_stress.F integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F converting kbpp_band.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK converting Spherical_band.F to 32-bit integers for BLAS/LAPACK converting hghpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting rkbpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Making 64_to_32 in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_reformat_c_wvfnc.F c_wvfnc_new.F c_wvfnc_expander.F c_v_wvfnc_new.F c_wvfnc_adjust.F converting pspw_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Making 64_to_32 in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in cpsp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cpsp.F cpsp_stress.F c_semicore.F cpsp_projector.F c_semicore_force_a.F c_semicore_force_b.F cpsp_relativistic.F cpsp_U.F converting cpsp.F to 32-bit integers for BLAS/LAPACK converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK converting c_semicore.F to 32-bit integers for BLAS/LAPACK converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK converting cpsp_U.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Making 64_to_32 in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cke.F converting cke.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Making 64_to_32 in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 c_coulomb.F c_coulomb_screened.F converting c_coulomb.F to 32-bit integers for BLAS/LAPACK converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Making 64_to_32 in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 c_electron.F psi_lmbda.f cpsi_H.F converting c_electron.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting cpsi_H.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Making 64_to_32 in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cpsi.F c_geodesic.F c_geodesic2.F cpsi_lmbda.F cpsi_lmbda2.F BGrsm.F cpsi_KS.F cpsi_read.F cpsi_write.F v_cpsi_read.F v_cpsi_write.F c_rho_symmetrizer.F converting cpsi.F to 32-bit integers for BLAS/LAPACK converting c_geodesic.F to 32-bit integers for BLAS/LAPACK converting c_geodesic2.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda2.F to 32-bit integers for BLAS/LAPACK converting BGrsm.F to 32-bit integers for BLAS/LAPACK converting cpsi_KS.F to 32-bit integers for BLAS/LAPACK converting cpsi_read.F to 32-bit integers for BLAS/LAPACK converting cpsi_write.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_write.F to 32-bit integers for BLAS/LAPACK converting c_rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Making 64_to_32 in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_hfx.F converting band_hfx.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Making 64_to_32 in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_Grsm_list.F band_lmbfgs.F converting band_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Making 64_to_32 in borbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 borbs.F borb_projector.F converting borbs.F to 32-bit integers for BLAS/LAPACK converting borb_projector.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making 64_to_32 in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_dplot.F converting band_dplot.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Making 64_to_32 in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_analysis.F orb_pop_borb.F converting band_analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_APC.F band_atom_Efield.F converting band_APC.F to 32-bit integers for BLAS/LAPACK converting band_atom_Efield.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making 64_to_32 in ofpw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ofpw_minimizer.F ofpw_cgsd_energy.F ofpw_cgminimize.F converting ofpw_minimizer.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Making 64_to_32 in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ofpwsd.F inner_loop_ofpw.F chi_lmbda.f converting ofpwsd.F to 32-bit integers for BLAS/LAPACK converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Making 64_to_32 in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in chi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Making 64_to_32 in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 chi_H.F chi_Hv4.F converting chi_H.F to 32-bit integers for BLAS/LAPACK converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Making 64_to_32 in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 v_thomasfermi.F converting v_thomasfermi.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Making 64_to_32 in WGC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 wgc.F converting wgc.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in pfft1.0 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making 64_to_32 in fftpack make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Making 64_to_32 in pfft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 drain.F fillup.F converting drain.F to 32-bit integers for BLAS/LAPACK converting fillup.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making 64_to_32 in pfftwrap make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/python3.11 -I/usr/include/python3.11 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nwc_gen.F nwc_s2.F nwc_s1.F converting nwc_gen.F to 32-bit integers for BLAS/LAPACK converting nwc_s2.F to 32-bit integers for BLAS/LAPACK converting nwc_s1.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 vscf.F converting vscf.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 task_qmmm_gradient.F qmmm_lbfgsb.F mm_interface.F converting task_qmmm_gradient.F to 32-bit integers for BLAS/LAPACK converting qmmm_lbfgsb.F to 32-bit integers for BLAS/LAPACK converting mm_interface.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 qmd_ext.F converting qmd_ext.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tce_mbpt2.F tce_residual_t1.F tce_residual_t2.F tce_residual_t3.F tce_residual_t4.F tce_residual_t3a.F tce_ao2e.F tce_mo2e.F tce_guess_t1.F tce_mod1.F tce_eom_xdiagon.F dscalfile.F tce_eom_ydiagon.F tce_ao1e.F tce_aod1.F tce_mo1e.F tce_mo2e_zones_4a_disk_ga.F tce_mo2e_zones_4a_disk_ga_chop.F tce_mo2e_zones_4a_disk_4s_new_patch.F tce_mo2e_zones_4a_disk_2s_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m2.F tce_mo2e_2emet3.F tce_mo2e_2emet3_n5.F tce_mo2e_2emet4.F tce_mo2e_2emet4_n5.F tce_mo2e_disk_2eorb.F tce_mo2e_incore_2eorb.F tce_mo2e_incore_2eorb_split.F tce_mo2e_hybrid_2eorb_split.F tce_diagnose_t1.F ddotfile.F tce_ao2e_cholesky.F tce_energy.F ccsd_lr_alpha.F tensor_read_write.F tce_diis_act.F tce_mo2e_zones_4a_disk_ga_act.F tce_mo2e_zones_4a_disk_ga_chop_act.F ccsd_qr_beta.F daxpyfile.F tce_ao2e_cholesky_orb.F tce_ao2e_disk.F tce_ao2e_new.F tce_dgeev.F tce_mo2e_disk.F tce_mo2e_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m3.F tce_mo2e_zones_4a_disk_ga_N5.F tce_mo2e_zones_4a_disk_ga_chop_N5.F tce_mod1_new.F new_ga4ind_N5.F new4ind_N5_osu.F tce_read_t.F converting tce_mbpt2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t1.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t4.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3a.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e.F to 32-bit integers for BLAS/LAPACK converting tce_guess_t1.F to 32-bit integers for BLAS/LAPACK converting tce_mod1.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon.F to 32-bit integers for BLAS/LAPACK converting dscalfile.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ydiagon.F to 32-bit integers for BLAS/LAPACK converting tce_ao1e.F to 32-bit integers for BLAS/LAPACK converting tce_aod1.F to 32-bit integers for BLAS/LAPACK converting tce_mo1e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_2s_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m2.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_hybrid_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_diagnose_t1.F to 32-bit integers for BLAS/LAPACK converting ddotfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky.F to 32-bit integers for BLAS/LAPACK converting tce_energy.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_alpha.F to 32-bit integers for BLAS/LAPACK converting tensor_read_write.F to 32-bit integers for BLAS/LAPACK converting tce_diis_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_act.F to 32-bit integers for BLAS/LAPACK converting ccsd_qr_beta.F to 32-bit integers for BLAS/LAPACK converting daxpyfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky_orb.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_dgeev.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mod1_new.F to 32-bit integers for BLAS/LAPACK converting new_ga4ind_N5.F to 32-bit integers for BLAS/LAPACK converting new4ind_N5_osu.F to 32-bit integers for BLAS/LAPACK converting tce_read_t.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' Making 64_to_32 in diis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tce_diis.F converting tce_diis.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Making 64_to_32 in diis2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tce_diis2.F converting tce_diis2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Making 64_to_32 in gradients make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_1pdm_hh_mo.F ccsd_1pdm_pp_mo.F ccsd_1pdm_hp_mo.F ccsd_1pdm_ph_mo.F ccsd_2pdm_hhhh_mo.F ccsd_2pdm_hhhp_mo.F ccsd_2pdm_hhpp_mo.F ccsd_2pdm_hphh_mo.F ccsd_2pdm_hphp_mo.F ccsd_2pdm_hppp_mo.F ccsd_2pdm_pphh_mo.F ccsd_2pdm_pphp_mo.F ccsd_2pdm_pppp_mo.F zvec_x_a_a.F zvec_x_a_b_a.F zvec_x_a_b_b.F zvec_x_a_c_a.F zvec_x_a_c_b.F zvec_x_a_d.F zvec_x_a_e_a.F zvec_x_a_e_b.F zvec_x_a_f_a.F zvec_x_a_f_b.F zvec_x_b_a_a.F zvec_x_b_a_b.F zvec_x_b_b_a.F zvec_x_b_b_b.F zvec_x_b_c.F zvec_x_b_d_a.F zvec_x_b_d_b.F zvec_x_b_e_a.F zvec_x_b_e_b.F zvec_x_b_f.F zvec_x_c_a.F zvec_x_c_b.F ccsd_zvec.F wdm_hh_mo_a.F wdm_hh_mo_b_a_a.F wdm_hh_mo_b_a_b.F wdm_hh_mo_b_b_a.F wdm_hh_mo_b_b_b.F wdm_hh_mo_c_a.F wdm_hh_mo_c_b_a.F wdm_hh_mo_c_b_b.F wdm_hh_mo_c_c_a.F wdm_hh_mo_c_c_b.F wdm_hh_mo_c_d.F wdm_hh_mo_c_e_a.F wdm_hh_mo_c_e_b.F wdm_hh_mo_c_f_a.F wdm_hh_mo_c_f_b.F wdm_hh_mo_d.F wdm_hp_mo_a.F wdm_hp_mo_b_a_a.F wdm_hp_mo_b_a_b.F wdm_hp_mo_b_b_a.F wdm_hp_mo_b_b_b.F wdm_hp_mo_b_c.F wdm_hp_mo_b_d_a.F wdm_hp_mo_b_d_b.F wdm_hp_mo_b_e_a.F wdm_hp_mo_b_e_b.F wdm_hp_mo_b_f.F wdm_hp_mo_c.F wdm_pp_mo_a.F wdm_pp_mo_b_a_a.F wdm_pp_mo_b_a_b.F wdm_pp_mo_b_b_a.F wdm_pp_mo_b_b_b.F wdm_pp_mo_b_c.F wdm_pp_mo_b_d_a.F wdm_pp_mo_b_d_b.F wdm_pp_mo_b_e_a.F wdm_pp_mo_b_e_b.F wdm_pp_mo_b_f.F eomccsd_1pdm_hh_mo.F eomccsd_1pdm_pp_mo.F tce_eomccsd_1prdm.F eomccsd_2pdm_hhhh_mo.F eomccsd_2pdm_hhhp_mo.F eomccsd_2pdm_hhpp_mo.F eomccsd_2pdm_hphh_mo.F eomccsd_2pdm_hphp_mo.F eomccsd_2pdm_hppp_mo.F eomccsd_2pdm_pphh_mo.F eomccsd_2pdm_pphp_mo.F eomccsd_2pdm_pppp_mo.F eomccsd_z1.F eomccsd_z2.F eomccsd_2pdm_pphh_zvec_mo.F eomccsd_1pdm_hp_mo.F eomccsd_1pdm_ph_mo.F eomccsd_x1_grad.F eomccsd_x2_grad.F tce_eom_xdiagon_grad.F tce_cisdt_denominator.F cisdtq_2pdm_hhhh_mo.F cisdtq_2pdm_hphp_mo.F cisdtq_2pdm_hppp_mo.F cisdtq_2pdm_pphp_mo.F cisdtq_2pdm_pppp_mo.F mp4_1pdm_pp_mo_III_b.F tce_cis_denominator.F cisd_1pdm_hh_mo.F ccsdt_2pdm_hphh_mo.F ccsdt_2pdm_hhhp_mo.F mp3_1pdm_hh_mo.F ccsdt_2pdm_pphh_mo.F tce_cisdtq_denominator.F tce_mp4_t24.F cis_x1.F cisd_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_II.F cisd_2pdm_hphp_mo.F cisdtq_1pdm_hh_mo.F cisd_2pdm_hppp_mo.F cisd_2pdm_pphp_mo.F cis_1pdm_pp_mo.F cisd_2pdm_pppp_mo.F ccsdt_1pdm_pp_mo.F cisdt_1pdm_pp_mo.F mp4_2pdm_hphh_mo.F mp2_1pdm_hh_mo.F mp4_2pdm_pphh_mo.F ccsdtq_2pdm_hphh_mo.F ccsdtq_2pdm_hhhp_mo.F cis_2pdm_hphp_mo.F tce_cisd_denominator.F ccsdtq_2pdm_pphh_mo.F cisdt_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_III_a.F ccsdtq_1pdm_pp_mo.F cisdt_2pdm_hphp_mo.F btrans1.F cisdt_2pdm_hppp_mo.F cisdt_2pdm_pphp_mo.F cisdt_2pdm_pppp_mo.F cisdtq_2pdm_hphh_mo.F cisdtq_2pdm_hhhp_mo.F wdm_hp_mo_b_d_a.F cisdtq_2pdm_pphh_mo.F cisdtq_2pdm_hhpp_mo.F mp4_1pdm_hh_mo_III_b.F btrans2.F ccsdt_2pdm_hhhh_mo.F wdm_hp_mo_b_d_b.F ccsdt_2pdm_hphp_mo.F cisd_1pdm_pp_mo.F ccsdt_2pdm_hppp_mo.F ccsdt_2pdm_pphp_mo.F mp3_1pdm_pp_mo.F ccsdt_2pdm_pppp_mo.F tce_mp2_norm.F cisd_2pdm_hphh_mo.F cisd_2pdm_hhhp_mo.F cis_1pdm_hh_mo.F cisd_2pdm_pphh_mo.F cisd_2pdm_hhpp_mo.F wdm_hp_mo_b_e_a.F ccsdt_1pdm_hh_mo.F mp4_1pdm_pp_mo_II.F cisdt_1pdm_hh_mo.F cisdtq_1pdm_pp_mo.F ccsdt_1pdm_ph_mo.F mp4_2pdm_hhhh_mo.F cis_xdiagon.F mp4_2pdm_hphp_mo.F ccsdtq_2pdm_hhhh_mo.F mp4_2pdm_pphp_mo.F mp2_1pdm_pp_mo.F mp3_2pdm_hhhh_mo.F ccsdtq_1pdm_hh_mo.F mp4_2pdm_pppp_mo.F ccsdtq_2pdm_hphp_mo.F wdm_hp_mo_b_e_b.F ccsdtq_1pdm_ph_mo.F ccsdtq_2pdm_hppp_mo.F ccsdtq_2pdm_pphp_mo.F cisdt_2pdm_hphh_mo.F cisdt_2pdm_hhhp_mo.F mp3_2pdm_hphp_mo.F ccsdtq_2pdm_pppp_mo.F cisdt_2pdm_pphh_mo.F cisdt_2pdm_hhpp_mo.F mp4_1pdm_pp_mo_III_a.F mp3_2pdm_pppp_mo.F converting ccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_d.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_c.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_f.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_b.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvec.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_zvec_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_grad.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_grad.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon_grad.F to 32-bit integers for BLAS/LAPACK converting tce_cisdt_denominator.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting tce_cis_denominator.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisdtq_denominator.F to 32-bit integers for BLAS/LAPACK converting tce_mp4_t24.F to 32-bit integers for BLAS/LAPACK converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisd_denominator.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting btrans1.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting btrans2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_mp2_norm.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Making 64_to_32 in ccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_e.F ccsd_t1.F ccsd_t2.F cc2_t1.F cc2_t2.F ccsd_1prdm_hh.F ccsd_1prdm_hp.F ccsd_1prdm_ph.F ccsd_1prdm_pp.F ccsd_1prdm.F icsd_t1.F icsd_t2.F ccsd_t2_8.F ccsd_kernels.F sd_t2_8_loops.F converting ccsd_e.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2.F to 32-bit integers for BLAS/LAPACK converting cc2_t1.F to 32-bit integers for BLAS/LAPACK converting cc2_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting icsd_t1.F to 32-bit integers for BLAS/LAPACK converting icsd_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2_8.F to 32-bit integers for BLAS/LAPACK converting ccsd_kernels.F to 32-bit integers for BLAS/LAPACK converting sd_t2_8_loops.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Making 64_to_32 in ccsd_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_density1.F ccsd_lambda1_1.F ccsd_lambda1_2.F ccsd_lambda2.F ccsd_lambda1_mod.F converting ccsd_density1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_mod.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Making 64_to_32 in eomccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 eomccsd_x1.F eomccsd_x2.F eomccsd_y1.F eomccsd_y2.F eomccsd_denominator.F eomccsd_density1.F cc2_x1.F cc2_x2.F eomccsd_1prdm_hh.F eomccsd_1prdm_hp.F eomccsd_1prdm_ph.F eomccsd_1prdm_pp.F eomccsd_1prdm.F eomccsd_x1_old.F eomccsd_x2_old.F eomicsd_x1.F eomicsd_x2.F converting eomccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsd_density1.F to 32-bit integers for BLAS/LAPACK converting cc2_x1.F to 32-bit integers for BLAS/LAPACK converting cc2_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_old.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_old.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Making 64_to_32 in ccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_t_doubles.F ccsd_t_singles.F ccsd_t_doubles_l.F ccsd_t_singles_l.F lambda_ccsd_t_left.F ccsd2_q_left.F ccsd2_q_right.F ccsd2_t_left.F ccsdt2_q_left.F ccsdt2_q_right.F cr_ccsd_t_D.F cr_ccsd_t_E.F cr_ccsd_t_N.F lr_ccsd_tq.F cr_qcisd_t.F m2_dot_m1t1.F ccsd_t_singles_l_6dts.F ccsd_t_doubles_l_6dts.F ccsd_t.F converting ccsd_t_doubles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l.F to 32-bit integers for BLAS/LAPACK converting lambda_ccsd_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_right.F to 32-bit integers for BLAS/LAPACK converting ccsd2_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_right.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_D.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N.F to 32-bit integers for BLAS/LAPACK converting lr_ccsd_tq.F to 32-bit integers for BLAS/LAPACK converting cr_qcisd_t.F to 32-bit integers for BLAS/LAPACK converting m2_dot_m1t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Making 64_to_32 in cr-eomccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 c1_c1.F c2_c2.F c2excit2.F cr_eomccsd_t_n2_1_1_2_2.F cr_eomccsd_t_n2_1_1_2.F cr_eomccsd_t_n2_1_1_3.F cr_eomccsd_t_n2_1_1.F cr_eomccsd_t_n2_1_2.F cr_eomccsd_t_n2_1_3_1.F cr_eomccsd_t_n2_1_3_2_1.F cr_eomccsd_t_n2_1_3_2.F cr_eomccsd_t_n2_1_3_3.F cr_eomccsd_t_n2_1_3.F cr_eomccsd_t_n2_1_4_1.F cr_eomccsd_t_n2_1_4.F cr_eomccsd_t_n2_1_5_1.F cr_eomccsd_t_n2_1_5.F cr_eomccsd_t_n2_1_6_1.F cr_eomccsd_t_n2_1_6.F cr_eomccsd_t_n2_1_7_2.F cr_eomccsd_t_n2_1_7.F cr_eomccsd_t_n2_1_8_2.F cr_eomccsd_t_n2_1_8.F cr_eomccsd_t_n2_1_9.F cr_eomccsd_t_n2_1.F cr_eomccsd_t_n2_2_1_2.F cr_eomccsd_t_n2_2_1_3.F cr_eomccsd_t_n2_2_1_4.F cr_eomccsd_t_n2_2_1.F cr_eomccsd_t_n2_2.F cr_eomccsd_t_n2_3_1.F cr_eomccsd_t_n2_3_2_1.F cr_eomccsd_t_n2_3_2.F cr_eomccsd_t_n2_3_3_2.F cr_eomccsd_t_n2_3_3.F cr_eomccsd_t_n2_3_4.F cr_eomccsd_t_n2_3.F cr_eomccsd_t_n2_4_1_1.F cr_eomccsd_t_n2_4_1_2_1.F cr_eomccsd_t_n2_4_1_2.F cr_eomccsd_t_n2_4_1_3_1.F cr_eomccsd_t_n2_4_1_3.F cr_eomccsd_t_n2_4_1_4.F cr_eomccsd_t_n2_4_1.F cr_eomccsd_t_n2_4_2_2_2.F cr_eomccsd_t_n2_4_2_2.F cr_eomccsd_t_n2_4_2_3.F cr_eomccsd_t_n2_4_2_4.F cr_eomccsd_t_n2_4_2.F cr_eomccsd_t_n2_4.F cr_eomccsd_t_n2_5_2_2_2.F cr_eomccsd_t_n2_5_2_2.F cr_eomccsd_t_n2_5_2_3.F cr_eomccsd_t_n2_5_2.F cr_eomccsd_t_n2_5_3_2.F cr_eomccsd_t_n2_5_3.F cr_eomccsd_t_n2_5_4_2.F cr_eomccsd_t_n2_5_4.F cr_eomccsd_t_n2_5_5_2.F cr_eomccsd_t_n2_5_5.F cr_eomccsd_t_n2_5_6.F cr_eomccsd_t_n2_5.F cr_eomccsd_t_n2_6_2.F cr_eomccsd_t_n2_6_3_2.F cr_eomccsd_t_n2_6_3.F cr_eomccsd_t_n2_6_4.F cr_eomccsd_t_n2_6.F cr_s_m3.F nr0.F q3rexpt2.F t2t12.F creomccsd_t_n2_mem.F cr_eomccsd_t.F q3rexpt2_6dts.F creomccsd_t_n2_mem_6dts.F cr_eomccsd_t_6dts.F cr_ccsd_t_N_6dts.F cr_ccsd_t_E_6dts.F cr_eomccsd_t_6dts_d4d5_parallel.F converting c1_c1.F to 32-bit integers for BLAS/LAPACK converting c2_c2.F to 32-bit integers for BLAS/LAPACK converting c2excit2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_9.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6.F to 32-bit integers for BLAS/LAPACK converting cr_s_m3.F to 32-bit integers for BLAS/LAPACK converting nr0.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2.F to 32-bit integers for BLAS/LAPACK converting t2t12.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_6dts.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts_d4d5_parallel.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Making 64_to_32 in lrh make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Making 64_to_32 in emb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 c2vt1_s.F c1v.F converting c2vt1_s.F to 32-bit integers for BLAS/LAPACK converting c1v.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Making 64_to_32 in ccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccd_e.F ccd_t2.F converting ccd_e.F to 32-bit integers for BLAS/LAPACK converting ccd_t2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Making 64_to_32 in lccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 lccd_e.F lccd_t2.F converting lccd_e.F to 32-bit integers for BLAS/LAPACK converting lccd_t2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Making 64_to_32 in lccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 lccsd_e.F lccsd_t1.F lccsd_t2.F converting lccsd_e.F to 32-bit integers for BLAS/LAPACK converting lccsd_t1.F to 32-bit integers for BLAS/LAPACK converting lccsd_t2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Making 64_to_32 in qcisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 qcisd_e.F qcisd_t1.F qcisd_t2.F converting qcisd_e.F to 32-bit integers for BLAS/LAPACK converting qcisd_t1.F to 32-bit integers for BLAS/LAPACK converting qcisd_t2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Making 64_to_32 in cc3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cc3_t3.F ccsdt1b_t3.F ccsdt2_t3.F ccsdt3_t3.F eomccsdt1_x3.F eomcc3_x3.F eomccsdt3_x3.F cc3_lambda3.F converting cc3_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt1b_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt3_t3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt1_x3.F to 32-bit integers for BLAS/LAPACK converting eomcc3_x3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt3_x3.F to 32-bit integers for BLAS/LAPACK converting cc3_lambda3.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Making 64_to_32 in mbpt1 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mbpt1_t1.F mbpt1_t2.F converting mbpt1_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt1_t2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Making 64_to_32 in mbpt2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mbpt2_e.F mbpt2_t1.F mbpt2_t2_b.F mbpt2_t2.F mbpt2_t3.F mbpt2_t1_sd.F mbpt2_t2_sd.F mbpt2_t4.F converting mbpt2_e.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_b.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t3.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t4.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Making 64_to_32 in mbpt3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mbpt3_e.F mbpt3_t1.F mbpt3_t2.F mbpt3_t1_sd.F mbpt3_t2_sd.F converting mbpt3_e.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2_sd.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Making 64_to_32 in mbpt4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mbpt4_e.F converting mbpt4_e.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Making 64_to_32 in cis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cis_x1.F cis_xdiagon.F converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Making 64_to_32 in cisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cisd_c1.F cisd_c2.F cisd_e.F converting cisd_c1.F to 32-bit integers for BLAS/LAPACK converting cisd_c2.F to 32-bit integers for BLAS/LAPACK converting cisd_e.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Making 64_to_32 in cisdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cisdt_c1.F cisdt_c2.F cisdt_c3.F cisdt_e.F converting cisdt_c1.F to 32-bit integers for BLAS/LAPACK converting cisdt_c2.F to 32-bit integers for BLAS/LAPACK converting cisdt_c3.F to 32-bit integers for BLAS/LAPACK converting cisdt_e.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Making 64_to_32 in cisdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cisdtq_c1.F cisdtq_c2.F cisdtq_c3.F cisdtq_c4.F cisdtq_e.F converting cisdtq_c1.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c2.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c3.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c4.F to 32-bit integers for BLAS/LAPACK converting cisdtq_e.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Making 64_to_32 in ccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_ea.F ccsd_t1a.F ccsd_t2a.F diag1_act2.F diag2_act2.F converting ccsd_ea.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2a.F to 32-bit integers for BLAS/LAPACK converting diag1_act2.F to 32-bit integers for BLAS/LAPACK converting diag2_act2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Making 64_to_32 in eomccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 eomccsd_x1a.F eomccsd_x2a.F q2na_hc1.F converting eomccsd_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2a.F to 32-bit integers for BLAS/LAPACK converting q2na_hc1.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Making 64_to_32 in cr_eomccsd_t_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cr_ccsd_t_E_act.F q3rexpt2_act.F cr_ccsd_t_N_act.F creomccsd_t_n2_act_mem.F cr_eomt_simac.F ccsd_t_d_act.F cr_eomccsd_t_act.F cr_eomccsd_tasim.F converting cr_ccsd_t_E_act.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_act.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_act.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_act_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomt_simac.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_d_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_tasim.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Making 64_to_32 in sort make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Making 64_to_32 in ducc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 rot_vir.F map_hcore.F converting rot_vir.F to 32-bit integers for BLAS/LAPACK converting map_hcore.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' Making 64_to_32 in ucc4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ucc4_e_new.F ucc4_t1_new.F ucc4_t2.F ucc4_t2_t2_v_t.F ucc4_t3.F converting ucc4_e_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t1_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2_t2_v_t.F to 32-bit integers for BLAS/LAPACK converting ucc4_t3.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Making 64_to_32 in eaccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 eaccsd_x1.F eaccsd_x2.F tce_print_eax1.F tce_print_eax2.F tce_eax1_offset.F tce_eax2_offset.F tce_eom_eaxguess.F tce_jacobi_eax1.F tce_jacobi_eax2.F converting eaccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eaccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax2.F to 32-bit integers for BLAS/LAPACK converting tce_eax1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eax2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_eaxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' Making 64_to_32 in ipccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ipccsd_x1.F ipccsd_x2.F tce_print_ipx1.F tce_print_ipx2.F tce_ipx1_offset.F tce_ipx2_offset.F tce_eom_ipxguess.F tce_jacobi_ipx1.F tce_jacobi_ipx2.F converting ipccsd_x1.F to 32-bit integers for BLAS/LAPACK converting ipccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx2.F to 32-bit integers for BLAS/LAPACK converting tce_ipx1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_ipx2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ipxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' Making 64_to_32 in ccsdt_alpha_offdiag make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_lr_alpha_offdiag_10_1_1.F ccsdt_lr_alpha_offdiag_10_1.F ccsdt_lr_alpha_offdiag_10_2_1.F ccsdt_lr_alpha_offdiag_10_2.F ccsdt_lr_alpha_offdiag_10_3_1.F ccsdt_lr_alpha_offdiag_10_3.F ccsdt_lr_alpha_offdiag_10_4_1.F ccsdt_lr_alpha_offdiag_10_4.F ccsdt_lr_alpha_offdiag_10.F ccsdt_lr_alpha_offdiag_11_1_1.F ccsdt_lr_alpha_offdiag_11_1.F ccsdt_lr_alpha_offdiag_11_2_1.F ccsdt_lr_alpha_offdiag_11_2_2.F ccsdt_lr_alpha_offdiag_11_2.F ccsdt_lr_alpha_offdiag_11_3_1.F ccsdt_lr_alpha_offdiag_11_3.F ccsdt_lr_alpha_offdiag_11_4_1.F ccsdt_lr_alpha_offdiag_11_4.F ccsdt_lr_alpha_offdiag_11_5_1.F ccsdt_lr_alpha_offdiag_11_5.F ccsdt_lr_alpha_offdiag_1_1.F ccsdt_lr_alpha_offdiag_11.F ccsdt_lr_alpha_offdiag_12_10_1.F ccsdt_lr_alpha_offdiag_12_10_2_1.F ccsdt_lr_alpha_offdiag_12_10_2.F ccsdt_lr_alpha_offdiag_12_10_3_1.F ccsdt_lr_alpha_offdiag_12_10_3.F ccsdt_lr_alpha_offdiag_12_10.F ccsdt_lr_alpha_offdiag_12_11_1.F ccsdt_lr_alpha_offdiag_12_11_2.F ccsdt_lr_alpha_offdiag_12_1_1.F ccsdt_lr_alpha_offdiag_12_11.F ccsdt_lr_alpha_offdiag_12_12_1.F ccsdt_lr_alpha_offdiag_12_12.F ccsdt_lr_alpha_offdiag_12_13_1.F ccsdt_lr_alpha_offdiag_12_13.F ccsdt_lr_alpha_offdiag_12_14_1.F ccsdt_lr_alpha_offdiag_12_14.F ccsdt_lr_alpha_offdiag_12_15_1_1.F ccsdt_lr_alpha_offdiag_12_15_1.F ccsdt_lr_alpha_offdiag_12_15_2_1.F ccsdt_lr_alpha_offdiag_12_15_2.F ccsdt_lr_alpha_offdiag_12_15_3_1.F ccsdt_lr_alpha_offdiag_12_15_3.F ccsdt_lr_alpha_offdiag_12_15_4_1.F ccsdt_lr_alpha_offdiag_12_15_4.F ccsdt_lr_alpha_offdiag_12_15_5_1.F ccsdt_lr_alpha_offdiag_12_15_5.F ccsdt_lr_alpha_offdiag_12_15_6_1.F ccsdt_lr_alpha_offdiag_12_15_6.F ccsdt_lr_alpha_offdiag_12_15.F ccsdt_lr_alpha_offdiag_12_16_1_1.F ccsdt_lr_alpha_offdiag_12_16_1.F ccsdt_lr_alpha_offdiag_12_16_2_1.F ccsdt_lr_alpha_offdiag_12_16_2.F ccsdt_lr_alpha_offdiag_12_16.F ccsdt_lr_alpha_offdiag_12_17_1_1.F ccsdt_lr_alpha_offdiag_12_17_1.F ccsdt_lr_alpha_offdiag_12_17_2_1.F ccsdt_lr_alpha_offdiag_12_17_2.F ccsdt_lr_alpha_offdiag_12_17_3_1.F ccsdt_lr_alpha_offdiag_12_17_3.F ccsdt_lr_alpha_offdiag_12_17_4_1.F ccsdt_lr_alpha_offdiag_12_17_4.F ccsdt_lr_alpha_offdiag_12_17.F ccsdt_lr_alpha_offdiag_12_18_1_1.F ccsdt_lr_alpha_offdiag_12_18_1.F ccsdt_lr_alpha_offdiag_12_18_2_1.F ccsdt_lr_alpha_offdiag_12_18_2.F ccsdt_lr_alpha_offdiag_12_18.F ccsdt_lr_alpha_offdiag_12_19_1_1.F ccsdt_lr_alpha_offdiag_12_19_1.F ccsdt_lr_alpha_offdiag_12_19_2_1.F ccsdt_lr_alpha_offdiag_12_19_2.F ccsdt_lr_alpha_offdiag_12_19.F ccsdt_lr_alpha_offdiag_12_1.F ccsdt_lr_alpha_offdiag_12_2_1.F ccsdt_lr_alpha_offdiag_12_2_2.F ccsdt_lr_alpha_offdiag_12_2.F ccsdt_lr_alpha_offdiag_12_3_1.F ccsdt_lr_alpha_offdiag_12_3_2_1.F ccsdt_lr_alpha_offdiag_12_3_2.F ccsdt_lr_alpha_offdiag_12_3_3_1.F ccsdt_lr_alpha_offdiag_12_3_3.F ccsdt_lr_alpha_offdiag_12_3_4_1.F ccsdt_lr_alpha_offdiag_12_3_4.F ccsdt_lr_alpha_offdiag_12_3_5_1.F ccsdt_lr_alpha_offdiag_12_3_5.F ccsdt_lr_alpha_offdiag_12_3_6_1.F ccsdt_lr_alpha_offdiag_12_3_6.F ccsdt_lr_alpha_offdiag_12_3_7_1.F ccsdt_lr_alpha_offdiag_12_3_7.F ccsdt_lr_alpha_offdiag_12_3.F ccsdt_lr_alpha_offdiag_12_4_1.F ccsdt_lr_alpha_offdiag_12_4_2.F ccsdt_lr_alpha_offdiag_12_4.F ccsdt_lr_alpha_offdiag_12_5_1.F ccsdt_lr_alpha_offdiag_12_5.F ccsdt_lr_alpha_offdiag_12_6_1.F ccsdt_lr_alpha_offdiag_12_6.F ccsdt_lr_alpha_offdiag_12_7_1.F ccsdt_lr_alpha_offdiag_12_7.F ccsdt_lr_alpha_offdiag_12_8_1.F ccsdt_lr_alpha_offdiag_12_8.F ccsdt_lr_alpha_offdiag_12_9_1.F ccsdt_lr_alpha_offdiag_12_9_2.F ccsdt_lr_alpha_offdiag_12_9.F ccsdt_lr_alpha_offdiag_1_2.F ccsdt_lr_alpha_offdiag_12.F ccsdt_lr_alpha_offdiag_13_10_1.F ccsdt_lr_alpha_offdiag_13_10.F ccsdt_lr_alpha_offdiag_13_11_1.F ccsdt_lr_alpha_offdiag_13_1_1.F ccsdt_lr_alpha_offdiag_13_11.F ccsdt_lr_alpha_offdiag_13_12_1.F ccsdt_lr_alpha_offdiag_13_1_2.F ccsdt_lr_alpha_offdiag_13_12.F ccsdt_lr_alpha_offdiag_13_13_1_1.F ccsdt_lr_alpha_offdiag_13_13_1_2.F ccsdt_lr_alpha_offdiag_13_1_3_1.F ccsdt_lr_alpha_offdiag_13_13_1.F ccsdt_lr_alpha_offdiag_13_13_2_1.F ccsdt_lr_alpha_offdiag_13_13_2_2.F ccsdt_lr_alpha_offdiag_13_1_3_2.F ccsdt_lr_alpha_offdiag_13_13_2.F ccsdt_lr_alpha_offdiag_13_1_3.F ccsdt_lr_alpha_offdiag_13_13.F ccsdt_lr_alpha_offdiag_13_14_1_1.F ccsdt_lr_alpha_offdiag_13_1_4_1.F ccsdt_lr_alpha_offdiag_13_14_1.F ccsdt_lr_alpha_offdiag_13_14_2_1.F ccsdt_lr_alpha_offdiag_13_1_4_2.F ccsdt_lr_alpha_offdiag_13_14_2.F ccsdt_lr_alpha_offdiag_13_1_4.F ccsdt_lr_alpha_offdiag_13_14.F ccsdt_lr_alpha_offdiag_13_15_1_1.F ccsdt_lr_alpha_offdiag_13_15_1_2.F ccsdt_lr_alpha_offdiag_13_15_1.F ccsdt_lr_alpha_offdiag_13_15_2_1.F ccsdt_lr_alpha_offdiag_13_15_2_2.F ccsdt_lr_alpha_offdiag_13_15_2.F ccsdt_lr_alpha_offdiag_13_15.F ccsdt_lr_alpha_offdiag_13_16_1_1.F ccsdt_lr_alpha_offdiag_13_16_1.F ccsdt_lr_alpha_offdiag_13_16_2_1.F ccsdt_lr_alpha_offdiag_13_16_2.F ccsdt_lr_alpha_offdiag_13_16.F ccsdt_lr_alpha_offdiag_13_17_1_1.F ccsdt_lr_alpha_offdiag_13_17_1.F ccsdt_lr_alpha_offdiag_13_17_2_1.F ccsdt_lr_alpha_offdiag_13_17_2.F ccsdt_lr_alpha_offdiag_13_17.F ccsdt_lr_alpha_offdiag_13_1.F ccsdt_lr_alpha_offdiag_13_2_1.F ccsdt_lr_alpha_offdiag_13_2.F ccsdt_lr_alpha_offdiag_13_3_1.F ccsdt_lr_alpha_offdiag_13_3_2.F ccsdt_lr_alpha_offdiag_13_3.F ccsdt_lr_alpha_offdiag_13_4_1.F ccsdt_lr_alpha_offdiag_13_4.F ccsdt_lr_alpha_offdiag_13_5_1.F ccsdt_lr_alpha_offdiag_13_5.F ccsdt_lr_alpha_offdiag_13_6_1.F ccsdt_lr_alpha_offdiag_13_6.F ccsdt_lr_alpha_offdiag_13_7_1.F ccsdt_lr_alpha_offdiag_13_7_2.F ccsdt_lr_alpha_offdiag_13_7.F ccsdt_lr_alpha_offdiag_13_8_1.F ccsdt_lr_alpha_offdiag_13_8.F ccsdt_lr_alpha_offdiag_13_9_1.F ccsdt_lr_alpha_offdiag_13_9_2.F ccsdt_lr_alpha_offdiag_13_9.F ccsdt_lr_alpha_offdiag_1_3.F ccsdt_lr_alpha_offdiag_13.F ccsdt_lr_alpha_offdiag_14_1_1.F ccsdt_lr_alpha_offdiag_1_4_1.F ccsdt_lr_alpha_offdiag_14_1.F ccsdt_lr_alpha_offdiag_14_2_1.F ccsdt_lr_alpha_offdiag_1_4_2.F ccsdt_lr_alpha_offdiag_14_2.F ccsdt_lr_alpha_offdiag_1_4_3.F ccsdt_lr_alpha_offdiag_1_4.F ccsdt_lr_alpha_offdiag_14.F ccsdt_lr_alpha_offdiag_15_10_1.F ccsdt_lr_alpha_offdiag_15_10.F ccsdt_lr_alpha_offdiag_15_11_1.F ccsdt_lr_alpha_offdiag_15_11_2_1.F ccsdt_lr_alpha_offdiag_15_11_2.F ccsdt_lr_alpha_offdiag_15_1_1.F ccsdt_lr_alpha_offdiag_15_11.F ccsdt_lr_alpha_offdiag_15_12_1.F ccsdt_lr_alpha_offdiag_15_1_2.F ccsdt_lr_alpha_offdiag_15_12.F ccsdt_lr_alpha_offdiag_15_13_1.F ccsdt_lr_alpha_offdiag_15_13.F ccsdt_lr_alpha_offdiag_15_14_1.F ccsdt_lr_alpha_offdiag_15_14_2_1.F ccsdt_lr_alpha_offdiag_15_14_2.F ccsdt_lr_alpha_offdiag_15_14_3_1.F ccsdt_lr_alpha_offdiag_15_14_3.F ccsdt_lr_alpha_offdiag_15_14.F ccsdt_lr_alpha_offdiag_15_15_1.F ccsdt_lr_alpha_offdiag_15_15.F ccsdt_lr_alpha_offdiag_15_16_1_1.F ccsdt_lr_alpha_offdiag_15_16_1_2.F ccsdt_lr_alpha_offdiag_15_16_1_3_1.F ccsdt_lr_alpha_offdiag_15_16_1_3_2.F ccsdt_lr_alpha_offdiag_15_16_1_3.F ccsdt_lr_alpha_offdiag_15_16_1.F ccsdt_lr_alpha_offdiag_15_16_2_1.F ccsdt_lr_alpha_offdiag_15_16_2.F ccsdt_lr_alpha_offdiag_15_16_3_1.F ccsdt_lr_alpha_offdiag_15_16_3.F ccsdt_lr_alpha_offdiag_15_16_4_1.F ccsdt_lr_alpha_offdiag_15_16_4_2.F ccsdt_lr_alpha_offdiag_15_16_4_3_1.F ccsdt_lr_alpha_offdiag_15_16_4_3_2.F ccsdt_lr_alpha_offdiag_15_16_4_3.F ccsdt_lr_alpha_offdiag_15_16_4_4_1.F ccsdt_lr_alpha_offdiag_15_16_4_4_2.F ccsdt_lr_alpha_offdiag_15_16_4_4.F ccsdt_lr_alpha_offdiag_15_16_4.F ccsdt_lr_alpha_offdiag_15_16_5_1.F ccsdt_lr_alpha_offdiag_15_16_5.F ccsdt_lr_alpha_offdiag_15_16_6_1.F ccsdt_lr_alpha_offdiag_15_16_6.F ccsdt_lr_alpha_offdiag_15_16_7_1_1.F ccsdt_lr_alpha_offdiag_15_16_7_1.F ccsdt_lr_alpha_offdiag_15_16_7.F ccsdt_lr_alpha_offdiag_15_16_8_1_1.F ccsdt_lr_alpha_offdiag_15_16_8_1.F ccsdt_lr_alpha_offdiag_15_16_8_2_1.F ccsdt_lr_alpha_offdiag_15_16_8_2.F ccsdt_lr_alpha_offdiag_15_16_8.F ccsdt_lr_alpha_offdiag_15_16.F ccsdt_lr_alpha_offdiag_15_17_1_1.F ccsdt_lr_alpha_offdiag_15_17_1.F ccsdt_lr_alpha_offdiag_15_17_2_1.F ccsdt_lr_alpha_offdiag_15_17_2.F ccsdt_lr_alpha_offdiag_15_17.F ccsdt_lr_alpha_offdiag_15_18_1_1.F ccsdt_lr_alpha_offdiag_15_18_1.F ccsdt_lr_alpha_offdiag_15_18_2_1.F ccsdt_lr_alpha_offdiag_15_18_2.F ccsdt_lr_alpha_offdiag_15_18.F ccsdt_lr_alpha_offdiag_15_19_1_1.F ccsdt_lr_alpha_offdiag_15_19_1.F ccsdt_lr_alpha_offdiag_15_19_2_1.F 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ccsdt_lr_alpha_offdiag_15_27_5_1.F ccsdt_lr_alpha_offdiag_15_27_5.F ccsdt_lr_alpha_offdiag_15_27_6_1.F ccsdt_lr_alpha_offdiag_15_27_6.F ccsdt_lr_alpha_offdiag_15_27_7_1_1.F ccsdt_lr_alpha_offdiag_15_27_7_1.F ccsdt_lr_alpha_offdiag_15_27_7.F ccsdt_lr_alpha_offdiag_15_27_8_1_1.F ccsdt_lr_alpha_offdiag_15_27_8_1.F ccsdt_lr_alpha_offdiag_15_27_8_2_1.F ccsdt_lr_alpha_offdiag_15_27_8_2.F ccsdt_lr_alpha_offdiag_15_27_8.F ccsdt_lr_alpha_offdiag_15_27.F ccsdt_lr_alpha_offdiag_15_28_1_1.F ccsdt_lr_alpha_offdiag_15_28_1.F ccsdt_lr_alpha_offdiag_15_28.F ccsdt_lr_alpha_offdiag_15_29_1_1.F ccsdt_lr_alpha_offdiag_15_29_1.F ccsdt_lr_alpha_offdiag_15_29.F ccsdt_lr_alpha_offdiag_1_5_2.F ccsdt_lr_alpha_offdiag_15_2.F ccsdt_lr_alpha_offdiag_15_30_1_1.F ccsdt_lr_alpha_offdiag_15_30_1.F ccsdt_lr_alpha_offdiag_15_30.F ccsdt_lr_alpha_offdiag_15_31_1_1.F ccsdt_lr_alpha_offdiag_15_31_1.F ccsdt_lr_alpha_offdiag_15_3_1.F ccsdt_lr_alpha_offdiag_15_31.F ccsdt_lr_alpha_offdiag_15_32_1_1.F ccsdt_lr_alpha_offdiag_15_32_1.F ccsdt_lr_alpha_offdiag_15_32.F ccsdt_lr_alpha_offdiag_15_33_1_1.F ccsdt_lr_alpha_offdiag_15_33_1.F ccsdt_lr_alpha_offdiag_15_33_2_1.F ccsdt_lr_alpha_offdiag_15_33_2.F ccsdt_lr_alpha_offdiag_15_33_3_1.F ccsdt_lr_alpha_offdiag_15_33_3.F ccsdt_lr_alpha_offdiag_15_33_4_1.F ccsdt_lr_alpha_offdiag_15_33_4.F ccsdt_lr_alpha_offdiag_15_33.F ccsdt_lr_alpha_offdiag_15_34_1_1.F ccsdt_lr_alpha_offdiag_15_34_1.F ccsdt_lr_alpha_offdiag_15_34.F ccsdt_lr_alpha_offdiag_15_35_1_1.F ccsdt_lr_alpha_offdiag_15_35_1.F ccsdt_lr_alpha_offdiag_15_35_2_1.F ccsdt_lr_alpha_offdiag_15_35_2.F ccsdt_lr_alpha_offdiag_15_35.F ccsdt_lr_alpha_offdiag_15_36_1_1.F ccsdt_lr_alpha_offdiag_15_36_1.F ccsdt_lr_alpha_offdiag_15_36_2_1.F ccsdt_lr_alpha_offdiag_15_36_2.F ccsdt_lr_alpha_offdiag_15_36.F ccsdt_lr_alpha_offdiag_15_37_1_1.F ccsdt_lr_alpha_offdiag_15_37_1.F ccsdt_lr_alpha_offdiag_15_37_2_1.F ccsdt_lr_alpha_offdiag_15_37_2.F ccsdt_lr_alpha_offdiag_15_37.F ccsdt_lr_alpha_offdiag_15_38_1_1.F ccsdt_lr_alpha_offdiag_15_38_1.F ccsdt_lr_alpha_offdiag_15_38_2_1.F ccsdt_lr_alpha_offdiag_15_38_2.F ccsdt_lr_alpha_offdiag_15_38.F ccsdt_lr_alpha_offdiag_15_39_1_1.F ccsdt_lr_alpha_offdiag_15_39_1.F ccsdt_lr_alpha_offdiag_15_39_2_1.F ccsdt_lr_alpha_offdiag_15_39_2.F ccsdt_lr_alpha_offdiag_15_39.F ccsdt_lr_alpha_offdiag_1_5_3.F ccsdt_lr_alpha_offdiag_15_3.F ccsdt_lr_alpha_offdiag_15_4_1.F ccsdt_lr_alpha_offdiag_15_4_2.F ccsdt_lr_alpha_offdiag_15_4_3_1.F ccsdt_lr_alpha_offdiag_15_4_3.F ccsdt_lr_alpha_offdiag_15_4_4_1.F ccsdt_lr_alpha_offdiag_15_4_4.F ccsdt_lr_alpha_offdiag_15_4.F ccsdt_lr_alpha_offdiag_15_5_1.F ccsdt_lr_alpha_offdiag_15_5.F ccsdt_lr_alpha_offdiag_15_6_1.F ccsdt_lr_alpha_offdiag_15_6.F ccsdt_lr_alpha_offdiag_15_7_1.F ccsdt_lr_alpha_offdiag_15_7.F ccsdt_lr_alpha_offdiag_15_8_1.F ccsdt_lr_alpha_offdiag_15_8.F ccsdt_lr_alpha_offdiag_15_9_1.F ccsdt_lr_alpha_offdiag_15_9_2.F ccsdt_lr_alpha_offdiag_15_9.F ccsdt_lr_alpha_offdiag_1_5.F ccsdt_lr_alpha_offdiag_15.F ccsdt_lr_alpha_offdiag_16_10_1.F ccsdt_lr_alpha_offdiag_16_10.F ccsdt_lr_alpha_offdiag_16_11_1_1.F ccsdt_lr_alpha_offdiag_16_11_1.F ccsdt_lr_alpha_offdiag_16_11_2_1.F ccsdt_lr_alpha_offdiag_16_11_2.F ccsdt_lr_alpha_offdiag_16_11_3_1.F ccsdt_lr_alpha_offdiag_16_11_3.F ccsdt_lr_alpha_offdiag_16_11_4_1.F ccsdt_lr_alpha_offdiag_16_11_4.F ccsdt_lr_alpha_offdiag_16_1_1.F ccsdt_lr_alpha_offdiag_16_11.F ccsdt_lr_alpha_offdiag_16_12_1_1.F ccsdt_lr_alpha_offdiag_16_12_1.F ccsdt_lr_alpha_offdiag_16_12_2_1.F ccsdt_lr_alpha_offdiag_16_12_2.F ccsdt_lr_alpha_offdiag_16_12_3_1.F ccsdt_lr_alpha_offdiag_16_12_3.F ccsdt_lr_alpha_offdiag_16_12_4_1.F ccsdt_lr_alpha_offdiag_16_12_4.F ccsdt_lr_alpha_offdiag_16_12.F ccsdt_lr_alpha_offdiag_16_13_1_1.F ccsdt_lr_alpha_offdiag_16_13_1.F ccsdt_lr_alpha_offdiag_16_13_2_1.F ccsdt_lr_alpha_offdiag_16_13_2.F ccsdt_lr_alpha_offdiag_16_13_3_1.F ccsdt_lr_alpha_offdiag_16_13_3.F ccsdt_lr_alpha_offdiag_16_13_4_1.F ccsdt_lr_alpha_offdiag_16_13_4.F ccsdt_lr_alpha_offdiag_16_13.F ccsdt_lr_alpha_offdiag_1_6_1.F ccsdt_lr_alpha_offdiag_16_1.F ccsdt_lr_alpha_offdiag_16_2_1.F ccsdt_lr_alpha_offdiag_1_6_2.F ccsdt_lr_alpha_offdiag_16_2.F ccsdt_lr_alpha_offdiag_16_3_1.F ccsdt_lr_alpha_offdiag_16_3.F ccsdt_lr_alpha_offdiag_16_4_1.F ccsdt_lr_alpha_offdiag_16_4.F ccsdt_lr_alpha_offdiag_16_5_1.F ccsdt_lr_alpha_offdiag_16_5.F ccsdt_lr_alpha_offdiag_16_6_1.F ccsdt_lr_alpha_offdiag_16_6.F ccsdt_lr_alpha_offdiag_16_7_1.F ccsdt_lr_alpha_offdiag_16_7.F ccsdt_lr_alpha_offdiag_16_8_1.F ccsdt_lr_alpha_offdiag_16_8.F ccsdt_lr_alpha_offdiag_16_9_1.F ccsdt_lr_alpha_offdiag_16_9.F ccsdt_lr_alpha_offdiag_1_6.F ccsdt_lr_alpha_offdiag_16.F ccsdt_lr_alpha_offdiag_1_7_1.F ccsdt_lr_alpha_offdiag_17_1.F ccsdt_lr_alpha_offdiag_1_7.F ccsdt_lr_alpha_offdiag_17.F ccsdt_lr_alpha_offdiag_1_8_1.F ccsdt_lr_alpha_offdiag_1_8_2.F ccsdt_lr_alpha_offdiag_1_8.F ccsdt_lr_alpha_offdiag_1_9_1.F ccsdt_lr_alpha_offdiag_1_9.F ccsdt_lr_alpha_offdiag_1.F ccsdt_lr_alpha_offdiag_2_1.F ccsdt_lr_alpha_offdiag_2_2.F ccsdt_lr_alpha_offdiag_2_3.F ccsdt_lr_alpha_offdiag_2.F ccsdt_lr_alpha_offdiag_3_10_1_1.F ccsdt_lr_alpha_offdiag_3_10_1.F ccsdt_lr_alpha_offdiag_3_10_2_1.F ccsdt_lr_alpha_offdiag_3_10_2.F ccsdt_lr_alpha_offdiag_3_10.F ccsdt_lr_alpha_offdiag_3_1_1.F ccsdt_lr_alpha_offdiag_3_1_2.F ccsdt_lr_alpha_offdiag_3_1.F ccsdt_lr_alpha_offdiag_3_2_1.F ccsdt_lr_alpha_offdiag_3_2_2.F ccsdt_lr_alpha_offdiag_3_2.F ccsdt_lr_alpha_offdiag_3_3_1.F ccsdt_lr_alpha_offdiag_3_3_2_1.F ccsdt_lr_alpha_offdiag_3_3_2.F ccsdt_lr_alpha_offdiag_3_3.F ccsdt_lr_alpha_offdiag_3_4_1.F ccsdt_lr_alpha_offdiag_3_4.F ccsdt_lr_alpha_offdiag_3_5_1.F ccsdt_lr_alpha_offdiag_3_5_2.F ccsdt_lr_alpha_offdiag_3_5_3_1.F ccsdt_lr_alpha_offdiag_3_5_3.F ccsdt_lr_alpha_offdiag_3_5_4_1.F ccsdt_lr_alpha_offdiag_3_5_4.F ccsdt_lr_alpha_offdiag_3_5.F ccsdt_lr_alpha_offdiag_3_6_1.F ccsdt_lr_alpha_offdiag_3_6.F ccsdt_lr_alpha_offdiag_3_7_1.F ccsdt_lr_alpha_offdiag_3_7.F ccsdt_lr_alpha_offdiag_3_8_1.F ccsdt_lr_alpha_offdiag_3_8_2_1.F ccsdt_lr_alpha_offdiag_3_8_2.F ccsdt_lr_alpha_offdiag_3_8.F ccsdt_lr_alpha_offdiag_3_9_1.F ccsdt_lr_alpha_offdiag_3_9.F ccsdt_lr_alpha_offdiag_3.F ccsdt_lr_alpha_offdiag_4_1.F ccsdt_lr_alpha_offdiag_4_2.F ccsdt_lr_alpha_offdiag_4.F ccsdt_lr_alpha_offdiag_5_1.F ccsdt_lr_alpha_offdiag_5_2.F ccsdt_lr_alpha_offdiag_5_3.F ccsdt_lr_alpha_offdiag_5_4_1.F ccsdt_lr_alpha_offdiag_5_4_2.F ccsdt_lr_alpha_offdiag_5_4_3.F ccsdt_lr_alpha_offdiag_5_4.F ccsdt_lr_alpha_offdiag_5_5_1.F ccsdt_lr_alpha_offdiag_5_5_2.F ccsdt_lr_alpha_offdiag_5_5_3.F ccsdt_lr_alpha_offdiag_5_5.F ccsdt_lr_alpha_offdiag_5_6_1.F ccsdt_lr_alpha_offdiag_5_6_2.F ccsdt_lr_alpha_offdiag_5_6.F ccsdt_lr_alpha_offdiag_5_7_1.F ccsdt_lr_alpha_offdiag_5_7.F ccsdt_lr_alpha_offdiag_5_8_1.F ccsdt_lr_alpha_offdiag_5_8_2.F ccsdt_lr_alpha_offdiag_5_8.F ccsdt_lr_alpha_offdiag_5_9_1.F ccsdt_lr_alpha_offdiag_5_9.F ccsdt_lr_alpha_offdiag_5.F ccsdt_lr_alpha_offdiag_6_1.F ccsdt_lr_alpha_offdiag_6_2.F ccsdt_lr_alpha_offdiag_6_3.F ccsdt_lr_alpha_offdiag_6.F ccsdt_lr_alpha_offdiag_7_1.F ccsdt_lr_alpha_offdiag_7_2.F ccsdt_lr_alpha_offdiag_7.F ccsdt_lr_alpha_offdiag_8_1.F ccsdt_lr_alpha_offdiag_8.F ccsdt_lr_alpha_offdiag_9_1_1.F ccsdt_lr_alpha_offdiag_9_1.F ccsdt_lr_alpha_offdiag_9_2_1.F ccsdt_lr_alpha_offdiag_9_2_2.F ccsdt_lr_alpha_offdiag_9_2_3.F ccsdt_lr_alpha_offdiag_9_2.F ccsdt_lr_alpha_offdiag_9_3_1.F ccsdt_lr_alpha_offdiag_9_3_2.F ccsdt_lr_alpha_offdiag_9_3.F ccsdt_lr_alpha_offdiag_9_4_1.F ccsdt_lr_alpha_offdiag_9_4.F ccsdt_lr_alpha_offdiag_9_5_1.F ccsdt_lr_alpha_offdiag_9_5_2.F ccsdt_lr_alpha_offdiag_9_5.F ccsdt_lr_alpha_offdiag_9_6_1.F ccsdt_lr_alpha_offdiag_9_6_2.F ccsdt_lr_alpha_offdiag_9_6.F ccsdt_lr_alpha_offdiag_9_7_1.F ccsdt_lr_alpha_offdiag_9_7.F ccsdt_lr_alpha_offdiag_9.F ccsdt_lr_alpha_offdiag.F converting ccsdt_lr_alpha_offdiag_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_24_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_28_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_28_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_28.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_29_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_29_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_29.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_30_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_30_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_30.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_31_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_31_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_31.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_32_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_32_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_32.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_34_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_34_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_34.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_35_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_35_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_35_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_35_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_35.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_36_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_36_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_36_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_36_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_36.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_37_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_37_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_37_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_37_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_37.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_38_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_38_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_38_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_38_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_38.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_39_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_39_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_39_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_39_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_39.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' Making 64_to_32 in ccsdt_alpha_new make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_lr_alpha1.F ccsdt_lr_alpha1_1.F ccsdt_lr_alpha1_1_1.F OFFSET_ccsdt_lr_alpha1_1_1.F ccsdt_lr_alpha1_1_2.F ccsdt_lr_alpha1_1_3.F ccsdt_lr_alpha1_1_4.F ccsdt_lr_alpha1_1_4_1.F OFFSET_ccsdt_lr_alpha1_1_4_1.F ccsdt_lr_alpha1_1_4_2.F ccsdt_lr_alpha1_1_4_3.F ccsdt_lr_alpha1_1_5.F ccsdt_lr_alpha1_1_5_1.F OFFSET_ccsdt_lr_alpha1_1_5_1.F ccsdt_lr_alpha1_1_5_2.F ccsdt_lr_alpha1_1_5_3.F ccsdt_lr_alpha1_1_6.F ccsdt_lr_alpha1_1_6_1.F OFFSET_ccsdt_lr_alpha1_1_6_1.F ccsdt_lr_alpha1_1_6_2.F ccsdt_lr_alpha1_1_7.F ccsdt_lr_alpha1_1_7_1.F OFFSET_ccsdt_lr_alpha1_1_7_1.F ccsdt_lr_alpha1_1_8.F ccsdt_lr_alpha1_1_8_1.F OFFSET_ccsdt_lr_alpha1_1_8_1.F ccsdt_lr_alpha1_1_8_2.F ccsdt_lr_alpha1_1_9.F ccsdt_lr_alpha1_1_9_1.F OFFSET_ccsdt_lr_alpha1_1_9_1.F ccsdt_lr_alpha1_2.F ccsdt_lr_alpha1_2_1.F OFFSET_ccsdt_lr_alpha1_2_1.F ccsdt_lr_alpha1_2_2.F ccsdt_lr_alpha1_2_3.F ccsdt_lr_alpha1_3.F ccsdt_lr_alpha1_3_1.F OFFSET_ccsdt_lr_alpha1_3_1.F ccsdt_lr_alpha1_4.F ccsdt_lr_alpha1_4_1.F OFFSET_ccsdt_lr_alpha1_4_1.F ccsdt_lr_alpha1_4_2.F ccsdt_lr_alpha2.F ccsdt_lr_alpha2_1.F ccsdt_lr_alpha2_1_1.F OFFSET_ccsdt_lr_alpha2_1_1.F ccsdt_lr_alpha2_2.F ccsdt_lr_alpha2_2_1.F OFFSET_ccsdt_lr_alpha2_2_1.F ccsdt_lr_alpha2_2_1_1.F OFFSET_ccsdt_lr_alpha2_2_1_1.F ccsdt_lr_alpha2_2_1_2.F ccsdt_lr_alpha2_2_1_3.F ccsdt_lr_alpha2_2_2.F ccsdt_lr_alpha2_2_2_1.F OFFSET_ccsdt_lr_alpha2_2_2_1.F ccsdt_lr_alpha2_2_2_2.F ccsdt_lr_alpha2_2_2_3.F ccsdt_lr_alpha2_2_3.F ccsdt_lr_alpha2_2_3_1.F OFFSET_ccsdt_lr_alpha2_2_3_1.F ccsdt_lr_alpha2_2_3_2.F ccsdt_lr_alpha2_2_4.F ccsdt_lr_alpha2_2_4_1.F OFFSET_ccsdt_lr_alpha2_2_4_1.F ccsdt_lr_alpha2_2_5.F ccsdt_lr_alpha2_2_5_1.F OFFSET_ccsdt_lr_alpha2_2_5_1.F ccsdt_lr_alpha2_2_5_2.F ccsdt_lr_alpha2_2_6.F ccsdt_lr_alpha2_2_6_1.F OFFSET_ccsdt_lr_alpha2_2_6_1.F ccsdt_lr_alpha2_3.F ccsdt_lr_alpha2_3_1.F OFFSET_ccsdt_lr_alpha2_3_1.F ccsdt_lr_alpha2_3_1_1.F OFFSET_ccsdt_lr_alpha2_3_1_1.F ccsdt_lr_alpha2_3_1_2.F ccsdt_lr_alpha2_3_1_3.F ccsdt_lr_alpha2_3_1_3_1.F OFFSET_ccsdt_lr_alpha2_3_1_3_1.F ccsdt_lr_alpha2_3_1_4.F ccsdt_lr_alpha2_3_1_4_1.F OFFSET_ccsdt_lr_alpha2_3_1_4_1.F ccsdt_lr_alpha2_3_2.F ccsdt_lr_alpha2_3_2_1.F OFFSET_ccsdt_lr_alpha2_3_2_1.F ccsdt_lr_alpha2_3_3.F ccsdt_lr_alpha2_3_3_1.F OFFSET_ccsdt_lr_alpha2_3_3_1.F ccsdt_lr_alpha2_3_4.F ccsdt_lr_alpha2_3_4_1.F OFFSET_ccsdt_lr_alpha2_3_4_1.F ccsdt_lr_alpha2_3_4_2.F ccsdt_lr_alpha2_3_4_3.F ccsdt_lr_alpha2_3_4_3_1.F OFFSET_ccsdt_lr_alpha2_3_4_3_1.F ccsdt_lr_alpha2_3_4_4.F ccsdt_lr_alpha2_3_4_4_1.F OFFSET_ccsdt_lr_alpha2_3_4_4_1.F ccsdt_lr_alpha2_3_5.F ccsdt_lr_alpha2_3_5_1.F OFFSET_ccsdt_lr_alpha2_3_5_1.F ccsdt_lr_alpha2_3_6.F ccsdt_lr_alpha2_3_6_1.F OFFSET_ccsdt_lr_alpha2_3_6_1.F ccsdt_lr_alpha2_3_7.F ccsdt_lr_alpha2_3_7_1.F OFFSET_ccsdt_lr_alpha2_3_7_1.F ccsdt_lr_alpha2_3_8.F ccsdt_lr_alpha2_3_8_1.F OFFSET_ccsdt_lr_alpha2_3_8_1.F ccsdt_lr_alpha2_3_9.F ccsdt_lr_alpha2_3_9_1.F OFFSET_ccsdt_lr_alpha2_3_9_1.F ccsdt_lr_alpha2_3_9_1_1.F OFFSET_ccsdt_lr_alpha2_3_9_1_1.F ccsdt_lr_alpha2_3_9_2.F ccsdt_lr_alpha2_3_9_2_1.F OFFSET_ccsdt_lr_alpha2_3_9_2_1.F ccsdt_lr_alpha2_4.F ccsdt_lr_alpha2_4_1.F OFFSET_ccsdt_lr_alpha2_4_1.F ccsdt_lr_alpha2_4_1_1.F OFFSET_ccsdt_lr_alpha2_4_1_1.F ccsdt_lr_alpha2_4_2.F ccsdt_lr_alpha2_4_2_1.F OFFSET_ccsdt_lr_alpha2_4_2_1.F ccsdt_lr_alpha2_4_3.F ccsdt_lr_alpha2_4_3_1.F OFFSET_ccsdt_lr_alpha2_4_3_1.F ccsdt_lr_alpha2_4_4.F ccsdt_lr_alpha2_4_4_1.F OFFSET_ccsdt_lr_alpha2_4_4_1.F ccsdt_lr_alpha2_5.F ccsdt_lr_alpha2_5_1.F OFFSET_ccsdt_lr_alpha2_5_1.F ccsdt_lr_alpha2_5_1_1.F OFFSET_ccsdt_lr_alpha2_5_1_1.F ccsdt_lr_alpha2_5_1_2.F ccsdt_lr_alpha2_5_2.F ccsdt_lr_alpha2_5_2_1.F OFFSET_ccsdt_lr_alpha2_5_2_1.F ccsdt_lr_alpha2_5_2_2.F ccsdt_lr_alpha2_5_3.F ccsdt_lr_alpha2_5_3_1.F OFFSET_ccsdt_lr_alpha2_5_3_1.F ccsdt_lr_alpha2_5_4.F ccsdt_lr_alpha2_5_4_1.F OFFSET_ccsdt_lr_alpha2_5_4_1.F ccsdt_lr_alpha2_6.F ccsdt_lr_alpha2_6_1.F OFFSET_ccsdt_lr_alpha2_6_1.F ccsdt_lr_alpha2_6_1_1.F OFFSET_ccsdt_lr_alpha2_6_1_1.F ccsdt_lr_alpha2_6_2.F ccsdt_lr_alpha2_6_2_1.F OFFSET_ccsdt_lr_alpha2_6_2_1.F ccsdt_lr_alpha2_6_2_2.F ccsdt_lr_alpha2_6_3.F ccsdt_lr_alpha2_6_3_1.F OFFSET_ccsdt_lr_alpha2_6_3_1.F ccsdt_lr_alpha2_6_3_2.F ccsdt_lr_alpha2_6_3_2_1.F OFFSET_ccsdt_lr_alpha2_6_3_2_1.F ccsdt_lr_alpha2_6_3_3.F ccsdt_lr_alpha2_6_3_3_1.F OFFSET_ccsdt_lr_alpha2_6_3_3_1.F ccsdt_lr_alpha2_6_3_4.F ccsdt_lr_alpha2_6_3_4_1.F OFFSET_ccsdt_lr_alpha2_6_3_4_1.F ccsdt_lr_alpha2_6_3_5.F ccsdt_lr_alpha2_6_3_5_1.F OFFSET_ccsdt_lr_alpha2_6_3_5_1.F ccsdt_lr_alpha2_6_3_6.F ccsdt_lr_alpha2_6_3_6_1.F OFFSET_ccsdt_lr_alpha2_6_3_6_1.F ccsdt_lr_alpha2_6_3_7.F ccsdt_lr_alpha2_6_3_7_1.F OFFSET_ccsdt_lr_alpha2_6_3_7_1.F ccsdt_lr_alpha2_6_4.F ccsdt_lr_alpha2_6_4_1.F OFFSET_ccsdt_lr_alpha2_6_4_1.F ccsdt_lr_alpha2_6_4_2.F ccsdt_lr_alpha2_6_5.F ccsdt_lr_alpha2_6_5_1.F OFFSET_ccsdt_lr_alpha2_6_5_1.F ccsdt_lr_alpha2_6_6.F ccsdt_lr_alpha2_6_6_1.F OFFSET_ccsdt_lr_alpha2_6_6_1.F ccsdt_lr_alpha2_6_7.F ccsdt_lr_alpha2_6_7_1.F OFFSET_ccsdt_lr_alpha2_6_7_1.F ccsdt_lr_alpha2_6_8.F ccsdt_lr_alpha2_6_8_1.F OFFSET_ccsdt_lr_alpha2_6_8_1.F ccsdt_lr_alpha2_6_9.F ccsdt_lr_alpha2_6_9_1.F OFFSET_ccsdt_lr_alpha2_6_9_1.F ccsdt_lr_alpha2_6_9_2.F ccsdt_lr_alpha2_6_10.F ccsdt_lr_alpha2_6_10_1.F OFFSET_ccsdt_lr_alpha2_6_10_1.F ccsdt_lr_alpha2_6_10_2.F ccsdt_lr_alpha2_6_10_2_1.F OFFSET_ccsdt_lr_alpha2_6_10_2_1.F ccsdt_lr_alpha2_6_10_3.F ccsdt_lr_alpha2_6_10_3_1.F OFFSET_ccsdt_lr_alpha2_6_10_3_1.F ccsdt_lr_alpha2_6_10_4.F ccsdt_lr_alpha2_6_10_4_1.F OFFSET_ccsdt_lr_alpha2_6_10_4_1.F ccsdt_lr_alpha2_6_10_5.F ccsdt_lr_alpha2_6_10_5_1.F OFFSET_ccsdt_lr_alpha2_6_10_5_1.F ccsdt_lr_alpha2_6_10_6.F ccsdt_lr_alpha2_6_10_6_1.F OFFSET_ccsdt_lr_alpha2_6_10_6_1.F ccsdt_lr_alpha2_6_10_7.F ccsdt_lr_alpha2_6_10_7_1.F OFFSET_ccsdt_lr_alpha2_6_10_7_1.F ccsdt_lr_alpha2_6_11.F ccsdt_lr_alpha2_6_11_1.F OFFSET_ccsdt_lr_alpha2_6_11_1.F ccsdt_lr_alpha2_6_11_2.F ccsdt_lr_alpha2_6_12.F ccsdt_lr_alpha2_6_12_1.F OFFSET_ccsdt_lr_alpha2_6_12_1.F ccsdt_lr_alpha2_6_13.F ccsdt_lr_alpha2_6_13_1.F OFFSET_ccsdt_lr_alpha2_6_13_1.F ccsdt_lr_alpha2_6_14.F ccsdt_lr_alpha2_6_14_1.F OFFSET_ccsdt_lr_alpha2_6_14_1.F ccsdt_lr_alpha2_6_15.F ccsdt_lr_alpha2_6_15_1.F OFFSET_ccsdt_lr_alpha2_6_15_1.F ccsdt_lr_alpha2_6_15_1_1.F OFFSET_ccsdt_lr_alpha2_6_15_1_1.F ccsdt_lr_alpha2_6_15_2.F ccsdt_lr_alpha2_6_15_2_1.F OFFSET_ccsdt_lr_alpha2_6_15_2_1.F ccsdt_lr_alpha2_6_15_3.F ccsdt_lr_alpha2_6_15_3_1.F OFFSET_ccsdt_lr_alpha2_6_15_3_1.F ccsdt_lr_alpha2_6_15_4.F ccsdt_lr_alpha2_6_15_4_1.F OFFSET_ccsdt_lr_alpha2_6_15_4_1.F ccsdt_lr_alpha2_6_15_5.F ccsdt_lr_alpha2_6_15_5_1.F OFFSET_ccsdt_lr_alpha2_6_15_5_1.F ccsdt_lr_alpha2_6_15_6.F ccsdt_lr_alpha2_6_15_6_1.F OFFSET_ccsdt_lr_alpha2_6_15_6_1.F ccsdt_lr_alpha2_6_16.F ccsdt_lr_alpha2_6_16_1.F OFFSET_ccsdt_lr_alpha2_6_16_1.F ccsdt_lr_alpha2_6_16_1_1.F OFFSET_ccsdt_lr_alpha2_6_16_1_1.F ccsdt_lr_alpha2_6_16_2.F ccsdt_lr_alpha2_6_16_2_1.F OFFSET_ccsdt_lr_alpha2_6_16_2_1.F ccsdt_lr_alpha2_6_17.F ccsdt_lr_alpha2_6_17_1.F OFFSET_ccsdt_lr_alpha2_6_17_1.F ccsdt_lr_alpha2_6_17_1_1.F OFFSET_ccsdt_lr_alpha2_6_17_1_1.F ccsdt_lr_alpha2_6_17_2.F ccsdt_lr_alpha2_6_17_2_1.F OFFSET_ccsdt_lr_alpha2_6_17_2_1.F ccsdt_lr_alpha2_6_18.F ccsdt_lr_alpha2_6_18_1.F OFFSET_ccsdt_lr_alpha2_6_18_1.F ccsdt_lr_alpha2_6_18_1_1.F OFFSET_ccsdt_lr_alpha2_6_18_1_1.F ccsdt_lr_alpha2_6_18_2.F ccsdt_lr_alpha2_6_18_2_1.F OFFSET_ccsdt_lr_alpha2_6_18_2_1.F ccsdt_lr_alpha2_7.F ccsdt_lr_alpha2_7_1.F OFFSET_ccsdt_lr_alpha2_7_1.F ccsdt_lr_alpha2_7_1_1.F OFFSET_ccsdt_lr_alpha2_7_1_1.F ccsdt_lr_alpha2_7_1_2.F ccsdt_lr_alpha2_7_1_3.F ccsdt_lr_alpha2_7_1_3_1.F OFFSET_ccsdt_lr_alpha2_7_1_3_1.F ccsdt_lr_alpha2_7_1_3_2.F ccsdt_lr_alpha2_7_1_4.F ccsdt_lr_alpha2_7_1_4_1.F OFFSET_ccsdt_lr_alpha2_7_1_4_1.F ccsdt_lr_alpha2_7_1_4_2.F ccsdt_lr_alpha2_7_2.F ccsdt_lr_alpha2_7_2_1.F OFFSET_ccsdt_lr_alpha2_7_2_1.F ccsdt_lr_alpha2_7_3.F ccsdt_lr_alpha2_7_3_1.F OFFSET_ccsdt_lr_alpha2_7_3_1.F ccsdt_lr_alpha2_7_3_2.F ccsdt_lr_alpha2_7_4.F ccsdt_lr_alpha2_7_4_1.F OFFSET_ccsdt_lr_alpha2_7_4_1.F ccsdt_lr_alpha2_7_4_1_1.F OFFSET_ccsdt_lr_alpha2_7_4_1_1.F ccsdt_lr_alpha2_7_4_1_2.F ccsdt_lr_alpha2_7_5.F ccsdt_lr_alpha2_7_5_1.F OFFSET_ccsdt_lr_alpha2_7_5_1.F ccsdt_lr_alpha2_7_6.F ccsdt_lr_alpha2_7_6_1.F OFFSET_ccsdt_lr_alpha2_7_6_1.F ccsdt_lr_alpha2_7_7.F ccsdt_lr_alpha2_7_7_1.F OFFSET_ccsdt_lr_alpha2_7_7_1.F ccsdt_lr_alpha2_7_7_2.F ccsdt_lr_alpha2_7_7_3.F ccsdt_lr_alpha2_7_7_3_1.F OFFSET_ccsdt_lr_alpha2_7_7_3_1.F ccsdt_lr_alpha2_7_7_3_2.F ccsdt_lr_alpha2_7_7_4.F ccsdt_lr_alpha2_7_7_4_1.F OFFSET_ccsdt_lr_alpha2_7_7_4_1.F ccsdt_lr_alpha2_7_7_4_2.F ccsdt_lr_alpha2_7_8.F ccsdt_lr_alpha2_7_8_1.F OFFSET_ccsdt_lr_alpha2_7_8_1.F ccsdt_lr_alpha2_7_9.F ccsdt_lr_alpha2_7_9_1.F OFFSET_ccsdt_lr_alpha2_7_9_1.F ccsdt_lr_alpha2_7_9_2.F ccsdt_lr_alpha2_7_10.F ccsdt_lr_alpha2_7_10_1.F OFFSET_ccsdt_lr_alpha2_7_10_1.F ccsdt_lr_alpha2_7_11.F ccsdt_lr_alpha2_7_11_1.F OFFSET_ccsdt_lr_alpha2_7_11_1.F ccsdt_lr_alpha2_7_12.F ccsdt_lr_alpha2_7_12_1.F OFFSET_ccsdt_lr_alpha2_7_12_1.F ccsdt_lr_alpha2_7_12_1_1.F OFFSET_ccsdt_lr_alpha2_7_12_1_1.F ccsdt_lr_alpha2_7_12_2.F ccsdt_lr_alpha2_7_12_2_1.F OFFSET_ccsdt_lr_alpha2_7_12_2_1.F ccsdt_lr_alpha2_7_13.F ccsdt_lr_alpha2_7_13_1.F OFFSET_ccsdt_lr_alpha2_7_13_1.F ccsdt_lr_alpha2_7_13_1_1.F OFFSET_ccsdt_lr_alpha2_7_13_1_1.F ccsdt_lr_alpha2_7_13_1_2.F ccsdt_lr_alpha2_7_13_2.F ccsdt_lr_alpha2_7_13_2_1.F OFFSET_ccsdt_lr_alpha2_7_13_2_1.F ccsdt_lr_alpha2_7_13_2_2.F ccsdt_lr_alpha2_7_14.F ccsdt_lr_alpha2_7_14_1.F OFFSET_ccsdt_lr_alpha2_7_14_1.F ccsdt_lr_alpha2_7_14_1_1.F OFFSET_ccsdt_lr_alpha2_7_14_1_1.F ccsdt_lr_alpha2_7_14_2.F ccsdt_lr_alpha2_7_14_2_1.F OFFSET_ccsdt_lr_alpha2_7_14_2_1.F ccsdt_lr_alpha2_7_15.F ccsdt_lr_alpha2_7_15_1.F OFFSET_ccsdt_lr_alpha2_7_15_1.F ccsdt_lr_alpha2_7_15_1_1.F OFFSET_ccsdt_lr_alpha2_7_15_1_1.F ccsdt_lr_alpha2_7_15_2.F ccsdt_lr_alpha2_7_15_2_1.F OFFSET_ccsdt_lr_alpha2_7_15_2_1.F ccsdt_lr_alpha2_8.F ccsdt_lr_alpha2_8_1.F OFFSET_ccsdt_lr_alpha2_8_1.F ccsdt_lr_alpha2_8_1_1.F OFFSET_ccsdt_lr_alpha2_8_1_1.F ccsdt_lr_alpha2_8_2.F ccsdt_lr_alpha2_8_2_1.F OFFSET_ccsdt_lr_alpha2_8_2_1.F ccsdt_lr_alpha2_9.F ccsdt_lr_alpha2_9_1.F OFFSET_ccsdt_lr_alpha2_9_1.F ccsdt_lr_alpha2_9_1_1.F OFFSET_ccsdt_lr_alpha2_9_1_1.F ccsdt_lr_alpha2_9_1_2.F ccsdt_lr_alpha2_9_2.F ccsdt_lr_alpha2_9_2_1.F OFFSET_ccsdt_lr_alpha2_9_2_1.F ccsdt_lr_alpha2_9_2_2.F ccsdt_lr_alpha2_9_2_3.F ccsdt_lr_alpha2_9_2_3_1.F OFFSET_ccsdt_lr_alpha2_9_2_3_1.F ccsdt_lr_alpha2_9_2_4.F ccsdt_lr_alpha2_9_2_4_1.F OFFSET_ccsdt_lr_alpha2_9_2_4_1.F ccsdt_lr_alpha2_9_3.F ccsdt_lr_alpha2_9_3_1.F OFFSET_ccsdt_lr_alpha2_9_3_1.F ccsdt_lr_alpha2_9_4.F ccsdt_lr_alpha2_9_4_1.F OFFSET_ccsdt_lr_alpha2_9_4_1.F ccsdt_lr_alpha2_9_4_2.F ccsdt_lr_alpha2_9_4_3.F ccsdt_lr_alpha2_9_4_3_1.F OFFSET_ccsdt_lr_alpha2_9_4_3_1.F ccsdt_lr_alpha2_9_4_4.F ccsdt_lr_alpha2_9_4_4_1.F OFFSET_ccsdt_lr_alpha2_9_4_4_1.F ccsdt_lr_alpha2_9_5.F ccsdt_lr_alpha2_9_5_1.F OFFSET_ccsdt_lr_alpha2_9_5_1.F ccsdt_lr_alpha2_9_6.F ccsdt_lr_alpha2_9_6_1.F OFFSET_ccsdt_lr_alpha2_9_6_1.F ccsdt_lr_alpha2_9_7.F ccsdt_lr_alpha2_9_7_1.F OFFSET_ccsdt_lr_alpha2_9_7_1.F ccsdt_lr_alpha2_9_7_2.F ccsdt_lr_alpha2_9_7_2_1.F OFFSET_ccsdt_lr_alpha2_9_7_2_1.F ccsdt_lr_alpha2_9_7_3.F ccsdt_lr_alpha2_9_7_3_1.F OFFSET_ccsdt_lr_alpha2_9_7_3_1.F ccsdt_lr_alpha2_9_8.F ccsdt_lr_alpha2_9_8_1.F OFFSET_ccsdt_lr_alpha2_9_8_1.F ccsdt_lr_alpha2_9_9.F ccsdt_lr_alpha2_9_9_1.F OFFSET_ccsdt_lr_alpha2_9_9_1.F ccsdt_lr_alpha2_9_9_2.F ccsdt_lr_alpha2_9_10.F ccsdt_lr_alpha2_9_10_1.F OFFSET_ccsdt_lr_alpha2_9_10_1.F ccsdt_lr_alpha2_9_11.F ccsdt_lr_alpha2_9_11_1.F OFFSET_ccsdt_lr_alpha2_9_11_1.F ccsdt_lr_alpha2_9_12.F ccsdt_lr_alpha2_9_12_1.F OFFSET_ccsdt_lr_alpha2_9_12_1.F ccsdt_lr_alpha2_9_13.F ccsdt_lr_alpha2_9_13_1.F OFFSET_ccsdt_lr_alpha2_9_13_1.F ccsdt_lr_alpha2_9_13_2.F ccsdt_lr_alpha2_9_13_2_1.F OFFSET_ccsdt_lr_alpha2_9_13_2_1.F ccsdt_lr_alpha2_9_13_3.F ccsdt_lr_alpha2_9_13_3_1.F OFFSET_ccsdt_lr_alpha2_9_13_3_1.F ccsdt_lr_alpha2_9_14.F ccsdt_lr_alpha2_9_14_1.F OFFSET_ccsdt_lr_alpha2_9_14_1.F ccsdt_lr_alpha2_9_15.F ccsdt_lr_alpha2_9_15_1.F OFFSET_ccsdt_lr_alpha2_9_15_1.F ccsdt_lr_alpha2_9_15_1_1.F OFFSET_ccsdt_lr_alpha2_9_15_1_1.F ccsdt_lr_alpha2_9_15_1_2.F ccsdt_lr_alpha2_9_15_1_2_1.F OFFSET_ccsdt_lr_alpha2_9_15_1_2_1.F ccsdt_lr_alpha2_9_15_1_2_2.F ccsdt_lr_alpha2_9_15_1_3.F ccsdt_lr_alpha2_9_15_1_3_1.F OFFSET_ccsdt_lr_alpha2_9_15_1_3_1.F ccsdt_lr_alpha2_9_15_1_3_2.F ccsdt_lr_alpha2_9_15_2.F ccsdt_lr_alpha2_9_15_2_1.F OFFSET_ccsdt_lr_alpha2_9_15_2_1.F ccsdt_lr_alpha2_9_15_3.F ccsdt_lr_alpha2_9_15_3_1.F OFFSET_ccsdt_lr_alpha2_9_15_3_1.F ccsdt_lr_alpha2_9_15_4.F ccsdt_lr_alpha2_9_15_4_1.F OFFSET_ccsdt_lr_alpha2_9_15_4_1.F ccsdt_lr_alpha2_9_15_4_2.F ccsdt_lr_alpha2_9_15_4_2_1.F OFFSET_ccsdt_lr_alpha2_9_15_4_2_1.F ccsdt_lr_alpha2_9_15_4_2_2.F ccsdt_lr_alpha2_9_15_4_3.F ccsdt_lr_alpha2_9_15_4_3_1.F OFFSET_ccsdt_lr_alpha2_9_15_4_3_1.F ccsdt_lr_alpha2_9_15_4_3_2.F ccsdt_lr_alpha2_9_15_5.F ccsdt_lr_alpha2_9_15_5_1.F OFFSET_ccsdt_lr_alpha2_9_15_5_1.F ccsdt_lr_alpha2_9_15_6.F ccsdt_lr_alpha2_9_15_6_1.F OFFSET_ccsdt_lr_alpha2_9_15_6_1.F ccsdt_lr_alpha2_9_15_7.F ccsdt_lr_alpha2_9_15_7_1.F OFFSET_ccsdt_lr_alpha2_9_15_7_1.F ccsdt_lr_alpha2_9_15_7_1_1.F OFFSET_ccsdt_lr_alpha2_9_15_7_1_1.F ccsdt_lr_alpha2_9_15_8.F ccsdt_lr_alpha2_9_15_8_1.F OFFSET_ccsdt_lr_alpha2_9_15_8_1.F ccsdt_lr_alpha2_9_15_8_1_1.F OFFSET_ccsdt_lr_alpha2_9_15_8_1_1.F ccsdt_lr_alpha2_9_15_8_2.F ccsdt_lr_alpha2_9_15_8_2_1.F OFFSET_ccsdt_lr_alpha2_9_15_8_2_1.F ccsdt_lr_alpha2_9_16.F ccsdt_lr_alpha2_9_16_1.F OFFSET_ccsdt_lr_alpha2_9_16_1.F ccsdt_lr_alpha2_9_16_1_1.F OFFSET_ccsdt_lr_alpha2_9_16_1_1.F ccsdt_lr_alpha2_9_16_2.F ccsdt_lr_alpha2_9_16_2_1.F OFFSET_ccsdt_lr_alpha2_9_16_2_1.F ccsdt_lr_alpha2_9_17.F ccsdt_lr_alpha2_9_17_1.F OFFSET_ccsdt_lr_alpha2_9_17_1.F ccsdt_lr_alpha2_9_17_1_1.F OFFSET_ccsdt_lr_alpha2_9_17_1_1.F ccsdt_lr_alpha2_9_17_2.F ccsdt_lr_alpha2_9_17_2_1.F OFFSET_ccsdt_lr_alpha2_9_17_2_1.F ccsdt_lr_alpha2_9_18.F ccsdt_lr_alpha2_9_18_1.F OFFSET_ccsdt_lr_alpha2_9_18_1.F ccsdt_lr_alpha2_9_18_1_1.F OFFSET_ccsdt_lr_alpha2_9_18_1_1.F ccsdt_lr_alpha2_9_18_2.F ccsdt_lr_alpha2_9_18_2_1.F OFFSET_ccsdt_lr_alpha2_9_18_2_1.F ccsdt_lr_alpha2_9_19.F ccsdt_lr_alpha2_9_19_1.F OFFSET_ccsdt_lr_alpha2_9_19_1.F ccsdt_lr_alpha2_9_19_1_1.F OFFSET_ccsdt_lr_alpha2_9_19_1_1.F ccsdt_lr_alpha2_9_19_2.F ccsdt_lr_alpha2_9_19_2_1.F OFFSET_ccsdt_lr_alpha2_9_19_2_1.F ccsdt_lr_alpha2_9_19_3.F ccsdt_lr_alpha2_9_19_3_1.F OFFSET_ccsdt_lr_alpha2_9_19_3_1.F ccsdt_lr_alpha2_9_19_4.F ccsdt_lr_alpha2_9_19_4_1.F OFFSET_ccsdt_lr_alpha2_9_19_4_1.F ccsdt_lr_alpha2_9_20.F ccsdt_lr_alpha2_9_20_1.F OFFSET_ccsdt_lr_alpha2_9_20_1.F ccsdt_lr_alpha2_9_20_1_1.F OFFSET_ccsdt_lr_alpha2_9_20_1_1.F ccsdt_lr_alpha2_9_20_2.F ccsdt_lr_alpha2_9_20_2_1.F OFFSET_ccsdt_lr_alpha2_9_20_2_1.F ccsdt_lr_alpha2_9_21.F ccsdt_lr_alpha2_9_21_1.F OFFSET_ccsdt_lr_alpha2_9_21_1.F ccsdt_lr_alpha2_9_21_1_1.F OFFSET_ccsdt_lr_alpha2_9_21_1_1.F ccsdt_lr_alpha2_9_21_2.F ccsdt_lr_alpha2_9_21_2_1.F OFFSET_ccsdt_lr_alpha2_9_21_2_1.F ccsdt_lr_alpha2_9_22.F ccsdt_lr_alpha2_9_22_1.F OFFSET_ccsdt_lr_alpha2_9_22_1.F ccsdt_lr_alpha2_9_22_1_1.F OFFSET_ccsdt_lr_alpha2_9_22_1_1.F ccsdt_lr_alpha2_9_22_1_2.F ccsdt_lr_alpha2_9_22_1_3.F ccsdt_lr_alpha2_9_22_1_3_1.F OFFSET_ccsdt_lr_alpha2_9_22_1_3_1.F ccsdt_lr_alpha2_9_22_1_3_2.F ccsdt_lr_alpha2_9_22_1_4.F ccsdt_lr_alpha2_9_22_1_4_1.F OFFSET_ccsdt_lr_alpha2_9_22_1_4_1.F ccsdt_lr_alpha2_9_22_1_4_2.F ccsdt_lr_alpha2_9_22_2.F ccsdt_lr_alpha2_9_22_2_1.F OFFSET_ccsdt_lr_alpha2_9_22_2_1.F ccsdt_lr_alpha2_9_22_3.F ccsdt_lr_alpha2_9_22_3_1.F OFFSET_ccsdt_lr_alpha2_9_22_3_1.F ccsdt_lr_alpha2_9_22_4.F ccsdt_lr_alpha2_9_22_4_1.F OFFSET_ccsdt_lr_alpha2_9_22_4_1.F ccsdt_lr_alpha2_9_22_4_2.F ccsdt_lr_alpha2_9_22_4_3.F ccsdt_lr_alpha2_9_22_4_3_1.F OFFSET_ccsdt_lr_alpha2_9_22_4_3_1.F ccsdt_lr_alpha2_9_22_4_3_2.F ccsdt_lr_alpha2_9_22_4_4.F ccsdt_lr_alpha2_9_22_4_4_1.F OFFSET_ccsdt_lr_alpha2_9_22_4_4_1.F ccsdt_lr_alpha2_9_22_4_4_2.F ccsdt_lr_alpha2_9_22_5.F ccsdt_lr_alpha2_9_22_5_1.F OFFSET_ccsdt_lr_alpha2_9_22_5_1.F ccsdt_lr_alpha2_9_22_6.F ccsdt_lr_alpha2_9_22_6_1.F OFFSET_ccsdt_lr_alpha2_9_22_6_1.F ccsdt_lr_alpha2_9_22_7.F ccsdt_lr_alpha2_9_22_7_1.F OFFSET_ccsdt_lr_alpha2_9_22_7_1.F ccsdt_lr_alpha2_9_22_7_1_1.F OFFSET_ccsdt_lr_alpha2_9_22_7_1_1.F ccsdt_lr_alpha2_9_22_7_2.F ccsdt_lr_alpha2_9_22_7_2_1.F OFFSET_ccsdt_lr_alpha2_9_22_7_2_1.F ccsdt_lr_alpha2_9_22_8.F ccsdt_lr_alpha2_9_22_8_1.F OFFSET_ccsdt_lr_alpha2_9_22_8_1.F ccsdt_lr_alpha2_9_22_8_1_1.F OFFSET_ccsdt_lr_alpha2_9_22_8_1_1.F ccsdt_lr_alpha2_9_22_8_1_2.F ccsdt_lr_alpha2_9_22_8_2.F ccsdt_lr_alpha2_9_22_8_2_1.F OFFSET_ccsdt_lr_alpha2_9_22_8_2_1.F ccsdt_lr_alpha2_9_22_8_2_2.F ccsdt_lr_alpha2_9_22_9.F ccsdt_lr_alpha2_9_22_9_1.F OFFSET_ccsdt_lr_alpha2_9_22_9_1.F ccsdt_lr_alpha2_9_22_9_1_1.F OFFSET_ccsdt_lr_alpha2_9_22_9_1_1.F ccsdt_lr_alpha2_9_22_9_2.F ccsdt_lr_alpha2_9_22_9_2_1.F OFFSET_ccsdt_lr_alpha2_9_22_9_2_1.F ccsdt_lr_alpha2_9_22_10.F ccsdt_lr_alpha2_9_22_10_1.F OFFSET_ccsdt_lr_alpha2_9_22_10_1.F ccsdt_lr_alpha2_9_22_10_1_1.F OFFSET_ccsdt_lr_alpha2_9_22_10_1_1.F ccsdt_lr_alpha2_9_22_10_2.F ccsdt_lr_alpha2_9_22_10_2_1.F OFFSET_ccsdt_lr_alpha2_9_22_10_2_1.F ccsdt_lr_alpha2_9_23.F ccsdt_lr_alpha2_9_23_1.F OFFSET_ccsdt_lr_alpha2_9_23_1.F ccsdt_lr_alpha2_9_23_1_1.F OFFSET_ccsdt_lr_alpha2_9_23_1_1.F ccsdt_lr_alpha2_9_23_2.F ccsdt_lr_alpha2_9_23_2_1.F OFFSET_ccsdt_lr_alpha2_9_23_2_1.F ccsdt_lr_alpha2_9_24.F ccsdt_lr_alpha2_9_24_1.F OFFSET_ccsdt_lr_alpha2_9_24_1.F ccsdt_lr_alpha2_9_24_1_1.F OFFSET_ccsdt_lr_alpha2_9_24_1_1.F ccsdt_lr_alpha2_9_24_2.F ccsdt_lr_alpha2_9_24_2_1.F OFFSET_ccsdt_lr_alpha2_9_24_2_1.F ccsdt_lr_alpha2_9_25.F ccsdt_lr_alpha2_9_25_1.F OFFSET_ccsdt_lr_alpha2_9_25_1.F ccsdt_lr_alpha2_9_25_1_1.F OFFSET_ccsdt_lr_alpha2_9_25_1_1.F ccsdt_lr_alpha2_9_25_2.F ccsdt_lr_alpha2_9_25_2_1.F OFFSET_ccsdt_lr_alpha2_9_25_2_1.F ccsdt_lr_alpha2_9_25_3.F ccsdt_lr_alpha2_9_25_3_1.F OFFSET_ccsdt_lr_alpha2_9_25_3_1.F ccsdt_lr_alpha2_9_25_4.F ccsdt_lr_alpha2_9_25_4_1.F OFFSET_ccsdt_lr_alpha2_9_25_4_1.F ccsdt_lr_alpha2_9_26.F ccsdt_lr_alpha2_9_26_1.F OFFSET_ccsdt_lr_alpha2_9_26_1.F ccsdt_lr_alpha2_9_26_1_1.F OFFSET_ccsdt_lr_alpha2_9_26_1_1.F ccsdt_lr_alpha2_9_26_2.F ccsdt_lr_alpha2_9_26_2_1.F OFFSET_ccsdt_lr_alpha2_9_26_2_1.F ccsdt_lr_alpha2_9_27.F ccsdt_lr_alpha2_9_27_1.F OFFSET_ccsdt_lr_alpha2_9_27_1.F ccsdt_lr_alpha2_9_27_1_1.F OFFSET_ccsdt_lr_alpha2_9_27_1_1.F ccsdt_lr_alpha2_9_27_2.F ccsdt_lr_alpha2_9_27_2_1.F OFFSET_ccsdt_lr_alpha2_9_27_2_1.F ccsdt_lr_alpha2_9_28.F ccsdt_lr_alpha2_9_28_1.F OFFSET_ccsdt_lr_alpha2_9_28_1.F ccsdt_lr_alpha2_9_28_1_1.F OFFSET_ccsdt_lr_alpha2_9_28_1_1.F ccsdt_lr_alpha2_9_28_1_2.F ccsdt_lr_alpha2_9_28_1_3.F ccsdt_lr_alpha2_9_28_1_3_1.F OFFSET_ccsdt_lr_alpha2_9_28_1_3_1.F ccsdt_lr_alpha2_9_28_1_3_2.F ccsdt_lr_alpha2_9_28_1_4.F ccsdt_lr_alpha2_9_28_1_4_1.F OFFSET_ccsdt_lr_alpha2_9_28_1_4_1.F ccsdt_lr_alpha2_9_28_1_4_2.F ccsdt_lr_alpha2_9_28_2.F ccsdt_lr_alpha2_9_28_2_1.F OFFSET_ccsdt_lr_alpha2_9_28_2_1.F ccsdt_lr_alpha2_9_28_3.F ccsdt_lr_alpha2_9_28_3_1.F OFFSET_ccsdt_lr_alpha2_9_28_3_1.F ccsdt_lr_alpha2_9_28_4.F ccsdt_lr_alpha2_9_28_4_1.F OFFSET_ccsdt_lr_alpha2_9_28_4_1.F ccsdt_lr_alpha2_9_28_4_2.F ccsdt_lr_alpha2_9_28_4_3.F ccsdt_lr_alpha2_9_28_4_3_1.F OFFSET_ccsdt_lr_alpha2_9_28_4_3_1.F ccsdt_lr_alpha2_9_28_4_3_2.F ccsdt_lr_alpha2_9_28_5.F ccsdt_lr_alpha2_9_28_5_1.F OFFSET_ccsdt_lr_alpha2_9_28_5_1.F ccsdt_lr_alpha2_9_28_6.F ccsdt_lr_alpha2_9_28_6_1.F OFFSET_ccsdt_lr_alpha2_9_28_6_1.F ccsdt_lr_alpha2_9_28_7.F ccsdt_lr_alpha2_9_28_7_1.F OFFSET_ccsdt_lr_alpha2_9_28_7_1.F ccsdt_lr_alpha2_9_28_7_1_1.F OFFSET_ccsdt_lr_alpha2_9_28_7_1_1.F ccsdt_lr_alpha2_9_28_7_2.F ccsdt_lr_alpha2_9_28_7_2_1.F OFFSET_ccsdt_lr_alpha2_9_28_7_2_1.F ccsdt_lr_alpha2_9_28_8.F ccsdt_lr_alpha2_9_28_8_1.F OFFSET_ccsdt_lr_alpha2_9_28_8_1.F ccsdt_lr_alpha2_9_28_8_1_1.F OFFSET_ccsdt_lr_alpha2_9_28_8_1_1.F ccsdt_lr_alpha2_9_29.F ccsdt_lr_alpha2_9_29_1.F OFFSET_ccsdt_lr_alpha2_9_29_1.F ccsdt_lr_alpha2_9_29_1_1.F OFFSET_ccsdt_lr_alpha2_9_29_1_1.F ccsdt_lr_alpha2_9_29_2.F ccsdt_lr_alpha2_9_29_2_1.F OFFSET_ccsdt_lr_alpha2_9_29_2_1.F ccsdt_lr_alpha2_9_30.F ccsdt_lr_alpha2_9_30_1.F OFFSET_ccsdt_lr_alpha2_9_30_1.F ccsdt_lr_alpha2_9_30_1_1.F OFFSET_ccsdt_lr_alpha2_9_30_1_1.F ccsdt_lr_alpha2_9_30_2.F ccsdt_lr_alpha2_9_30_2_1.F OFFSET_ccsdt_lr_alpha2_9_30_2_1.F ccsdt_lr_alpha2_9_31.F ccsdt_lr_alpha2_9_31_1.F OFFSET_ccsdt_lr_alpha2_9_31_1.F ccsdt_lr_alpha2_9_31_1_1.F OFFSET_ccsdt_lr_alpha2_9_31_1_1.F ccsdt_lr_alpha2_9_31_2.F ccsdt_lr_alpha2_9_31_2_1.F OFFSET_ccsdt_lr_alpha2_9_31_2_1.F ccsdt_lr_alpha2_9_31_3.F ccsdt_lr_alpha2_9_31_3_1.F OFFSET_ccsdt_lr_alpha2_9_31_3_1.F ccsdt_lr_alpha2_9_31_4.F ccsdt_lr_alpha2_9_31_4_1.F OFFSET_ccsdt_lr_alpha2_9_31_4_1.F ccsdt_lr_alpha2_9_32.F ccsdt_lr_alpha2_9_32_1.F OFFSET_ccsdt_lr_alpha2_9_32_1.F ccsdt_lr_alpha2_9_32_1_1.F OFFSET_ccsdt_lr_alpha2_9_32_1_1.F ccsdt_lr_alpha2_9_32_2.F ccsdt_lr_alpha2_9_32_2_1.F OFFSET_ccsdt_lr_alpha2_9_32_2_1.F ccsdt_lr_alpha2_9_33.F ccsdt_lr_alpha2_9_33_1.F OFFSET_ccsdt_lr_alpha2_9_33_1.F ccsdt_lr_alpha2_9_33_1_1.F OFFSET_ccsdt_lr_alpha2_9_33_1_1.F ccsdt_lr_alpha2_9_33_2.F ccsdt_lr_alpha2_9_33_2_1.F OFFSET_ccsdt_lr_alpha2_9_33_2_1.F ccsdt_lr_alpha2_9_34.F ccsdt_lr_alpha2_9_34_1.F OFFSET_ccsdt_lr_alpha2_9_34_1.F ccsdt_lr_alpha2_9_34_1_1.F OFFSET_ccsdt_lr_alpha2_9_34_1_1.F ccsdt_lr_alpha2_9_34_2.F ccsdt_lr_alpha2_9_34_2_1.F OFFSET_ccsdt_lr_alpha2_9_34_2_1.F ccsdt_lr_alpha2_10.F ccsdt_lr_alpha2_10_1.F OFFSET_ccsdt_lr_alpha2_10_1.F ccsdt_lr_alpha2_10_1_1.F OFFSET_ccsdt_lr_alpha2_10_1_1.F ccsdt_lr_alpha2_10_2.F ccsdt_lr_alpha2_10_2_1.F OFFSET_ccsdt_lr_alpha2_10_2_1.F ccsdt_lr_alpha2_10_3.F ccsdt_lr_alpha2_10_3_1.F OFFSET_ccsdt_lr_alpha2_10_3_1.F ccsdt_lr_alpha2_10_4.F ccsdt_lr_alpha2_10_4_1.F OFFSET_ccsdt_lr_alpha2_10_4_1.F ccsdt_lr_alpha2_10_5.F ccsdt_lr_alpha2_10_5_1.F OFFSET_ccsdt_lr_alpha2_10_5_1.F ccsdt_lr_alpha2_10_6.F ccsdt_lr_alpha2_10_6_1.F OFFSET_ccsdt_lr_alpha2_10_6_1.F ccsdt_lr_alpha2_10_7.F ccsdt_lr_alpha2_10_7_1.F OFFSET_ccsdt_lr_alpha2_10_7_1.F ccsdt_lr_alpha2_10_8.F ccsdt_lr_alpha2_10_8_1.F OFFSET_ccsdt_lr_alpha2_10_8_1.F ccsdt_lr_alpha2_10_9.F ccsdt_lr_alpha2_10_9_1.F OFFSET_ccsdt_lr_alpha2_10_9_1.F ccsdt_lr_alpha2_10_10.F ccsdt_lr_alpha2_10_10_1.F OFFSET_ccsdt_lr_alpha2_10_10_1.F ccsdt_lr_alpha2_10_11.F ccsdt_lr_alpha2_10_11_1.F OFFSET_ccsdt_lr_alpha2_10_11_1.F ccsdt_lr_alpha2_10_11_1_1.F OFFSET_ccsdt_lr_alpha2_10_11_1_1.F ccsdt_lr_alpha2_10_11_2.F ccsdt_lr_alpha2_10_11_2_1.F OFFSET_ccsdt_lr_alpha2_10_11_2_1.F ccsdt_lr_alpha2_10_11_3.F ccsdt_lr_alpha2_10_11_3_1.F OFFSET_ccsdt_lr_alpha2_10_11_3_1.F ccsdt_lr_alpha2_10_11_4.F ccsdt_lr_alpha2_10_11_4_1.F OFFSET_ccsdt_lr_alpha2_10_11_4_1.F ccsdt_lr_alpha2_10_12.F ccsdt_lr_alpha2_10_12_1.F OFFSET_ccsdt_lr_alpha2_10_12_1.F ccsdt_lr_alpha2_10_12_1_1.F OFFSET_ccsdt_lr_alpha2_10_12_1_1.F ccsdt_lr_alpha2_10_12_2.F ccsdt_lr_alpha2_10_12_2_1.F OFFSET_ccsdt_lr_alpha2_10_12_2_1.F ccsdt_lr_alpha2_10_12_3.F ccsdt_lr_alpha2_10_12_3_1.F OFFSET_ccsdt_lr_alpha2_10_12_3_1.F ccsdt_lr_alpha2_10_12_4.F ccsdt_lr_alpha2_10_12_4_1.F OFFSET_ccsdt_lr_alpha2_10_12_4_1.F ccsdt_lr_alpha2_10_13.F ccsdt_lr_alpha2_10_13_1.F OFFSET_ccsdt_lr_alpha2_10_13_1.F ccsdt_lr_alpha2_10_13_1_1.F OFFSET_ccsdt_lr_alpha2_10_13_1_1.F ccsdt_lr_alpha2_10_13_2.F ccsdt_lr_alpha2_10_13_2_1.F OFFSET_ccsdt_lr_alpha2_10_13_2_1.F ccsdt_lr_alpha2_10_13_3.F ccsdt_lr_alpha2_10_13_3_1.F OFFSET_ccsdt_lr_alpha2_10_13_3_1.F ccsdt_lr_alpha2_10_13_4.F ccsdt_lr_alpha2_10_13_4_1.F OFFSET_ccsdt_lr_alpha2_10_13_4_1.F ccsdt_lr_alpha2_11.F ccsdt_lr_alpha2_11_1.F OFFSET_ccsdt_lr_alpha2_11_1.F converting ccsdt_lr_alpha1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_18_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_18_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_7_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_12_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_14_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_14_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_18_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_18_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_20_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_20_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_20_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_21_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_21_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_21_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_23_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_23_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_23_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_24_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_24_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_24_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_24_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_25_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_25_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_25_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_26_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_26_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_26_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_27.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_27_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_27_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_27_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_27_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_27_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_27_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_29.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_29_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_29_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_29_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_29_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_29_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_29_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_29_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_30.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_30_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_30_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_30_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_30_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_30_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_30_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_30_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_31_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_31_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_31_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_31_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_31_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_32.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_32_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_32_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_32_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_32_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_32_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_32_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_32_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_33.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_33_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_33_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_33_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_33_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_33_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_33_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_33_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_34.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_34_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_34_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_34_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_34_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_34_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_34_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_34_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_11_1.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' Making 64_to_32 in ccsdt_yr make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_lambda_o1.F ccsdt_lambda_o1_1.F ccsdt_lambda_o1_1_1.F OFFSET_ccsdt_lambda_o1_1_1.F ccsdt_lambda_o1_1_2.F ccsdt_lambda_o1_2.F ccsdt_lambda_o1_3.F ccsdt_lambda_o1_4.F ccsdt_lambda_o1_4_1.F OFFSET_ccsdt_lambda_o1_4_1.F ccsdt_lambda_o1_4_2.F ccsdt_lambda_o1_4_3.F ccsdt_lambda_o1_5.F ccsdt_lambda_o1_5_1.F OFFSET_ccsdt_lambda_o1_5_1.F ccsdt_lambda_o1_6.F ccsdt_lambda_o1_6_1.F OFFSET_ccsdt_lambda_o1_6_1.F ccsdt_lambda_o2.F ccsdt_lambda_o2_1.F ccsdt_lambda_o2_2.F ccsdt_lambda_o2_2_1.F OFFSET_ccsdt_lambda_o2_2_1.F ccsdt_lambda_o2_2_2.F ccsdt_lambda_o2_3.F ccsdt_lambda_o2_4.F ccsdt_lambda_o2_4_1.F OFFSET_ccsdt_lambda_o2_4_1.F ccsdt_lambda_o2_4_2.F ccsdt_lambda_o2_5.F ccsdt_lambda_o2_5_1.F OFFSET_ccsdt_lambda_o2_5_1.F ccsdt_lambda_o3.F ccsdt_lambda_o3_1.F ccsdt_lambda_o3_2.F ccsdt_lambda_o3_3.F ccsdt_lambda_o3_4.F ccsdt_lambda_o3_4_1.F OFFSET_ccsdt_lambda_o3_4_1.F ccsdt_lambda_o3_5.F ccsdt_lambda_o3_5_1.F OFFSET_ccsdt_lambda_o3_5_1.F ccsdt_y_tr1.F ccsdt_y_tr1_1.F ccsdt_y_tr1_1_1.F OFFSET_ccsdt_y_tr1_1_1.F ccsdt_y_tr1_1_1_1.F OFFSET_ccsdt_y_tr1_1_1_1.F ccsdt_y_tr1_1_1_2.F ccsdt_y_tr1_1_2.F ccsdt_y_tr1_1_3.F ccsdt_y_tr1_1_4.F ccsdt_y_tr1_1_4_1.F OFFSET_ccsdt_y_tr1_1_4_1.F ccsdt_y_tr1_2.F ccsdt_y_tr1_2_1.F OFFSET_ccsdt_y_tr1_2_1.F ccsdt_y_tr1_2_2.F ccsdt_y_tr1_2_3.F ccsdt_y_tr1_3.F ccsdt_y_tr1_3_1.F OFFSET_ccsdt_y_tr1_3_1.F ccsdt_y_tr1_3_2.F ccsdt_y_tr1_3_3.F ccsdt_y_tr1_4.F ccsdt_y_tr1_4_1.F OFFSET_ccsdt_y_tr1_4_1.F ccsdt_y_tr1_4_2.F ccsdt_y_tr1_4_3.F ccsdt_y_tr1_5.F ccsdt_y_tr1_5_1.F OFFSET_ccsdt_y_tr1_5_1.F ccsdt_y_tr1_5_2.F ccsdt_y_tr1_5_2_1.F OFFSET_ccsdt_y_tr1_5_2_1.F ccsdt_y_tr1_5_3.F ccsdt_y_tr1_5_3_1.F OFFSET_ccsdt_y_tr1_5_3_1.F ccsdt_y_tr1_6.F ccsdt_y_tr1_6_1.F OFFSET_ccsdt_y_tr1_6_1.F ccsdt_y_tr1_6_1_1.F OFFSET_ccsdt_y_tr1_6_1_1.F ccsdt_y_tr1_6_1_2.F ccsdt_y_tr1_6_1_2_1.F OFFSET_ccsdt_y_tr1_6_1_2_1.F ccsdt_y_tr1_6_1_2_2.F ccsdt_y_tr1_6_1_3.F ccsdt_y_tr1_6_2.F ccsdt_y_tr1_6_2_1.F OFFSET_ccsdt_y_tr1_6_2_1.F ccsdt_y_tr1_6_2_2.F ccsdt_y_tr1_6_3.F ccsdt_y_tr1_6_3_1.F OFFSET_ccsdt_y_tr1_6_3_1.F ccsdt_y_tr1_6_3_2.F ccsdt_y_tr1_6_4.F ccsdt_y_tr1_6_4_1.F OFFSET_ccsdt_y_tr1_6_4_1.F ccsdt_y_tr1_6_4_2.F ccsdt_y_tr1_6_5.F ccsdt_y_tr1_6_6.F ccsdt_y_tr1_6_7.F ccsdt_y_tr1_6_7_1.F OFFSET_ccsdt_y_tr1_6_7_1.F ccsdt_y_tr1_6_7_1_1.F OFFSET_ccsdt_y_tr1_6_7_1_1.F ccsdt_y_tr1_6_7_1_2.F ccsdt_y_tr1_6_7_2.F ccsdt_y_tr1_6_7_3.F ccsdt_y_tr1_6_7_3_1.F OFFSET_ccsdt_y_tr1_6_7_3_1.F ccsdt_y_tr1_6_8.F ccsdt_y_tr1_6_8_1.F OFFSET_ccsdt_y_tr1_6_8_1.F ccsdt_y_tr1_6_9.F ccsdt_y_tr1_6_9_1.F OFFSET_ccsdt_y_tr1_6_9_1.F ccsdt_y_tr1_6_10.F ccsdt_y_tr1_6_10_1.F OFFSET_ccsdt_y_tr1_6_10_1.F ccsdt_y_tr1_7.F ccsdt_y_tr1_7_1.F OFFSET_ccsdt_y_tr1_7_1.F ccsdt_y_tr1_7_2.F ccsdt_y_tr1_8.F ccsdt_y_tr1_8_1.F OFFSET_ccsdt_y_tr1_8_1.F ccsdt_y_tr1_9.F ccsdt_y_tr1_9_1.F OFFSET_ccsdt_y_tr1_9_1.F ccsdt_y_tr1_9_2.F ccsdt_y_tr1_9_3.F ccsdt_y_tr1_9_3_1.F OFFSET_ccsdt_y_tr1_9_3_1.F ccsdt_y_tr1_9_3_2.F ccsdt_y_tr1_9_3_3.F ccsdt_y_tr1_9_4.F ccsdt_y_tr1_9_4_1.F OFFSET_ccsdt_y_tr1_9_4_1.F ccsdt_y_tr1_9_4_2.F ccsdt_y_tr1_9_4_3.F ccsdt_y_tr1_9_5.F ccsdt_y_tr1_9_5_1.F OFFSET_ccsdt_y_tr1_9_5_1.F ccsdt_y_tr1_9_5_2.F ccsdt_y_tr1_9_5_2_1.F OFFSET_ccsdt_y_tr1_9_5_2_1.F ccsdt_y_tr1_9_5_2_2.F ccsdt_y_tr1_9_6.F ccsdt_y_tr1_9_6_1.F OFFSET_ccsdt_y_tr1_9_6_1.F ccsdt_y_tr1_9_7.F ccsdt_y_tr1_9_7_1.F OFFSET_ccsdt_y_tr1_9_7_1.F ccsdt_y_tr1_9_7_2.F ccsdt_y_tr1_9_7_2_1.F OFFSET_ccsdt_y_tr1_9_7_2_1.F ccsdt_y_tr1_9_7_2_2.F ccsdt_y_tr1_9_8.F ccsdt_y_tr1_9_8_1.F OFFSET_ccsdt_y_tr1_9_8_1.F ccsdt_y_tr1_10.F ccsdt_y_tr1_10_1.F OFFSET_ccsdt_y_tr1_10_1.F ccsdt_y_tr1_10_2.F ccsdt_y_tr1_10_3.F ccsdt_y_tr1_10_3_1.F OFFSET_ccsdt_y_tr1_10_3_1.F ccsdt_y_tr1_10_3_2.F ccsdt_y_tr1_10_3_3.F ccsdt_y_tr1_10_3_3_1.F OFFSET_ccsdt_y_tr1_10_3_3_1.F ccsdt_y_tr1_10_3_3_2.F ccsdt_y_tr1_10_3_4.F ccsdt_y_tr1_10_3_4_1.F OFFSET_ccsdt_y_tr1_10_3_4_1.F ccsdt_y_tr1_10_3_4_2.F ccsdt_y_tr1_10_4.F ccsdt_y_tr1_10_4_1.F OFFSET_ccsdt_y_tr1_10_4_1.F ccsdt_y_tr1_10_5.F ccsdt_y_tr1_10_5_1.F OFFSET_ccsdt_y_tr1_10_5_1.F ccsdt_y_tr1_10_5_2.F ccsdt_y_tr1_10_6.F ccsdt_y_tr1_10_6_1.F OFFSET_ccsdt_y_tr1_10_6_1.F ccsdt_y_tr1_10_7.F ccsdt_y_tr1_10_7_1.F OFFSET_ccsdt_y_tr1_10_7_1.F ccsdt_y_tr1_10_8.F ccsdt_y_tr1_10_8_1.F OFFSET_ccsdt_y_tr1_10_8_1.F ccsdt_y_tr1_10_8_1_1.F OFFSET_ccsdt_y_tr1_10_8_1_1.F ccsdt_y_tr1_10_8_1_2.F ccsdt_y_tr1_10_9.F ccsdt_y_tr1_10_9_1.F OFFSET_ccsdt_y_tr1_10_9_1.F ccsdt_y_tr1_10_9_2.F ccsdt_y_tr1_10_9_3.F ccsdt_y_tr1_10_9_3_1.F OFFSET_ccsdt_y_tr1_10_9_3_1.F ccsdt_y_tr1_10_9_3_2.F ccsdt_y_tr1_10_10.F ccsdt_y_tr1_10_10_1.F OFFSET_ccsdt_y_tr1_10_10_1.F ccsdt_y_tr1_10_11.F ccsdt_y_tr1_10_11_1.F OFFSET_ccsdt_y_tr1_10_11_1.F ccsdt_y_tr1_10_11_2.F ccsdt_y_tr1_10_12.F ccsdt_y_tr1_10_12_1.F OFFSET_ccsdt_y_tr1_10_12_1.F ccsdt_y_tr1_10_13.F ccsdt_y_tr1_10_13_1.F OFFSET_ccsdt_y_tr1_10_13_1.F ccsdt_y_tr1_10_14.F ccsdt_y_tr1_10_14_1.F OFFSET_ccsdt_y_tr1_10_14_1.F ccsdt_y_tr1_10_14_1_1.F OFFSET_ccsdt_y_tr1_10_14_1_1.F ccsdt_y_tr1_10_14_1_2.F ccsdt_y_tr1_10_15.F ccsdt_y_tr1_10_15_1.F OFFSET_ccsdt_y_tr1_10_15_1.F ccsdt_y_tr1_10_15_1_1.F OFFSET_ccsdt_y_tr1_10_15_1_1.F ccsdt_y_tr1_10_16.F ccsdt_y_tr1_10_16_1.F OFFSET_ccsdt_y_tr1_10_16_1.F ccsdt_y_tr1_10_16_1_1.F OFFSET_ccsdt_y_tr1_10_16_1_1.F ccsdt_y_tr1_10_16_2.F ccsdt_y_tr1_10_16_2_1.F OFFSET_ccsdt_y_tr1_10_16_2_1.F ccsdt_y_tr1_11.F ccsdt_y_tr1_11_1.F OFFSET_ccsdt_y_tr1_11_1.F ccsdt_y_tr1_11_2.F ccsdt_y_tr1_11_3.F ccsdt_y_tr1_11_3_1.F OFFSET_ccsdt_y_tr1_11_3_1.F ccsdt_y_tr1_11_4.F ccsdt_y_tr1_11_4_1.F OFFSET_ccsdt_y_tr1_11_4_1.F ccsdt_y_tr1_11_5.F ccsdt_y_tr1_11_5_1.F OFFSET_ccsdt_y_tr1_11_5_1.F ccsdt_y_tr1_11_6.F ccsdt_y_tr1_11_6_1.F OFFSET_ccsdt_y_tr1_11_6_1.F ccsdt_y_tr1_12.F ccsdt_y_tr1_12_1.F OFFSET_ccsdt_y_tr1_12_1.F ccsdt_y_tr1_12_2.F ccsdt_y_tr1_12_3.F ccsdt_y_tr1_12_3_1.F OFFSET_ccsdt_y_tr1_12_3_1.F ccsdt_y_tr1_12_3_2.F ccsdt_y_tr1_12_4.F ccsdt_y_tr1_12_4_1.F OFFSET_ccsdt_y_tr1_12_4_1.F ccsdt_y_tr1_12_4_2.F ccsdt_y_tr1_12_5.F ccsdt_y_tr1_12_5_1.F OFFSET_ccsdt_y_tr1_12_5_1.F ccsdt_y_tr1_12_6.F ccsdt_y_tr1_12_6_1.F OFFSET_ccsdt_y_tr1_12_6_1.F ccsdt_y_tr1_13.F ccsdt_y_tr1_13_1.F OFFSET_ccsdt_y_tr1_13_1.F ccsdt_y_tr1_14.F ccsdt_y_tr1_14_1.F OFFSET_ccsdt_y_tr1_14_1.F ccsdt_y_tr1_14_1_1.F OFFSET_ccsdt_y_tr1_14_1_1.F ccsdt_y_tr1_14_1_2.F ccsdt_y_tr1_14_1_3.F ccsdt_y_tr1_14_1_4.F ccsdt_y_tr1_14_1_4_1.F OFFSET_ccsdt_y_tr1_14_1_4_1.F ccsdt_y_tr1_14_1_4_2.F ccsdt_y_tr1_14_2.F ccsdt_y_tr1_14_2_1.F OFFSET_ccsdt_y_tr1_14_2_1.F ccsdt_y_tr1_14_2_2.F ccsdt_y_tr1_14_3.F ccsdt_y_tr1_14_3_1.F OFFSET_ccsdt_y_tr1_14_3_1.F ccsdt_y_tr1_14_3_2.F ccsdt_y_tr1_14_4.F ccsdt_y_tr1_14_5.F ccsdt_y_tr1_14_5_1.F OFFSET_ccsdt_y_tr1_14_5_1.F ccsdt_y_tr1_14_6.F ccsdt_y_tr1_14_6_1.F OFFSET_ccsdt_y_tr1_14_6_1.F ccsdt_y_tr1_14_6_2.F ccsdt_y_tr1_14_6_3.F ccsdt_y_tr1_14_6_3_1.F OFFSET_ccsdt_y_tr1_14_6_3_1.F ccsdt_y_tr1_14_6_3_2.F ccsdt_y_tr1_14_7.F ccsdt_y_tr1_14_7_1.F OFFSET_ccsdt_y_tr1_14_7_1.F ccsdt_y_tr1_14_8.F ccsdt_y_tr1_14_8_1.F OFFSET_ccsdt_y_tr1_14_8_1.F ccsdt_y_tr1_14_9.F ccsdt_y_tr1_14_9_1.F OFFSET_ccsdt_y_tr1_14_9_1.F ccsdt_y_tr1_14_10.F ccsdt_y_tr1_14_10_1.F OFFSET_ccsdt_y_tr1_14_10_1.F ccsdt_y_tr1_14_10_1_1.F OFFSET_ccsdt_y_tr1_14_10_1_1.F ccsdt_y_tr1_14_10_2.F ccsdt_y_tr1_14_10_2_1.F OFFSET_ccsdt_y_tr1_14_10_2_1.F ccsdt_y_tr1_14_11.F ccsdt_y_tr1_14_11_1.F OFFSET_ccsdt_y_tr1_14_11_1.F ccsdt_y_tr1_14_11_1_1.F OFFSET_ccsdt_y_tr1_14_11_1_1.F ccsdt_y_tr1_15.F ccsdt_y_tr1_15_1.F OFFSET_ccsdt_y_tr1_15_1.F ccsdt_y_tr1_16.F ccsdt_y_tr1_16_1.F OFFSET_ccsdt_y_tr1_16_1.F ccsdt_y_tr1_16_1_1.F OFFSET_ccsdt_y_tr1_16_1_1.F ccsdt_y_tr1_16_2.F ccsdt_y_tr1_16_2_1.F OFFSET_ccsdt_y_tr1_16_2_1.F ccsdt_y_tr1_17.F ccsdt_y_tr1_17_1.F OFFSET_ccsdt_y_tr1_17_1.F ccsdt_y_tr1_17_1_1.F OFFSET_ccsdt_y_tr1_17_1_1.F ccsdt_y_tr1_17_1_1_1.F OFFSET_ccsdt_y_tr1_17_1_1_1.F ccsdt_y_tr1_17_1_1_2.F ccsdt_y_tr1_17_2.F ccsdt_y_tr1_17_2_1.F OFFSET_ccsdt_y_tr1_17_2_1.F ccsdt_y_tr1_17_2_1_1.F OFFSET_ccsdt_y_tr1_17_2_1_1.F ccsdt_y_tr1_17_2_1_2.F ccsdt_y_tr1_17_3.F ccsdt_y_tr1_17_3_1.F OFFSET_ccsdt_y_tr1_17_3_1.F ccsdt_y_tr1_17_3_1_1.F OFFSET_ccsdt_y_tr1_17_3_1_1.F ccsdt_y_tr1_17_4.F ccsdt_y_tr1_17_4_1.F OFFSET_ccsdt_y_tr1_17_4_1.F ccsdt_y_tr1_17_4_1_1.F OFFSET_ccsdt_y_tr1_17_4_1_1.F ccsdt_y_tr1_17_4_2.F ccsdt_y_tr1_17_4_2_1.F OFFSET_ccsdt_y_tr1_17_4_2_1.F ccsdt_y_tr2.F ccsdt_y_tr2_1.F ccsdt_y_tr2_1_1.F OFFSET_ccsdt_y_tr2_1_1.F ccsdt_y_tr2_2.F ccsdt_y_tr2_2_1.F OFFSET_ccsdt_y_tr2_2_1.F ccsdt_y_tr2_2_2.F ccsdt_y_tr2_2_3.F ccsdt_y_tr2_3.F ccsdt_y_tr2_3_1.F OFFSET_ccsdt_y_tr2_3_1.F ccsdt_y_tr2_4.F ccsdt_y_tr2_4_1.F OFFSET_ccsdt_y_tr2_4_1.F ccsdt_y_tr2_4_1_1.F OFFSET_ccsdt_y_tr2_4_1_1.F ccsdt_y_tr2_4_1_2.F ccsdt_y_tr2_4_2.F ccsdt_y_tr2_4_3.F ccsdt_y_tr2_4_4.F ccsdt_y_tr2_4_4_1.F OFFSET_ccsdt_y_tr2_4_4_1.F ccsdt_y_tr2_5.F ccsdt_y_tr2_5_1.F OFFSET_ccsdt_y_tr2_5_1.F ccsdt_y_tr2_5_2.F ccsdt_y_tr2_6.F ccsdt_y_tr2_6_1.F OFFSET_ccsdt_y_tr2_6_1.F ccsdt_y_tr2_6_1_1.F OFFSET_ccsdt_y_tr2_6_1_1.F ccsdt_y_tr2_6_1_2.F ccsdt_y_tr2_6_2.F ccsdt_y_tr2_6_3.F ccsdt_y_tr2_6_3_1.F OFFSET_ccsdt_y_tr2_6_3_1.F ccsdt_y_tr2_7.F ccsdt_y_tr2_7_1.F OFFSET_ccsdt_y_tr2_7_1.F ccsdt_y_tr2_7_2.F ccsdt_y_tr2_8.F ccsdt_y_tr2_8_1.F OFFSET_ccsdt_y_tr2_8_1.F ccsdt_y_tr2_8_2.F ccsdt_y_tr2_9.F ccsdt_y_tr2_9_1.F OFFSET_ccsdt_y_tr2_9_1.F ccsdt_y_tr2_9_2.F ccsdt_y_tr2_10.F ccsdt_y_tr2_10_1.F OFFSET_ccsdt_y_tr2_10_1.F ccsdt_y_tr2_10_2.F ccsdt_y_tr2_10_3.F ccsdt_y_tr2_10_3_1.F OFFSET_ccsdt_y_tr2_10_3_1.F ccsdt_y_tr2_10_4.F ccsdt_y_tr2_10_4_1.F OFFSET_ccsdt_y_tr2_10_4_1.F ccsdt_y_tr2_11.F ccsdt_y_tr2_11_1.F OFFSET_ccsdt_y_tr2_11_1.F ccsdt_y_tr2_11_1_1.F OFFSET_ccsdt_y_tr2_11_1_1.F ccsdt_y_tr2_11_1_2.F ccsdt_y_tr2_11_1_2_1.F OFFSET_ccsdt_y_tr2_11_1_2_1.F ccsdt_y_tr2_11_1_2_2.F ccsdt_y_tr2_11_1_3.F ccsdt_y_tr2_11_2.F ccsdt_y_tr2_11_2_1.F OFFSET_ccsdt_y_tr2_11_2_1.F ccsdt_y_tr2_11_2_2.F ccsdt_y_tr2_11_3.F ccsdt_y_tr2_11_3_1.F OFFSET_ccsdt_y_tr2_11_3_1.F ccsdt_y_tr2_11_3_2.F ccsdt_y_tr2_11_4.F ccsdt_y_tr2_11_4_1.F OFFSET_ccsdt_y_tr2_11_4_1.F ccsdt_y_tr2_11_4_2.F ccsdt_y_tr2_11_5.F ccsdt_y_tr2_11_6.F ccsdt_y_tr2_11_7.F ccsdt_y_tr2_11_7_1.F OFFSET_ccsdt_y_tr2_11_7_1.F ccsdt_y_tr2_11_7_1_1.F OFFSET_ccsdt_y_tr2_11_7_1_1.F ccsdt_y_tr2_11_7_1_2.F ccsdt_y_tr2_11_7_2.F ccsdt_y_tr2_11_7_3.F ccsdt_y_tr2_11_7_3_1.F OFFSET_ccsdt_y_tr2_11_7_3_1.F ccsdt_y_tr2_11_8.F ccsdt_y_tr2_11_8_1.F OFFSET_ccsdt_y_tr2_11_8_1.F ccsdt_y_tr2_11_9.F ccsdt_y_tr2_11_9_1.F OFFSET_ccsdt_y_tr2_11_9_1.F ccsdt_y_tr2_11_10.F ccsdt_y_tr2_11_10_1.F OFFSET_ccsdt_y_tr2_11_10_1.F ccsdt_y_tr2_12.F ccsdt_y_tr2_12_1.F OFFSET_ccsdt_y_tr2_12_1.F ccsdt_y_tr2_13.F ccsdt_y_tr2_13_1.F OFFSET_ccsdt_y_tr2_13_1.F ccsdt_y_tr2_14.F ccsdt_y_tr2_14_1.F OFFSET_ccsdt_y_tr2_14_1.F ccsdt_y_tr2_14_2.F ccsdt_y_tr2_14_2_1.F OFFSET_ccsdt_y_tr2_14_2_1.F ccsdt_y_tr2_14_2_2.F ccsdt_y_tr2_14_3.F ccsdt_y_tr2_14_4.F ccsdt_y_tr2_14_5.F ccsdt_y_tr2_14_5_1.F OFFSET_ccsdt_y_tr2_14_5_1.F ccsdt_y_tr2_14_6.F ccsdt_y_tr2_14_6_1.F OFFSET_ccsdt_y_tr2_14_6_1.F ccsdt_y_tr2_14_7.F ccsdt_y_tr2_14_7_1.F OFFSET_ccsdt_y_tr2_14_7_1.F ccsdt_y_tr2_14_8.F ccsdt_y_tr2_14_8_1.F OFFSET_ccsdt_y_tr2_14_8_1.F ccsdt_y_tr2_14_9.F ccsdt_y_tr2_14_9_1.F OFFSET_ccsdt_y_tr2_14_9_1.F ccsdt_y_tr2_15.F ccsdt_y_tr2_15_1.F OFFSET_ccsdt_y_tr2_15_1.F ccsdt_y_tr2_15_2.F ccsdt_y_tr2_16.F ccsdt_y_tr2_16_1.F OFFSET_ccsdt_y_tr2_16_1.F ccsdt_y_tr2_16_2.F ccsdt_y_tr2_16_3.F ccsdt_y_tr2_16_3_1.F OFFSET_ccsdt_y_tr2_16_3_1.F ccsdt_y_tr2_16_4.F ccsdt_y_tr2_16_4_1.F OFFSET_ccsdt_y_tr2_16_4_1.F ccsdt_y_tr2_16_5.F ccsdt_y_tr2_16_5_1.F OFFSET_ccsdt_y_tr2_16_5_1.F ccsdt_y_tr2_16_6.F ccsdt_y_tr2_16_6_1.F OFFSET_ccsdt_y_tr2_16_6_1.F ccsdt_y_tr2_17.F ccsdt_y_tr2_17_1.F OFFSET_ccsdt_y_tr2_17_1.F ccsdt_y_tr2_18.F ccsdt_y_tr2_18_1.F OFFSET_ccsdt_y_tr2_18_1.F ccsdt_y_tr2_19.F ccsdt_y_tr2_19_1.F OFFSET_ccsdt_y_tr2_19_1.F ccsdt_y_tr2_20.F ccsdt_y_tr2_20_1.F OFFSET_ccsdt_y_tr2_20_1.F ccsdt_y_tr2_20_2.F ccsdt_y_tr2_20_2_1.F OFFSET_ccsdt_y_tr2_20_2_1.F ccsdt_y_tr2_20_2_2.F ccsdt_y_tr2_20_3.F ccsdt_y_tr2_20_3_1.F OFFSET_ccsdt_y_tr2_20_3_1.F ccsdt_y_tr2_20_3_2.F ccsdt_y_tr2_20_4.F ccsdt_y_tr2_20_4_1.F OFFSET_ccsdt_y_tr2_20_4_1.F ccsdt_y_tr2_20_5.F ccsdt_y_tr2_20_5_1.F OFFSET_ccsdt_y_tr2_20_5_1.F ccsdt_y_tr2_21.F ccsdt_y_tr2_21_1.F OFFSET_ccsdt_y_tr2_21_1.F ccsdt_y_tr2_21_1_1.F OFFSET_ccsdt_y_tr2_21_1_1.F ccsdt_y_tr2_21_2.F ccsdt_y_tr2_21_2_1.F OFFSET_ccsdt_y_tr2_21_2_1.F ccsdt_y_tr2_22.F ccsdt_y_tr2_22_1.F OFFSET_ccsdt_y_tr2_22_1.F ccsdt_y_tr2_22_1_1.F OFFSET_ccsdt_y_tr2_22_1_1.F ccsdt_y_tr2_22_2.F ccsdt_y_tr2_22_2_1.F OFFSET_ccsdt_y_tr2_22_2_1.F ccsdt_y_tr2_23.F ccsdt_y_tr2_23_1.F OFFSET_ccsdt_y_tr2_23_1.F ccsdt_y_tr2_23_1_1.F OFFSET_ccsdt_y_tr2_23_1_1.F ccsdt_y_tr2_23_2.F ccsdt_y_tr2_23_2_1.F OFFSET_ccsdt_y_tr2_23_2_1.F ccsdt_y_tr2_23_3.F ccsdt_y_tr2_23_3_1.F OFFSET_ccsdt_y_tr2_23_3_1.F ccsdt_y_tr2_23_3_1_1.F OFFSET_ccsdt_y_tr2_23_3_1_1.F ccsdt_y_tr2_23_4.F ccsdt_y_tr2_23_4_1.F OFFSET_ccsdt_y_tr2_23_4_1.F ccsdt_y_tr2_23_4_1_1.F OFFSET_ccsdt_y_tr2_23_4_1_1.F ccsdt_y_tr2_23_4_2.F ccsdt_y_tr2_23_4_2_1.F OFFSET_ccsdt_y_tr2_23_4_2_1.F ccsdt_y_tr3.F ccsdt_y_tr3_1.F ccsdt_y_tr3_1_1.F OFFSET_ccsdt_y_tr3_1_1.F ccsdt_y_tr3_2.F ccsdt_y_tr3_2_1.F OFFSET_ccsdt_y_tr3_2_1.F ccsdt_y_tr3_2_2.F ccsdt_y_tr3_3.F ccsdt_y_tr3_3_1.F OFFSET_ccsdt_y_tr3_3_1.F ccsdt_y_tr3_4.F ccsdt_y_tr3_4_1.F OFFSET_ccsdt_y_tr3_4_1.F ccsdt_y_tr3_4_1_1.F OFFSET_ccsdt_y_tr3_4_1_1.F ccsdt_y_tr3_4_1_2.F ccsdt_y_tr3_4_2.F ccsdt_y_tr3_4_3.F ccsdt_y_tr3_4_4.F ccsdt_y_tr3_4_4_1.F OFFSET_ccsdt_y_tr3_4_4_1.F ccsdt_y_tr3_5.F ccsdt_y_tr3_5_1.F OFFSET_ccsdt_y_tr3_5_1.F ccsdt_y_tr3_6.F ccsdt_y_tr3_6_1.F OFFSET_ccsdt_y_tr3_6_1.F ccsdt_y_tr3_6_1_1.F OFFSET_ccsdt_y_tr3_6_1_1.F ccsdt_y_tr3_6_1_2.F ccsdt_y_tr3_6_2.F ccsdt_y_tr3_6_3.F ccsdt_y_tr3_6_3_1.F OFFSET_ccsdt_y_tr3_6_3_1.F ccsdt_y_tr3_7.F ccsdt_y_tr3_7_1.F OFFSET_ccsdt_y_tr3_7_1.F ccsdt_y_tr3_8.F ccsdt_y_tr3_8_1.F OFFSET_ccsdt_y_tr3_8_1.F ccsdt_y_tr3_8_2.F ccsdt_y_tr3_8_3.F ccsdt_y_tr3_8_3_1.F OFFSET_ccsdt_y_tr3_8_3_1.F ccsdt_y_tr3_8_4.F ccsdt_y_tr3_8_4_1.F OFFSET_ccsdt_y_tr3_8_4_1.F ccsdt_y_tr3_9.F ccsdt_y_tr3_9_1.F OFFSET_ccsdt_y_tr3_9_1.F ccsdt_y_tr3_10.F ccsdt_y_tr3_10_1.F OFFSET_ccsdt_y_tr3_10_1.F ccsdt_y_tr3_10_2.F ccsdt_y_tr3_10_3.F ccsdt_y_tr3_10_3_1.F OFFSET_ccsdt_y_tr3_10_3_1.F ccsdt_y_tr3_10_4.F ccsdt_y_tr3_10_4_1.F OFFSET_ccsdt_y_tr3_10_4_1.F ccsdt_y_tr3_11.F ccsdt_y_tr3_11_1.F OFFSET_ccsdt_y_tr3_11_1.F ccsdt_y_tr3_12.F ccsdt_y_tr3_12_1.F OFFSET_ccsdt_y_tr3_12_1.F ccsdt_y_tr3_12_2.F ccsdt_y_tr3_12_2_1.F OFFSET_ccsdt_y_tr3_12_2_1.F ccsdt_y_tr3_12_3.F ccsdt_y_tr3_12_3_1.F OFFSET_ccsdt_y_tr3_12_3_1.F converting ccsdt_lambda_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_14_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_14_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_11_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_11_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_12_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_11_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_2_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_16_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_16_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_19_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_20_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_20_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_20_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_21_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_21_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_21_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_22_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_22_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_22_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_8_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_8_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_12_3_1.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' Making 64_to_32 in ccsdt_beta make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_lr_beta_1.F ccsdt_lr_beta_1_1.F ccsdt_lr_beta_1_1_1.F OFFSET_ccsdt_lr_beta_1_1_1.F ccsdt_lr_beta_1_1_2.F ccsdt_lr_beta_1_1_3.F ccsdt_lr_beta_1_2.F ccsdt_lr_beta_1_2_1.F OFFSET_ccsdt_lr_beta_1_2_1.F ccsdt_lr_beta_1_3.F ccsdt_lr_beta_1_3_1.F OFFSET_ccsdt_lr_beta_1_3_1.F ccsdt_lr_beta_1_3_2.F ccsdt_lr_beta_1_3_3.F ccsdt_lr_beta_1_3_3_1.F OFFSET_ccsdt_lr_beta_1_3_3_1.F ccsdt_lr_beta_1_3_3_2.F ccsdt_lr_beta_1_3_3_3.F ccsdt_lr_beta_1_3_4.F ccsdt_lr_beta_1_3_4_1.F OFFSET_ccsdt_lr_beta_1_3_4_1.F ccsdt_lr_beta_1_3_4_2.F ccsdt_lr_beta_1_3_4_3.F ccsdt_lr_beta_1_3_5.F ccsdt_lr_beta_1_3_5_1.F OFFSET_ccsdt_lr_beta_1_3_5_1.F ccsdt_lr_beta_1_3_5_2.F ccsdt_lr_beta_1_3_6.F ccsdt_lr_beta_1_3_6_1.F OFFSET_ccsdt_lr_beta_1_3_6_1.F ccsdt_lr_beta_1_3_7.F ccsdt_lr_beta_1_3_7_1.F OFFSET_ccsdt_lr_beta_1_3_7_1.F ccsdt_lr_beta_1_3_7_2.F ccsdt_lr_beta_1_3_8.F ccsdt_lr_beta_1_3_8_1.F OFFSET_ccsdt_lr_beta_1_3_8_1.F ccsdt_lr_beta_1_4.F ccsdt_lr_beta_1_4_1.F OFFSET_ccsdt_lr_beta_1_4_1.F ccsdt_lr_beta_1_4_2.F ccsdt_lr_beta_2.F ccsdt_lr_beta_2_1.F ccsdt_lr_beta_2_1_1.F OFFSET_ccsdt_lr_beta_2_1_1.F ccsdt_lr_beta_2_1_1_1.F OFFSET_ccsdt_lr_beta_2_1_1_1.F ccsdt_lr_beta_2_1_1_2.F ccsdt_lr_beta_2_1_1_3.F ccsdt_lr_beta_2_1_2.F ccsdt_lr_beta_2_1_2_1.F OFFSET_ccsdt_lr_beta_2_1_2_1.F ccsdt_lr_beta_2_1_2_2.F ccsdt_lr_beta_2_1_2_3.F ccsdt_lr_beta_2_1_3.F ccsdt_lr_beta_2_1_3_1.F OFFSET_ccsdt_lr_beta_2_1_3_1.F ccsdt_lr_beta_2_1_3_2.F ccsdt_lr_beta_2_1_4.F ccsdt_lr_beta_2_1_4_1.F OFFSET_ccsdt_lr_beta_2_1_4_1.F ccsdt_lr_beta_2_1_5.F ccsdt_lr_beta_2_1_5_1.F OFFSET_ccsdt_lr_beta_2_1_5_1.F ccsdt_lr_beta_2_1_5_2.F ccsdt_lr_beta_2_1_6.F ccsdt_lr_beta_2_1_6_1.F OFFSET_ccsdt_lr_beta_2_1_6_1.F ccsdt_lr_beta_2_2.F ccsdt_lr_beta_2_2_1.F OFFSET_ccsdt_lr_beta_2_2_1.F ccsdt_lr_beta_2_2_1_1.F OFFSET_ccsdt_lr_beta_2_2_1_1.F ccsdt_lr_beta_2_2_1_2.F ccsdt_lr_beta_2_2_1_3.F ccsdt_lr_beta_2_2_1_3_1.F OFFSET_ccsdt_lr_beta_2_2_1_3_1.F ccsdt_lr_beta_2_2_1_4.F ccsdt_lr_beta_2_2_1_4_1.F OFFSET_ccsdt_lr_beta_2_2_1_4_1.F ccsdt_lr_beta_2_2_2.F ccsdt_lr_beta_2_2_2_1.F OFFSET_ccsdt_lr_beta_2_2_2_1.F ccsdt_lr_beta_2_2_3.F ccsdt_lr_beta_2_2_3_1.F OFFSET_ccsdt_lr_beta_2_2_3_1.F ccsdt_lr_beta_2_2_4.F ccsdt_lr_beta_2_2_4_1.F OFFSET_ccsdt_lr_beta_2_2_4_1.F ccsdt_lr_beta_2_2_4_2.F ccsdt_lr_beta_2_2_4_3.F ccsdt_lr_beta_2_2_4_3_1.F OFFSET_ccsdt_lr_beta_2_2_4_3_1.F ccsdt_lr_beta_2_2_4_4.F ccsdt_lr_beta_2_2_4_4_1.F OFFSET_ccsdt_lr_beta_2_2_4_4_1.F ccsdt_lr_beta_2_2_5.F ccsdt_lr_beta_2_2_5_1.F OFFSET_ccsdt_lr_beta_2_2_5_1.F ccsdt_lr_beta_2_2_6.F ccsdt_lr_beta_2_2_6_1.F OFFSET_ccsdt_lr_beta_2_2_6_1.F ccsdt_lr_beta_2_2_7.F ccsdt_lr_beta_2_2_7_1.F OFFSET_ccsdt_lr_beta_2_2_7_1.F ccsdt_lr_beta_2_2_8.F ccsdt_lr_beta_2_2_8_1.F OFFSET_ccsdt_lr_beta_2_2_8_1.F ccsdt_lr_beta_2_2_9.F ccsdt_lr_beta_2_2_9_1.F OFFSET_ccsdt_lr_beta_2_2_9_1.F ccsdt_lr_beta_2_2_9_1_1.F OFFSET_ccsdt_lr_beta_2_2_9_1_1.F ccsdt_lr_beta_2_2_9_2.F ccsdt_lr_beta_2_2_9_2_1.F OFFSET_ccsdt_lr_beta_2_2_9_2_1.F ccsdt_lr_beta_2_3.F ccsdt_lr_beta_2_3_1.F OFFSET_ccsdt_lr_beta_2_3_1.F ccsdt_lr_beta_2_3_1_1.F OFFSET_ccsdt_lr_beta_2_3_1_1.F ccsdt_lr_beta_2_3_2.F ccsdt_lr_beta_2_3_2_1.F OFFSET_ccsdt_lr_beta_2_3_2_1.F ccsdt_lr_beta_2_3_3.F ccsdt_lr_beta_2_3_3_1.F OFFSET_ccsdt_lr_beta_2_3_3_1.F ccsdt_lr_beta_2_3_4.F ccsdt_lr_beta_2_3_4_1.F OFFSET_ccsdt_lr_beta_2_3_4_1.F ccsdt_lr_beta_2_4.F ccsdt_lr_beta_2_4_1.F OFFSET_ccsdt_lr_beta_2_4_1.F ccsdt_lr_beta_2_4_1_1.F OFFSET_ccsdt_lr_beta_2_4_1_1.F ccsdt_lr_beta_2_4_1_2.F ccsdt_lr_beta_2_4_2.F ccsdt_lr_beta_2_4_2_1.F OFFSET_ccsdt_lr_beta_2_4_2_1.F ccsdt_lr_beta_2_4_2_2.F ccsdt_lr_beta_2_4_3.F ccsdt_lr_beta_2_4_3_1.F OFFSET_ccsdt_lr_beta_2_4_3_1.F ccsdt_lr_beta_2_4_4.F ccsdt_lr_beta_2_4_4_1.F OFFSET_ccsdt_lr_beta_2_4_4_1.F ccsdt_lr_beta_2_5.F ccsdt_lr_beta_2_5_1.F OFFSET_ccsdt_lr_beta_2_5_1.F ccsdt_lr_beta_2_5_1_1.F OFFSET_ccsdt_lr_beta_2_5_1_1.F ccsdt_lr_beta_2_5_2.F ccsdt_lr_beta_2_5_2_1.F OFFSET_ccsdt_lr_beta_2_5_2_1.F ccsdt_lr_beta_2_5_2_2.F ccsdt_lr_beta_2_5_3.F ccsdt_lr_beta_2_5_3_1.F OFFSET_ccsdt_lr_beta_2_5_3_1.F ccsdt_lr_beta_2_5_3_2.F ccsdt_lr_beta_2_5_3_2_1.F OFFSET_ccsdt_lr_beta_2_5_3_2_1.F ccsdt_lr_beta_2_5_3_3.F ccsdt_lr_beta_2_5_3_3_1.F OFFSET_ccsdt_lr_beta_2_5_3_3_1.F ccsdt_lr_beta_2_5_3_4.F ccsdt_lr_beta_2_5_3_4_1.F OFFSET_ccsdt_lr_beta_2_5_3_4_1.F ccsdt_lr_beta_2_5_3_5.F ccsdt_lr_beta_2_5_3_5_1.F OFFSET_ccsdt_lr_beta_2_5_3_5_1.F ccsdt_lr_beta_2_5_3_6.F ccsdt_lr_beta_2_5_3_6_1.F OFFSET_ccsdt_lr_beta_2_5_3_6_1.F ccsdt_lr_beta_2_5_3_7.F ccsdt_lr_beta_2_5_3_7_1.F OFFSET_ccsdt_lr_beta_2_5_3_7_1.F ccsdt_lr_beta_2_5_4.F ccsdt_lr_beta_2_5_4_1.F OFFSET_ccsdt_lr_beta_2_5_4_1.F ccsdt_lr_beta_2_5_4_2.F ccsdt_lr_beta_2_5_5.F ccsdt_lr_beta_2_5_5_1.F OFFSET_ccsdt_lr_beta_2_5_5_1.F ccsdt_lr_beta_2_5_6.F ccsdt_lr_beta_2_5_6_1.F OFFSET_ccsdt_lr_beta_2_5_6_1.F ccsdt_lr_beta_2_5_7.F ccsdt_lr_beta_2_5_7_1.F OFFSET_ccsdt_lr_beta_2_5_7_1.F ccsdt_lr_beta_2_5_8.F ccsdt_lr_beta_2_5_8_1.F OFFSET_ccsdt_lr_beta_2_5_8_1.F ccsdt_lr_beta_2_5_9.F ccsdt_lr_beta_2_5_9_1.F OFFSET_ccsdt_lr_beta_2_5_9_1.F ccsdt_lr_beta_2_5_9_2.F ccsdt_lr_beta_2_5_10.F ccsdt_lr_beta_2_5_10_1.F OFFSET_ccsdt_lr_beta_2_5_10_1.F ccsdt_lr_beta_2_5_10_2.F ccsdt_lr_beta_2_5_10_2_1.F OFFSET_ccsdt_lr_beta_2_5_10_2_1.F ccsdt_lr_beta_2_5_10_3.F ccsdt_lr_beta_2_5_10_3_1.F OFFSET_ccsdt_lr_beta_2_5_10_3_1.F ccsdt_lr_beta_2_5_10_4.F ccsdt_lr_beta_2_5_10_4_1.F OFFSET_ccsdt_lr_beta_2_5_10_4_1.F ccsdt_lr_beta_2_5_10_5.F ccsdt_lr_beta_2_5_10_5_1.F OFFSET_ccsdt_lr_beta_2_5_10_5_1.F ccsdt_lr_beta_2_5_10_6.F ccsdt_lr_beta_2_5_10_6_1.F OFFSET_ccsdt_lr_beta_2_5_10_6_1.F ccsdt_lr_beta_2_5_10_7.F ccsdt_lr_beta_2_5_10_7_1.F OFFSET_ccsdt_lr_beta_2_5_10_7_1.F ccsdt_lr_beta_2_5_11.F ccsdt_lr_beta_2_5_11_1.F OFFSET_ccsdt_lr_beta_2_5_11_1.F ccsdt_lr_beta_2_5_11_2.F ccsdt_lr_beta_2_5_12.F ccsdt_lr_beta_2_5_12_1.F OFFSET_ccsdt_lr_beta_2_5_12_1.F ccsdt_lr_beta_2_5_13.F ccsdt_lr_beta_2_5_13_1.F OFFSET_ccsdt_lr_beta_2_5_13_1.F ccsdt_lr_beta_2_5_14.F ccsdt_lr_beta_2_5_14_1.F OFFSET_ccsdt_lr_beta_2_5_14_1.F ccsdt_lr_beta_2_5_15.F ccsdt_lr_beta_2_5_15_1.F OFFSET_ccsdt_lr_beta_2_5_15_1.F ccsdt_lr_beta_2_5_15_1_1.F OFFSET_ccsdt_lr_beta_2_5_15_1_1.F ccsdt_lr_beta_2_5_15_2.F ccsdt_lr_beta_2_5_15_2_1.F OFFSET_ccsdt_lr_beta_2_5_15_2_1.F ccsdt_lr_beta_2_5_15_3.F ccsdt_lr_beta_2_5_15_3_1.F OFFSET_ccsdt_lr_beta_2_5_15_3_1.F ccsdt_lr_beta_2_5_15_4.F ccsdt_lr_beta_2_5_15_4_1.F OFFSET_ccsdt_lr_beta_2_5_15_4_1.F ccsdt_lr_beta_2_5_15_5.F ccsdt_lr_beta_2_5_15_5_1.F OFFSET_ccsdt_lr_beta_2_5_15_5_1.F ccsdt_lr_beta_2_5_15_6.F ccsdt_lr_beta_2_5_15_6_1.F OFFSET_ccsdt_lr_beta_2_5_15_6_1.F ccsdt_lr_beta_2_5_16.F ccsdt_lr_beta_2_5_16_1.F OFFSET_ccsdt_lr_beta_2_5_16_1.F ccsdt_lr_beta_2_5_16_1_1.F OFFSET_ccsdt_lr_beta_2_5_16_1_1.F ccsdt_lr_beta_2_5_16_2.F ccsdt_lr_beta_2_5_16_2_1.F OFFSET_ccsdt_lr_beta_2_5_16_2_1.F ccsdt_lr_beta_2_5_17.F ccsdt_lr_beta_2_5_17_1.F OFFSET_ccsdt_lr_beta_2_5_17_1.F ccsdt_lr_beta_2_5_17_1_1.F OFFSET_ccsdt_lr_beta_2_5_17_1_1.F ccsdt_lr_beta_2_5_17_2.F ccsdt_lr_beta_2_5_17_2_1.F OFFSET_ccsdt_lr_beta_2_5_17_2_1.F ccsdt_lr_beta_2_5_18.F ccsdt_lr_beta_2_5_18_1.F OFFSET_ccsdt_lr_beta_2_5_18_1.F ccsdt_lr_beta_2_5_18_1_1.F OFFSET_ccsdt_lr_beta_2_5_18_1_1.F ccsdt_lr_beta_2_5_18_2.F ccsdt_lr_beta_2_5_18_2_1.F OFFSET_ccsdt_lr_beta_2_5_18_2_1.F ccsdt_lr_beta_2_6.F ccsdt_lr_beta_2_6_1.F OFFSET_ccsdt_lr_beta_2_6_1.F ccsdt_lr_beta_2_6_1_1.F OFFSET_ccsdt_lr_beta_2_6_1_1.F ccsdt_lr_beta_2_6_1_2.F ccsdt_lr_beta_2_6_1_3.F ccsdt_lr_beta_2_6_1_3_1.F OFFSET_ccsdt_lr_beta_2_6_1_3_1.F ccsdt_lr_beta_2_6_1_3_2.F ccsdt_lr_beta_2_6_1_4.F ccsdt_lr_beta_2_6_1_4_1.F OFFSET_ccsdt_lr_beta_2_6_1_4_1.F ccsdt_lr_beta_2_6_1_4_2.F ccsdt_lr_beta_2_6_2.F ccsdt_lr_beta_2_6_2_1.F OFFSET_ccsdt_lr_beta_2_6_2_1.F ccsdt_lr_beta_2_6_3.F ccsdt_lr_beta_2_6_3_1.F OFFSET_ccsdt_lr_beta_2_6_3_1.F ccsdt_lr_beta_2_6_3_2.F ccsdt_lr_beta_2_6_4.F ccsdt_lr_beta_2_6_4_1.F OFFSET_ccsdt_lr_beta_2_6_4_1.F ccsdt_lr_beta_2_6_4_1_1.F OFFSET_ccsdt_lr_beta_2_6_4_1_1.F ccsdt_lr_beta_2_6_4_1_2.F ccsdt_lr_beta_2_6_5.F ccsdt_lr_beta_2_6_5_1.F OFFSET_ccsdt_lr_beta_2_6_5_1.F ccsdt_lr_beta_2_6_6.F ccsdt_lr_beta_2_6_6_1.F OFFSET_ccsdt_lr_beta_2_6_6_1.F ccsdt_lr_beta_2_6_7.F ccsdt_lr_beta_2_6_7_1.F OFFSET_ccsdt_lr_beta_2_6_7_1.F ccsdt_lr_beta_2_6_7_2.F ccsdt_lr_beta_2_6_7_3.F ccsdt_lr_beta_2_6_7_3_1.F OFFSET_ccsdt_lr_beta_2_6_7_3_1.F ccsdt_lr_beta_2_6_7_3_2.F ccsdt_lr_beta_2_6_7_4.F ccsdt_lr_beta_2_6_7_4_1.F OFFSET_ccsdt_lr_beta_2_6_7_4_1.F ccsdt_lr_beta_2_6_7_4_2.F ccsdt_lr_beta_2_6_8.F ccsdt_lr_beta_2_6_8_1.F OFFSET_ccsdt_lr_beta_2_6_8_1.F ccsdt_lr_beta_2_6_9.F ccsdt_lr_beta_2_6_9_1.F OFFSET_ccsdt_lr_beta_2_6_9_1.F ccsdt_lr_beta_2_6_9_2.F ccsdt_lr_beta_2_6_10.F ccsdt_lr_beta_2_6_10_1.F OFFSET_ccsdt_lr_beta_2_6_10_1.F ccsdt_lr_beta_2_6_11.F ccsdt_lr_beta_2_6_11_1.F OFFSET_ccsdt_lr_beta_2_6_11_1.F ccsdt_lr_beta_2_6_12.F ccsdt_lr_beta_2_6_12_1.F OFFSET_ccsdt_lr_beta_2_6_12_1.F ccsdt_lr_beta_2_6_12_1_1.F OFFSET_ccsdt_lr_beta_2_6_12_1_1.F ccsdt_lr_beta_2_6_12_2.F ccsdt_lr_beta_2_6_12_2_1.F OFFSET_ccsdt_lr_beta_2_6_12_2_1.F ccsdt_lr_beta_2_6_13.F ccsdt_lr_beta_2_6_13_1.F OFFSET_ccsdt_lr_beta_2_6_13_1.F ccsdt_lr_beta_2_6_13_1_1.F OFFSET_ccsdt_lr_beta_2_6_13_1_1.F ccsdt_lr_beta_2_6_13_1_2.F ccsdt_lr_beta_2_6_13_2.F ccsdt_lr_beta_2_6_13_2_1.F OFFSET_ccsdt_lr_beta_2_6_13_2_1.F ccsdt_lr_beta_2_6_13_2_2.F ccsdt_lr_beta_2_6_14.F ccsdt_lr_beta_2_6_14_1.F OFFSET_ccsdt_lr_beta_2_6_14_1.F ccsdt_lr_beta_2_6_14_1_1.F OFFSET_ccsdt_lr_beta_2_6_14_1_1.F ccsdt_lr_beta_2_6_14_2.F ccsdt_lr_beta_2_6_14_2_1.F OFFSET_ccsdt_lr_beta_2_6_14_2_1.F ccsdt_lr_beta_2_6_15.F ccsdt_lr_beta_2_6_15_1.F OFFSET_ccsdt_lr_beta_2_6_15_1.F ccsdt_lr_beta_2_6_15_1_1.F OFFSET_ccsdt_lr_beta_2_6_15_1_1.F ccsdt_lr_beta_2_6_15_2.F ccsdt_lr_beta_2_6_15_2_1.F OFFSET_ccsdt_lr_beta_2_6_15_2_1.F ccsdt_lr_beta_2_7.F ccsdt_lr_beta_2_7_1.F OFFSET_ccsdt_lr_beta_2_7_1.F ccsdt_lr_beta_2_7_1_1.F OFFSET_ccsdt_lr_beta_2_7_1_1.F ccsdt_lr_beta_2_7_2.F ccsdt_lr_beta_2_7_2_1.F OFFSET_ccsdt_lr_beta_2_7_2_1.F ccsdt_lr_beta_2_8.F ccsdt_lr_beta_2_8_1.F OFFSET_ccsdt_lr_beta_2_8_1.F ccsdt_lr_beta_2_8_1_1.F OFFSET_ccsdt_lr_beta_2_8_1_1.F ccsdt_lr_beta_2_8_1_2.F ccsdt_lr_beta_2_8_2.F ccsdt_lr_beta_2_8_2_1.F OFFSET_ccsdt_lr_beta_2_8_2_1.F ccsdt_lr_beta_2_8_2_2.F ccsdt_lr_beta_2_8_2_3.F ccsdt_lr_beta_2_8_2_3_1.F OFFSET_ccsdt_lr_beta_2_8_2_3_1.F ccsdt_lr_beta_2_8_2_4.F ccsdt_lr_beta_2_8_2_4_1.F OFFSET_ccsdt_lr_beta_2_8_2_4_1.F ccsdt_lr_beta_2_8_3.F ccsdt_lr_beta_2_8_3_1.F OFFSET_ccsdt_lr_beta_2_8_3_1.F ccsdt_lr_beta_2_8_4.F ccsdt_lr_beta_2_8_4_1.F OFFSET_ccsdt_lr_beta_2_8_4_1.F ccsdt_lr_beta_2_8_4_2.F ccsdt_lr_beta_2_8_4_3.F ccsdt_lr_beta_2_8_4_3_1.F OFFSET_ccsdt_lr_beta_2_8_4_3_1.F ccsdt_lr_beta_2_8_4_4.F ccsdt_lr_beta_2_8_4_4_1.F OFFSET_ccsdt_lr_beta_2_8_4_4_1.F ccsdt_lr_beta_2_8_5.F ccsdt_lr_beta_2_8_5_1.F OFFSET_ccsdt_lr_beta_2_8_5_1.F ccsdt_lr_beta_2_8_6.F ccsdt_lr_beta_2_8_6_1.F OFFSET_ccsdt_lr_beta_2_8_6_1.F ccsdt_lr_beta_2_8_7.F ccsdt_lr_beta_2_8_7_1.F OFFSET_ccsdt_lr_beta_2_8_7_1.F ccsdt_lr_beta_2_8_7_2.F ccsdt_lr_beta_2_8_7_2_1.F OFFSET_ccsdt_lr_beta_2_8_7_2_1.F ccsdt_lr_beta_2_8_7_3.F ccsdt_lr_beta_2_8_7_3_1.F OFFSET_ccsdt_lr_beta_2_8_7_3_1.F ccsdt_lr_beta_2_8_8.F ccsdt_lr_beta_2_8_8_1.F OFFSET_ccsdt_lr_beta_2_8_8_1.F ccsdt_lr_beta_2_8_9.F ccsdt_lr_beta_2_8_9_1.F OFFSET_ccsdt_lr_beta_2_8_9_1.F ccsdt_lr_beta_2_8_9_2.F ccsdt_lr_beta_2_8_10.F ccsdt_lr_beta_2_8_10_1.F OFFSET_ccsdt_lr_beta_2_8_10_1.F ccsdt_lr_beta_2_8_11.F ccsdt_lr_beta_2_8_11_1.F OFFSET_ccsdt_lr_beta_2_8_11_1.F ccsdt_lr_beta_2_8_12.F ccsdt_lr_beta_2_8_12_1.F OFFSET_ccsdt_lr_beta_2_8_12_1.F ccsdt_lr_beta_2_8_13.F ccsdt_lr_beta_2_8_13_1.F OFFSET_ccsdt_lr_beta_2_8_13_1.F ccsdt_lr_beta_2_8_13_2.F ccsdt_lr_beta_2_8_13_2_1.F OFFSET_ccsdt_lr_beta_2_8_13_2_1.F ccsdt_lr_beta_2_8_13_3.F ccsdt_lr_beta_2_8_13_3_1.F OFFSET_ccsdt_lr_beta_2_8_13_3_1.F ccsdt_lr_beta_2_8_14.F ccsdt_lr_beta_2_8_14_1.F OFFSET_ccsdt_lr_beta_2_8_14_1.F ccsdt_lr_beta_2_8_15.F ccsdt_lr_beta_2_8_15_1.F OFFSET_ccsdt_lr_beta_2_8_15_1.F ccsdt_lr_beta_2_8_15_1_1.F OFFSET_ccsdt_lr_beta_2_8_15_1_1.F ccsdt_lr_beta_2_8_15_1_2.F ccsdt_lr_beta_2_8_15_1_2_1.F OFFSET_ccsdt_lr_beta_2_8_15_1_2_1.F ccsdt_lr_beta_2_8_15_1_2_2.F ccsdt_lr_beta_2_8_15_1_3.F ccsdt_lr_beta_2_8_15_1_3_1.F OFFSET_ccsdt_lr_beta_2_8_15_1_3_1.F ccsdt_lr_beta_2_8_15_1_3_2.F ccsdt_lr_beta_2_8_15_2.F ccsdt_lr_beta_2_8_15_2_1.F OFFSET_ccsdt_lr_beta_2_8_15_2_1.F ccsdt_lr_beta_2_8_15_3.F ccsdt_lr_beta_2_8_15_3_1.F OFFSET_ccsdt_lr_beta_2_8_15_3_1.F ccsdt_lr_beta_2_8_15_4.F ccsdt_lr_beta_2_8_15_4_1.F OFFSET_ccsdt_lr_beta_2_8_15_4_1.F ccsdt_lr_beta_2_8_15_4_2.F ccsdt_lr_beta_2_8_15_4_2_1.F OFFSET_ccsdt_lr_beta_2_8_15_4_2_1.F ccsdt_lr_beta_2_8_15_4_2_2.F ccsdt_lr_beta_2_8_15_4_3.F ccsdt_lr_beta_2_8_15_4_3_1.F OFFSET_ccsdt_lr_beta_2_8_15_4_3_1.F ccsdt_lr_beta_2_8_15_4_3_2.F ccsdt_lr_beta_2_8_15_5.F ccsdt_lr_beta_2_8_15_5_1.F OFFSET_ccsdt_lr_beta_2_8_15_5_1.F ccsdt_lr_beta_2_8_15_6.F ccsdt_lr_beta_2_8_15_6_1.F OFFSET_ccsdt_lr_beta_2_8_15_6_1.F ccsdt_lr_beta_2_8_15_7.F ccsdt_lr_beta_2_8_15_7_1.F OFFSET_ccsdt_lr_beta_2_8_15_7_1.F ccsdt_lr_beta_2_8_15_7_1_1.F OFFSET_ccsdt_lr_beta_2_8_15_7_1_1.F ccsdt_lr_beta_2_8_15_8.F ccsdt_lr_beta_2_8_15_8_1.F OFFSET_ccsdt_lr_beta_2_8_15_8_1.F ccsdt_lr_beta_2_8_15_8_1_1.F OFFSET_ccsdt_lr_beta_2_8_15_8_1_1.F ccsdt_lr_beta_2_8_15_8_2.F ccsdt_lr_beta_2_8_15_8_2_1.F OFFSET_ccsdt_lr_beta_2_8_15_8_2_1.F ccsdt_lr_beta_2_8_16.F ccsdt_lr_beta_2_8_16_1.F OFFSET_ccsdt_lr_beta_2_8_16_1.F ccsdt_lr_beta_2_8_16_1_1.F OFFSET_ccsdt_lr_beta_2_8_16_1_1.F ccsdt_lr_beta_2_8_16_2.F ccsdt_lr_beta_2_8_16_2_1.F OFFSET_ccsdt_lr_beta_2_8_16_2_1.F ccsdt_lr_beta_2_8_17.F ccsdt_lr_beta_2_8_17_1.F OFFSET_ccsdt_lr_beta_2_8_17_1.F ccsdt_lr_beta_2_8_17_1_1.F OFFSET_ccsdt_lr_beta_2_8_17_1_1.F ccsdt_lr_beta_2_8_17_2.F ccsdt_lr_beta_2_8_17_2_1.F OFFSET_ccsdt_lr_beta_2_8_17_2_1.F ccsdt_lr_beta_2_8_18.F ccsdt_lr_beta_2_8_18_1.F OFFSET_ccsdt_lr_beta_2_8_18_1.F ccsdt_lr_beta_2_8_18_1_1.F OFFSET_ccsdt_lr_beta_2_8_18_1_1.F ccsdt_lr_beta_2_8_18_2.F ccsdt_lr_beta_2_8_18_2_1.F OFFSET_ccsdt_lr_beta_2_8_18_2_1.F ccsdt_lr_beta_2_8_19.F ccsdt_lr_beta_2_8_19_1.F OFFSET_ccsdt_lr_beta_2_8_19_1.F ccsdt_lr_beta_2_8_19_1_1.F OFFSET_ccsdt_lr_beta_2_8_19_1_1.F ccsdt_lr_beta_2_8_19_2.F ccsdt_lr_beta_2_8_19_2_1.F OFFSET_ccsdt_lr_beta_2_8_19_2_1.F ccsdt_lr_beta_2_8_19_3.F ccsdt_lr_beta_2_8_19_3_1.F OFFSET_ccsdt_lr_beta_2_8_19_3_1.F ccsdt_lr_beta_2_8_19_4.F ccsdt_lr_beta_2_8_19_4_1.F OFFSET_ccsdt_lr_beta_2_8_19_4_1.F ccsdt_lr_beta_2_8_20.F ccsdt_lr_beta_2_8_20_1.F OFFSET_ccsdt_lr_beta_2_8_20_1.F ccsdt_lr_beta_2_8_20_1_1.F OFFSET_ccsdt_lr_beta_2_8_20_1_1.F ccsdt_lr_beta_2_8_20_2.F ccsdt_lr_beta_2_8_20_2_1.F OFFSET_ccsdt_lr_beta_2_8_20_2_1.F ccsdt_lr_beta_2_8_21.F ccsdt_lr_beta_2_8_21_1.F OFFSET_ccsdt_lr_beta_2_8_21_1.F ccsdt_lr_beta_2_8_21_1_1.F OFFSET_ccsdt_lr_beta_2_8_21_1_1.F ccsdt_lr_beta_2_8_21_2.F ccsdt_lr_beta_2_8_21_2_1.F OFFSET_ccsdt_lr_beta_2_8_21_2_1.F ccsdt_lr_beta_2_8_22.F ccsdt_lr_beta_2_8_22_1.F OFFSET_ccsdt_lr_beta_2_8_22_1.F ccsdt_lr_beta_2_8_22_1_1.F OFFSET_ccsdt_lr_beta_2_8_22_1_1.F ccsdt_lr_beta_2_8_22_1_2.F ccsdt_lr_beta_2_8_22_1_3.F ccsdt_lr_beta_2_8_22_1_3_1.F OFFSET_ccsdt_lr_beta_2_8_22_1_3_1.F ccsdt_lr_beta_2_8_22_1_3_2.F ccsdt_lr_beta_2_8_22_1_4.F ccsdt_lr_beta_2_8_22_1_4_1.F OFFSET_ccsdt_lr_beta_2_8_22_1_4_1.F ccsdt_lr_beta_2_8_22_1_4_2.F ccsdt_lr_beta_2_8_22_2.F ccsdt_lr_beta_2_8_22_2_1.F OFFSET_ccsdt_lr_beta_2_8_22_2_1.F ccsdt_lr_beta_2_8_22_3.F ccsdt_lr_beta_2_8_22_3_1.F OFFSET_ccsdt_lr_beta_2_8_22_3_1.F ccsdt_lr_beta_2_8_22_4.F ccsdt_lr_beta_2_8_22_4_1.F OFFSET_ccsdt_lr_beta_2_8_22_4_1.F ccsdt_lr_beta_2_8_22_4_2.F ccsdt_lr_beta_2_8_22_4_3.F ccsdt_lr_beta_2_8_22_4_3_1.F OFFSET_ccsdt_lr_beta_2_8_22_4_3_1.F ccsdt_lr_beta_2_8_22_4_3_2.F ccsdt_lr_beta_2_8_22_4_4.F ccsdt_lr_beta_2_8_22_4_4_1.F OFFSET_ccsdt_lr_beta_2_8_22_4_4_1.F ccsdt_lr_beta_2_8_22_4_4_2.F ccsdt_lr_beta_2_8_22_5.F ccsdt_lr_beta_2_8_22_5_1.F OFFSET_ccsdt_lr_beta_2_8_22_5_1.F ccsdt_lr_beta_2_8_22_6.F ccsdt_lr_beta_2_8_22_6_1.F OFFSET_ccsdt_lr_beta_2_8_22_6_1.F ccsdt_lr_beta_2_8_22_7.F ccsdt_lr_beta_2_8_22_7_1.F OFFSET_ccsdt_lr_beta_2_8_22_7_1.F ccsdt_lr_beta_2_8_22_7_1_1.F OFFSET_ccsdt_lr_beta_2_8_22_7_1_1.F ccsdt_lr_beta_2_8_22_7_2.F ccsdt_lr_beta_2_8_22_7_2_1.F OFFSET_ccsdt_lr_beta_2_8_22_7_2_1.F ccsdt_lr_beta_2_8_22_8.F ccsdt_lr_beta_2_8_22_8_1.F OFFSET_ccsdt_lr_beta_2_8_22_8_1.F ccsdt_lr_beta_2_8_22_8_1_1.F OFFSET_ccsdt_lr_beta_2_8_22_8_1_1.F ccsdt_lr_beta_2_8_22_8_1_2.F ccsdt_lr_beta_2_8_22_8_2.F ccsdt_lr_beta_2_8_22_8_2_1.F OFFSET_ccsdt_lr_beta_2_8_22_8_2_1.F ccsdt_lr_beta_2_8_22_8_2_2.F ccsdt_lr_beta_2_8_22_9.F ccsdt_lr_beta_2_8_22_9_1.F OFFSET_ccsdt_lr_beta_2_8_22_9_1.F ccsdt_lr_beta_2_8_22_9_1_1.F OFFSET_ccsdt_lr_beta_2_8_22_9_1_1.F ccsdt_lr_beta_2_8_22_9_2.F ccsdt_lr_beta_2_8_22_9_2_1.F OFFSET_ccsdt_lr_beta_2_8_22_9_2_1.F ccsdt_lr_beta_2_8_22_10.F ccsdt_lr_beta_2_8_22_10_1.F OFFSET_ccsdt_lr_beta_2_8_22_10_1.F ccsdt_lr_beta_2_8_22_10_1_1.F OFFSET_ccsdt_lr_beta_2_8_22_10_1_1.F ccsdt_lr_beta_2_8_22_10_2.F ccsdt_lr_beta_2_8_22_10_2_1.F OFFSET_ccsdt_lr_beta_2_8_22_10_2_1.F ccsdt_lr_beta_2_8_23.F ccsdt_lr_beta_2_8_23_1.F OFFSET_ccsdt_lr_beta_2_8_23_1.F ccsdt_lr_beta_2_8_23_1_1.F OFFSET_ccsdt_lr_beta_2_8_23_1_1.F ccsdt_lr_beta_2_8_23_2.F ccsdt_lr_beta_2_8_23_2_1.F OFFSET_ccsdt_lr_beta_2_8_23_2_1.F ccsdt_lr_beta_2_8_24.F ccsdt_lr_beta_2_8_24_1.F OFFSET_ccsdt_lr_beta_2_8_24_1.F ccsdt_lr_beta_2_8_24_1_1.F OFFSET_ccsdt_lr_beta_2_8_24_1_1.F ccsdt_lr_beta_2_8_24_2.F ccsdt_lr_beta_2_8_24_2_1.F OFFSET_ccsdt_lr_beta_2_8_24_2_1.F ccsdt_lr_beta_2_8_25.F ccsdt_lr_beta_2_8_25_1.F OFFSET_ccsdt_lr_beta_2_8_25_1.F ccsdt_lr_beta_2_8_25_1_1.F OFFSET_ccsdt_lr_beta_2_8_25_1_1.F ccsdt_lr_beta_2_8_25_2.F ccsdt_lr_beta_2_8_25_2_1.F OFFSET_ccsdt_lr_beta_2_8_25_2_1.F ccsdt_lr_beta_2_8_25_3.F ccsdt_lr_beta_2_8_25_3_1.F OFFSET_ccsdt_lr_beta_2_8_25_3_1.F ccsdt_lr_beta_2_8_25_4.F ccsdt_lr_beta_2_8_25_4_1.F OFFSET_ccsdt_lr_beta_2_8_25_4_1.F ccsdt_lr_beta_2_8_26.F ccsdt_lr_beta_2_8_26_1.F OFFSET_ccsdt_lr_beta_2_8_26_1.F ccsdt_lr_beta_2_8_26_1_1.F OFFSET_ccsdt_lr_beta_2_8_26_1_1.F ccsdt_lr_beta_2_8_26_2.F ccsdt_lr_beta_2_8_26_2_1.F OFFSET_ccsdt_lr_beta_2_8_26_2_1.F ccsdt_lr_beta_2_8_27.F ccsdt_lr_beta_2_8_27_1.F OFFSET_ccsdt_lr_beta_2_8_27_1.F ccsdt_lr_beta_2_8_27_1_1.F OFFSET_ccsdt_lr_beta_2_8_27_1_1.F ccsdt_lr_beta_2_8_27_2.F ccsdt_lr_beta_2_8_27_2_1.F OFFSET_ccsdt_lr_beta_2_8_27_2_1.F ccsdt_lr_beta_2_8_28.F ccsdt_lr_beta_2_8_28_1.F OFFSET_ccsdt_lr_beta_2_8_28_1.F ccsdt_lr_beta_2_8_28_1_1.F OFFSET_ccsdt_lr_beta_2_8_28_1_1.F ccsdt_lr_beta_2_8_28_1_2.F ccsdt_lr_beta_2_8_28_1_3.F ccsdt_lr_beta_2_8_28_1_3_1.F OFFSET_ccsdt_lr_beta_2_8_28_1_3_1.F ccsdt_lr_beta_2_8_28_1_3_2.F ccsdt_lr_beta_2_8_28_1_4.F ccsdt_lr_beta_2_8_28_1_4_1.F OFFSET_ccsdt_lr_beta_2_8_28_1_4_1.F ccsdt_lr_beta_2_8_28_1_4_2.F ccsdt_lr_beta_2_8_28_2.F ccsdt_lr_beta_2_8_28_2_1.F OFFSET_ccsdt_lr_beta_2_8_28_2_1.F ccsdt_lr_beta_2_8_28_3.F ccsdt_lr_beta_2_8_28_3_1.F OFFSET_ccsdt_lr_beta_2_8_28_3_1.F ccsdt_lr_beta_2_8_28_4.F ccsdt_lr_beta_2_8_28_4_1.F OFFSET_ccsdt_lr_beta_2_8_28_4_1.F ccsdt_lr_beta_2_8_28_4_2.F ccsdt_lr_beta_2_8_28_4_3.F ccsdt_lr_beta_2_8_28_4_3_1.F OFFSET_ccsdt_lr_beta_2_8_28_4_3_1.F ccsdt_lr_beta_2_8_28_4_3_2.F ccsdt_lr_beta_2_8_28_5.F ccsdt_lr_beta_2_8_28_5_1.F OFFSET_ccsdt_lr_beta_2_8_28_5_1.F ccsdt_lr_beta_2_8_28_6.F ccsdt_lr_beta_2_8_28_6_1.F OFFSET_ccsdt_lr_beta_2_8_28_6_1.F ccsdt_lr_beta_2_8_28_7.F ccsdt_lr_beta_2_8_28_7_1.F OFFSET_ccsdt_lr_beta_2_8_28_7_1.F ccsdt_lr_beta_2_8_28_7_1_1.F OFFSET_ccsdt_lr_beta_2_8_28_7_1_1.F ccsdt_lr_beta_2_8_28_7_2.F ccsdt_lr_beta_2_8_28_7_2_1.F OFFSET_ccsdt_lr_beta_2_8_28_7_2_1.F ccsdt_lr_beta_2_8_28_8.F ccsdt_lr_beta_2_8_28_8_1.F OFFSET_ccsdt_lr_beta_2_8_28_8_1.F ccsdt_lr_beta_2_8_28_8_1_1.F OFFSET_ccsdt_lr_beta_2_8_28_8_1_1.F ccsdt_lr_beta_2_8_29.F ccsdt_lr_beta_2_8_29_1.F OFFSET_ccsdt_lr_beta_2_8_29_1.F ccsdt_lr_beta_2_8_29_1_1.F OFFSET_ccsdt_lr_beta_2_8_29_1_1.F ccsdt_lr_beta_2_8_29_2.F ccsdt_lr_beta_2_8_29_2_1.F OFFSET_ccsdt_lr_beta_2_8_29_2_1.F ccsdt_lr_beta_2_8_30.F ccsdt_lr_beta_2_8_30_1.F OFFSET_ccsdt_lr_beta_2_8_30_1.F ccsdt_lr_beta_2_8_30_1_1.F OFFSET_ccsdt_lr_beta_2_8_30_1_1.F ccsdt_lr_beta_2_8_30_2.F ccsdt_lr_beta_2_8_30_2_1.F OFFSET_ccsdt_lr_beta_2_8_30_2_1.F ccsdt_lr_beta_2_8_31.F ccsdt_lr_beta_2_8_31_1.F OFFSET_ccsdt_lr_beta_2_8_31_1.F ccsdt_lr_beta_2_8_31_1_1.F OFFSET_ccsdt_lr_beta_2_8_31_1_1.F ccsdt_lr_beta_2_8_31_2.F ccsdt_lr_beta_2_8_31_2_1.F OFFSET_ccsdt_lr_beta_2_8_31_2_1.F ccsdt_lr_beta_2_8_31_3.F ccsdt_lr_beta_2_8_31_3_1.F OFFSET_ccsdt_lr_beta_2_8_31_3_1.F ccsdt_lr_beta_2_8_31_4.F ccsdt_lr_beta_2_8_31_4_1.F OFFSET_ccsdt_lr_beta_2_8_31_4_1.F ccsdt_lr_beta_2_8_32.F ccsdt_lr_beta_2_8_32_1.F OFFSET_ccsdt_lr_beta_2_8_32_1.F ccsdt_lr_beta_2_8_32_1_1.F OFFSET_ccsdt_lr_beta_2_8_32_1_1.F ccsdt_lr_beta_2_8_32_2.F ccsdt_lr_beta_2_8_32_2_1.F OFFSET_ccsdt_lr_beta_2_8_32_2_1.F ccsdt_lr_beta_2_8_33.F ccsdt_lr_beta_2_8_33_1.F OFFSET_ccsdt_lr_beta_2_8_33_1.F ccsdt_lr_beta_2_8_33_1_1.F OFFSET_ccsdt_lr_beta_2_8_33_1_1.F ccsdt_lr_beta_2_8_33_2.F ccsdt_lr_beta_2_8_33_2_1.F OFFSET_ccsdt_lr_beta_2_8_33_2_1.F ccsdt_lr_beta_2_8_34.F ccsdt_lr_beta_2_8_34_1.F OFFSET_ccsdt_lr_beta_2_8_34_1.F ccsdt_lr_beta_2_8_34_1_1.F OFFSET_ccsdt_lr_beta_2_8_34_1_1.F ccsdt_lr_beta_2_8_34_2.F ccsdt_lr_beta_2_8_34_2_1.F OFFSET_ccsdt_lr_beta_2_8_34_2_1.F ccsdt_lr_beta_2_9.F ccsdt_lr_beta_2_9_1.F OFFSET_ccsdt_lr_beta_2_9_1.F ccsdt_lr_beta_2_9_1_1.F OFFSET_ccsdt_lr_beta_2_9_1_1.F ccsdt_lr_beta_2_9_2.F ccsdt_lr_beta_2_9_2_1.F OFFSET_ccsdt_lr_beta_2_9_2_1.F ccsdt_lr_beta_2_9_3.F ccsdt_lr_beta_2_9_3_1.F OFFSET_ccsdt_lr_beta_2_9_3_1.F ccsdt_lr_beta_2_9_4.F ccsdt_lr_beta_2_9_4_1.F OFFSET_ccsdt_lr_beta_2_9_4_1.F ccsdt_lr_beta_2_9_5.F ccsdt_lr_beta_2_9_5_1.F OFFSET_ccsdt_lr_beta_2_9_5_1.F ccsdt_lr_beta_2_9_6.F ccsdt_lr_beta_2_9_6_1.F OFFSET_ccsdt_lr_beta_2_9_6_1.F ccsdt_lr_beta_2_9_7.F ccsdt_lr_beta_2_9_7_1.F OFFSET_ccsdt_lr_beta_2_9_7_1.F ccsdt_lr_beta_2_9_8.F ccsdt_lr_beta_2_9_8_1.F OFFSET_ccsdt_lr_beta_2_9_8_1.F ccsdt_lr_beta_2_9_9.F ccsdt_lr_beta_2_9_9_1.F OFFSET_ccsdt_lr_beta_2_9_9_1.F ccsdt_lr_beta_2_9_10.F ccsdt_lr_beta_2_9_10_1.F OFFSET_ccsdt_lr_beta_2_9_10_1.F ccsdt_lr_beta_2_9_11.F ccsdt_lr_beta_2_9_11_1.F OFFSET_ccsdt_lr_beta_2_9_11_1.F ccsdt_lr_beta_2_9_11_1_1.F OFFSET_ccsdt_lr_beta_2_9_11_1_1.F ccsdt_lr_beta_2_9_11_2.F ccsdt_lr_beta_2_9_11_2_1.F OFFSET_ccsdt_lr_beta_2_9_11_2_1.F ccsdt_lr_beta_2_9_11_3.F ccsdt_lr_beta_2_9_11_3_1.F OFFSET_ccsdt_lr_beta_2_9_11_3_1.F ccsdt_lr_beta_2_9_11_4.F ccsdt_lr_beta_2_9_11_4_1.F OFFSET_ccsdt_lr_beta_2_9_11_4_1.F ccsdt_lr_beta_2_9_12.F ccsdt_lr_beta_2_9_12_1.F OFFSET_ccsdt_lr_beta_2_9_12_1.F ccsdt_lr_beta_2_9_12_1_1.F OFFSET_ccsdt_lr_beta_2_9_12_1_1.F ccsdt_lr_beta_2_9_12_2.F ccsdt_lr_beta_2_9_12_2_1.F OFFSET_ccsdt_lr_beta_2_9_12_2_1.F ccsdt_lr_beta_2_9_12_3.F ccsdt_lr_beta_2_9_12_3_1.F OFFSET_ccsdt_lr_beta_2_9_12_3_1.F ccsdt_lr_beta_2_9_12_4.F ccsdt_lr_beta_2_9_12_4_1.F OFFSET_ccsdt_lr_beta_2_9_12_4_1.F ccsdt_lr_beta_2_9_13.F ccsdt_lr_beta_2_9_13_1.F OFFSET_ccsdt_lr_beta_2_9_13_1.F ccsdt_lr_beta_2_9_13_1_1.F OFFSET_ccsdt_lr_beta_2_9_13_1_1.F ccsdt_lr_beta_2_9_13_2.F ccsdt_lr_beta_2_9_13_2_1.F OFFSET_ccsdt_lr_beta_2_9_13_2_1.F ccsdt_lr_beta_2_9_13_3.F ccsdt_lr_beta_2_9_13_3_1.F OFFSET_ccsdt_lr_beta_2_9_13_3_1.F ccsdt_lr_beta_2_9_13_4.F ccsdt_lr_beta_2_9_13_4_1.F OFFSET_ccsdt_lr_beta_2_9_13_4_1.F ccsdt_lr_beta_3.F ccsdt_lr_beta_3_1.F ccsdt_lr_beta_3_1_1.F OFFSET_ccsdt_lr_beta_3_1_1.F ccsdt_lr_beta_3_1_1_1.F OFFSET_ccsdt_lr_beta_3_1_1_1.F ccsdt_lr_beta_3_1_1_2.F ccsdt_lr_beta_3_1_1_3.F ccsdt_lr_beta_3_1_2.F ccsdt_lr_beta_3_1_2_1.F OFFSET_ccsdt_lr_beta_3_1_2_1.F ccsdt_lr_beta_3_1_2_2.F ccsdt_lr_beta_3_1_2_3.F ccsdt_lr_beta_3_1_3.F ccsdt_lr_beta_3_1_3_1.F OFFSET_ccsdt_lr_beta_3_1_3_1.F ccsdt_lr_beta_3_1_3_2.F ccsdt_lr_beta_3_1_4.F ccsdt_lr_beta_3_1_4_1.F OFFSET_ccsdt_lr_beta_3_1_4_1.F ccsdt_lr_beta_3_1_5.F ccsdt_lr_beta_3_1_5_1.F OFFSET_ccsdt_lr_beta_3_1_5_1.F ccsdt_lr_beta_3_1_5_2.F ccsdt_lr_beta_3_1_6.F ccsdt_lr_beta_3_1_6_1.F OFFSET_ccsdt_lr_beta_3_1_6_1.F ccsdt_lr_beta_4.F ccsdt_lr_beta_4_1.F ccsdt_lr_beta_4_1_1.F OFFSET_ccsdt_lr_beta_4_1_1.F ccsdt_lr_beta_4_1_1_1.F OFFSET_ccsdt_lr_beta_4_1_1_1.F ccsdt_lr_beta_4_1_1_1_1.F OFFSET_ccsdt_lr_beta_4_1_1_1_1.F ccsdt_lr_beta_4_1_1_2.F ccsdt_lr_beta_4_1_1_2_1.F OFFSET_ccsdt_lr_beta_4_1_1_2_1.F ccsdt_lr_beta_4_1_2.F ccsdt_lr_beta_4_1_2_1.F OFFSET_ccsdt_lr_beta_4_1_2_1.F ccsdt_lr_beta_4_1_2_1_1.F OFFSET_ccsdt_lr_beta_4_1_2_1_1.F ccsdt_lr_beta_4_1_2_2.F ccsdt_lr_beta_4_1_2_2_1.F OFFSET_ccsdt_lr_beta_4_1_2_2_1.F ccsdt_lr_beta_4_1_3.F ccsdt_lr_beta_4_1_3_1.F OFFSET_ccsdt_lr_beta_4_1_3_1.F ccsdt_lr_beta_4_1_3_1_1.F OFFSET_ccsdt_lr_beta_4_1_3_1_1.F ccsdt_lr_beta_4_1_3_2.F ccsdt_lr_beta_4_1_3_2_1.F OFFSET_ccsdt_lr_beta_4_1_3_2_1.F ccsdt_lr_beta_4_2.F ccsdt_lr_beta_4_2_1.F OFFSET_ccsdt_lr_beta_4_2_1.F ccsdt_lr_beta_4_2_1_1.F OFFSET_ccsdt_lr_beta_4_2_1_1.F ccsdt_lr_beta_4_2_1_1_1.F OFFSET_ccsdt_lr_beta_4_2_1_1_1.F ccsdt_lr_beta_4_2_1_1_2.F ccsdt_lr_beta_4_2_1_2.F ccsdt_lr_beta_4_2_1_2_1.F OFFSET_ccsdt_lr_beta_4_2_1_2_1.F ccsdt_lr_beta_4_2_1_2_2.F ccsdt_lr_beta_4_2_2.F ccsdt_lr_beta_4_2_2_1.F OFFSET_ccsdt_lr_beta_4_2_2_1.F ccsdt_lr_beta_4_2_2_1_1.F OFFSET_ccsdt_lr_beta_4_2_2_1_1.F ccsdt_lr_beta_4_2_2_2.F ccsdt_lr_beta_4_2_2_2_1.F OFFSET_ccsdt_lr_beta_4_2_2_2_1.F ccsdt_lr_beta_4_2_3.F ccsdt_lr_beta_4_2_3_1.F OFFSET_ccsdt_lr_beta_4_2_3_1.F ccsdt_lr_beta_4_2_3_1_1.F OFFSET_ccsdt_lr_beta_4_2_3_1_1.F ccsdt_lr_beta_4_2_3_1_2.F ccsdt_lr_beta_4_2_3_2.F ccsdt_lr_beta_4_2_3_2_1.F OFFSET_ccsdt_lr_beta_4_2_3_2_1.F ccsdt_lr_beta_4_2_3_2_2.F ccsdt_lr_beta_4_2_4.F ccsdt_lr_beta_4_2_4_1.F OFFSET_ccsdt_lr_beta_4_2_4_1.F ccsdt_lr_beta_4_2_4_1_1.F OFFSET_ccsdt_lr_beta_4_2_4_1_1.F ccsdt_lr_beta_4_2_4_2.F ccsdt_lr_beta_4_2_4_2_1.F OFFSET_ccsdt_lr_beta_4_2_4_2_1.F ccsdt_lr_beta_4_2_5.F ccsdt_lr_beta_4_2_5_1.F OFFSET_ccsdt_lr_beta_4_2_5_1.F ccsdt_lr_beta_4_2_5_1_1.F OFFSET_ccsdt_lr_beta_4_2_5_1_1.F ccsdt_lr_beta_4_2_5_1_2.F ccsdt_lr_beta_4_2_5_2.F ccsdt_lr_beta_4_2_5_2_1.F OFFSET_ccsdt_lr_beta_4_2_5_2_1.F ccsdt_lr_beta_4_2_5_2_2.F ccsdt_lr_beta_4_2_6.F ccsdt_lr_beta_4_2_6_1.F OFFSET_ccsdt_lr_beta_4_2_6_1.F ccsdt_lr_beta_4_2_6_1_1.F OFFSET_ccsdt_lr_beta_4_2_6_1_1.F ccsdt_lr_beta_4_2_6_2.F ccsdt_lr_beta_4_2_6_2_1.F OFFSET_ccsdt_lr_beta_4_2_6_2_1.F ccsdt_lr_beta_4_3.F ccsdt_lr_beta_4_3_1.F OFFSET_ccsdt_lr_beta_4_3_1.F ccsdt_lr_beta_4_3_1_1.F OFFSET_ccsdt_lr_beta_4_3_1_1.F ccsdt_lr_beta_4_3_1_1_1.F OFFSET_ccsdt_lr_beta_4_3_1_1_1.F ccsdt_lr_beta_4_3_1_2.F ccsdt_lr_beta_4_3_1_2_1.F OFFSET_ccsdt_lr_beta_4_3_1_2_1.F ccsdt_lr_beta_4_3_1_3.F ccsdt_lr_beta_4_3_1_3_1.F OFFSET_ccsdt_lr_beta_4_3_1_3_1.F ccsdt_lr_beta_4_3_1_4.F ccsdt_lr_beta_4_3_1_4_1.F OFFSET_ccsdt_lr_beta_4_3_1_4_1.F ccsdt_lr_beta_4_3_1_5.F ccsdt_lr_beta_4_3_1_5_1.F OFFSET_ccsdt_lr_beta_4_3_1_5_1.F ccsdt_lr_beta_4_3_1_6.F ccsdt_lr_beta_4_3_1_6_1.F OFFSET_ccsdt_lr_beta_4_3_1_6_1.F ccsdt_lr_beta_4_3_2.F ccsdt_lr_beta_4_3_2_1.F OFFSET_ccsdt_lr_beta_4_3_2_1.F ccsdt_lr_beta_4_3_2_1_1.F OFFSET_ccsdt_lr_beta_4_3_2_1_1.F ccsdt_lr_beta_4_3_2_2.F ccsdt_lr_beta_4_3_2_2_1.F OFFSET_ccsdt_lr_beta_4_3_2_2_1.F ccsdt_lr_beta_4_3_3.F ccsdt_lr_beta_4_3_3_1.F OFFSET_ccsdt_lr_beta_4_3_3_1.F ccsdt_lr_beta_4_3_3_1_1.F OFFSET_ccsdt_lr_beta_4_3_3_1_1.F ccsdt_lr_beta_4_3_3_2.F ccsdt_lr_beta_4_3_3_2_1.F OFFSET_ccsdt_lr_beta_4_3_3_2_1.F ccsdt_lr_beta_4_3_3_3.F ccsdt_lr_beta_4_3_3_3_1.F OFFSET_ccsdt_lr_beta_4_3_3_3_1.F ccsdt_lr_beta_4_3_3_4.F ccsdt_lr_beta_4_3_3_4_1.F OFFSET_ccsdt_lr_beta_4_3_3_4_1.F ccsdt_lr_beta_4_3_3_5.F ccsdt_lr_beta_4_3_3_5_1.F OFFSET_ccsdt_lr_beta_4_3_3_5_1.F ccsdt_lr_beta_4_3_3_6.F ccsdt_lr_beta_4_3_3_6_1.F OFFSET_ccsdt_lr_beta_4_3_3_6_1.F ccsdt_lr_beta_4_3_4.F ccsdt_lr_beta_4_3_4_1.F OFFSET_ccsdt_lr_beta_4_3_4_1.F ccsdt_lr_beta_4_3_4_1_1.F OFFSET_ccsdt_lr_beta_4_3_4_1_1.F ccsdt_lr_beta_4_3_4_2.F ccsdt_lr_beta_4_3_4_2_1.F OFFSET_ccsdt_lr_beta_4_3_4_2_1.F ccsdt_lr_beta_4_3_4_3.F ccsdt_lr_beta_4_3_4_3_1.F OFFSET_ccsdt_lr_beta_4_3_4_3_1.F ccsdt_lr_beta_4_3_4_4.F ccsdt_lr_beta_4_3_4_4_1.F OFFSET_ccsdt_lr_beta_4_3_4_4_1.F ccsdt_lr_beta_4_3_4_5.F ccsdt_lr_beta_4_3_4_5_1.F OFFSET_ccsdt_lr_beta_4_3_4_5_1.F ccsdt_lr_beta_4_3_4_6.F ccsdt_lr_beta_4_3_4_6_1.F OFFSET_ccsdt_lr_beta_4_3_4_6_1.F ccsdt_lr_beta_4_3_5.F ccsdt_lr_beta_4_3_5_1.F OFFSET_ccsdt_lr_beta_4_3_5_1.F ccsdt_lr_beta_4_3_5_1_1.F OFFSET_ccsdt_lr_beta_4_3_5_1_1.F ccsdt_lr_beta_4_3_5_2.F ccsdt_lr_beta_4_3_5_2_1.F OFFSET_ccsdt_lr_beta_4_3_5_2_1.F ccsdt_lr_beta_4_3_6.F ccsdt_lr_beta_4_3_6_1.F OFFSET_ccsdt_lr_beta_4_3_6_1.F ccsdt_lr_beta_4_3_6_1_1.F OFFSET_ccsdt_lr_beta_4_3_6_1_1.F ccsdt_lr_beta_4_3_6_2.F ccsdt_lr_beta_4_3_6_2_1.F OFFSET_ccsdt_lr_beta_4_3_6_2_1.F ccsdt_lr_beta_4_4.F ccsdt_lr_beta_4_4_1.F OFFSET_ccsdt_lr_beta_4_4_1.F ccsdt_lr_beta_4_4_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_1.F ccsdt_lr_beta_4_4_1_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_1_1.F ccsdt_lr_beta_4_4_1_1_2.F ccsdt_lr_beta_4_4_1_1_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_1_2_1.F ccsdt_lr_beta_4_4_1_1_2_2.F ccsdt_lr_beta_4_4_1_1_3.F ccsdt_lr_beta_4_4_1_1_3_1.F OFFSET_ccsdt_lr_beta_4_4_1_1_3_1.F ccsdt_lr_beta_4_4_1_1_3_2.F ccsdt_lr_beta_4_4_1_1_4.F ccsdt_lr_beta_4_4_1_1_4_1.F OFFSET_ccsdt_lr_beta_4_4_1_1_4_1.F ccsdt_lr_beta_4_4_1_1_4_2.F ccsdt_lr_beta_4_4_1_2.F ccsdt_lr_beta_4_4_1_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_2_1.F ccsdt_lr_beta_4_4_1_3.F ccsdt_lr_beta_4_4_1_3_1.F OFFSET_ccsdt_lr_beta_4_4_1_3_1.F ccsdt_lr_beta_4_4_1_4.F ccsdt_lr_beta_4_4_1_4_1.F OFFSET_ccsdt_lr_beta_4_4_1_4_1.F ccsdt_lr_beta_4_4_1_4_2.F ccsdt_lr_beta_4_4_1_4_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_4_2_1.F ccsdt_lr_beta_4_4_1_4_2_2.F ccsdt_lr_beta_4_4_1_4_3.F ccsdt_lr_beta_4_4_1_4_3_1.F OFFSET_ccsdt_lr_beta_4_4_1_4_3_1.F ccsdt_lr_beta_4_4_1_4_3_2.F ccsdt_lr_beta_4_4_1_5.F ccsdt_lr_beta_4_4_1_5_1.F OFFSET_ccsdt_lr_beta_4_4_1_5_1.F ccsdt_lr_beta_4_4_1_6.F ccsdt_lr_beta_4_4_1_6_1.F OFFSET_ccsdt_lr_beta_4_4_1_6_1.F ccsdt_lr_beta_4_4_1_7.F ccsdt_lr_beta_4_4_1_7_1.F OFFSET_ccsdt_lr_beta_4_4_1_7_1.F ccsdt_lr_beta_4_4_1_7_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_7_1_1.F ccsdt_lr_beta_4_4_1_7_2.F ccsdt_lr_beta_4_4_1_7_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_7_2_1.F ccsdt_lr_beta_4_4_1_8.F ccsdt_lr_beta_4_4_1_8_1.F OFFSET_ccsdt_lr_beta_4_4_1_8_1.F ccsdt_lr_beta_4_4_1_8_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_8_1_1.F ccsdt_lr_beta_4_4_1_8_2.F ccsdt_lr_beta_4_4_1_8_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_8_2_1.F ccsdt_lr_beta_4_4_1_9.F ccsdt_lr_beta_4_4_1_9_1.F OFFSET_ccsdt_lr_beta_4_4_1_9_1.F ccsdt_lr_beta_4_4_1_9_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_9_1_1.F ccsdt_lr_beta_4_4_1_9_1_2.F ccsdt_lr_beta_4_4_1_9_2.F ccsdt_lr_beta_4_4_1_9_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_9_2_1.F ccsdt_lr_beta_4_4_1_9_2_2.F ccsdt_lr_beta_4_4_1_10.F ccsdt_lr_beta_4_4_1_10_1.F OFFSET_ccsdt_lr_beta_4_4_1_10_1.F ccsdt_lr_beta_4_4_1_10_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_10_1_1.F ccsdt_lr_beta_4_4_1_10_2.F ccsdt_lr_beta_4_4_1_10_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_10_2_1.F ccsdt_lr_beta_4_4_2.F ccsdt_lr_beta_4_4_2_1.F OFFSET_ccsdt_lr_beta_4_4_2_1.F ccsdt_lr_beta_4_4_2_1_1.F OFFSET_ccsdt_lr_beta_4_4_2_1_1.F ccsdt_lr_beta_4_4_2_2.F ccsdt_lr_beta_4_4_2_2_1.F OFFSET_ccsdt_lr_beta_4_4_2_2_1.F ccsdt_lr_beta_4_4_3.F ccsdt_lr_beta_4_4_3_1.F OFFSET_ccsdt_lr_beta_4_4_3_1.F ccsdt_lr_beta_4_4_3_1_1.F OFFSET_ccsdt_lr_beta_4_4_3_1_1.F ccsdt_lr_beta_4_4_3_2.F ccsdt_lr_beta_4_4_3_2_1.F OFFSET_ccsdt_lr_beta_4_4_3_2_1.F ccsdt_lr_beta_4_4_4.F ccsdt_lr_beta_4_4_4_1.F OFFSET_ccsdt_lr_beta_4_4_4_1.F ccsdt_lr_beta_4_4_4_1_1.F OFFSET_ccsdt_lr_beta_4_4_4_1_1.F ccsdt_lr_beta_4_4_4_2.F ccsdt_lr_beta_4_4_4_2_1.F OFFSET_ccsdt_lr_beta_4_4_4_2_1.F ccsdt_lr_beta_4_4_5.F ccsdt_lr_beta_4_4_5_1.F OFFSET_ccsdt_lr_beta_4_4_5_1.F ccsdt_lr_beta_4_4_5_1_1.F OFFSET_ccsdt_lr_beta_4_4_5_1_1.F ccsdt_lr_beta_4_4_5_2.F ccsdt_lr_beta_4_4_5_2_1.F OFFSET_ccsdt_lr_beta_4_4_5_2_1.F ccsdt_lr_beta_4_4_5_3.F ccsdt_lr_beta_4_4_5_3_1.F OFFSET_ccsdt_lr_beta_4_4_5_3_1.F ccsdt_lr_beta_4_4_5_4.F ccsdt_lr_beta_4_4_5_4_1.F OFFSET_ccsdt_lr_beta_4_4_5_4_1.F ccsdt_lr_beta_4_4_6.F ccsdt_lr_beta_4_4_6_1.F OFFSET_ccsdt_lr_beta_4_4_6_1.F ccsdt_lr_beta_4_4_6_1_1.F OFFSET_ccsdt_lr_beta_4_4_6_1_1.F ccsdt_lr_beta_4_4_6_2.F ccsdt_lr_beta_4_4_6_2_1.F OFFSET_ccsdt_lr_beta_4_4_6_2_1.F ccsdt_lr_beta_4_4_7.F ccsdt_lr_beta_4_4_7_1.F OFFSET_ccsdt_lr_beta_4_4_7_1.F ccsdt_lr_beta_4_4_7_1_1.F OFFSET_ccsdt_lr_beta_4_4_7_1_1.F ccsdt_lr_beta_4_4_7_2.F ccsdt_lr_beta_4_4_7_2_1.F OFFSET_ccsdt_lr_beta_4_4_7_2_1.F ccsdt_lr_beta_4_4_8.F ccsdt_lr_beta_4_4_8_1.F OFFSET_ccsdt_lr_beta_4_4_8_1.F ccsdt_lr_beta_4_4_8_1_1.F OFFSET_ccsdt_lr_beta_4_4_8_1_1.F ccsdt_lr_beta_4_4_8_2.F ccsdt_lr_beta_4_4_8_2_1.F OFFSET_ccsdt_lr_beta_4_4_8_2_1.F ccsdt_lr_beta_4_4_9.F ccsdt_lr_beta_4_4_9_1.F OFFSET_ccsdt_lr_beta_4_4_9_1.F ccsdt_lr_beta_4_4_9_1_1.F OFFSET_ccsdt_lr_beta_4_4_9_1_1.F ccsdt_lr_beta_4_4_9_1_2.F ccsdt_lr_beta_4_4_9_1_3.F ccsdt_lr_beta_4_4_9_1_3_1.F OFFSET_ccsdt_lr_beta_4_4_9_1_3_1.F ccsdt_lr_beta_4_4_9_1_3_2.F ccsdt_lr_beta_4_4_9_1_4.F ccsdt_lr_beta_4_4_9_1_4_1.F OFFSET_ccsdt_lr_beta_4_4_9_1_4_1.F ccsdt_lr_beta_4_4_9_1_4_2.F ccsdt_lr_beta_4_4_9_2.F ccsdt_lr_beta_4_4_9_2_1.F OFFSET_ccsdt_lr_beta_4_4_9_2_1.F ccsdt_lr_beta_4_4_9_3.F ccsdt_lr_beta_4_4_9_3_1.F OFFSET_ccsdt_lr_beta_4_4_9_3_1.F ccsdt_lr_beta_4_4_9_4.F ccsdt_lr_beta_4_4_9_4_1.F OFFSET_ccsdt_lr_beta_4_4_9_4_1.F ccsdt_lr_beta_4_4_9_4_2.F ccsdt_lr_beta_4_4_9_4_3.F ccsdt_lr_beta_4_4_9_4_3_1.F OFFSET_ccsdt_lr_beta_4_4_9_4_3_1.F ccsdt_lr_beta_4_4_9_4_3_2.F ccsdt_lr_beta_4_4_9_4_4.F ccsdt_lr_beta_4_4_9_4_4_1.F OFFSET_ccsdt_lr_beta_4_4_9_4_4_1.F ccsdt_lr_beta_4_4_9_4_4_2.F ccsdt_lr_beta_4_4_9_5.F ccsdt_lr_beta_4_4_9_5_1.F OFFSET_ccsdt_lr_beta_4_4_9_5_1.F ccsdt_lr_beta_4_4_9_6.F ccsdt_lr_beta_4_4_9_6_1.F OFFSET_ccsdt_lr_beta_4_4_9_6_1.F ccsdt_lr_beta_4_4_9_7.F ccsdt_lr_beta_4_4_9_7_1.F OFFSET_ccsdt_lr_beta_4_4_9_7_1.F ccsdt_lr_beta_4_4_9_7_1_1.F OFFSET_ccsdt_lr_beta_4_4_9_7_1_1.F ccsdt_lr_beta_4_4_9_7_2.F ccsdt_lr_beta_4_4_9_7_2_1.F OFFSET_ccsdt_lr_beta_4_4_9_7_2_1.F ccsdt_lr_beta_4_4_9_8.F ccsdt_lr_beta_4_4_9_8_1.F OFFSET_ccsdt_lr_beta_4_4_9_8_1.F ccsdt_lr_beta_4_4_9_8_1_1.F OFFSET_ccsdt_lr_beta_4_4_9_8_1_1.F ccsdt_lr_beta_4_4_9_8_1_2.F ccsdt_lr_beta_4_4_9_8_2.F ccsdt_lr_beta_4_4_9_8_2_1.F OFFSET_ccsdt_lr_beta_4_4_9_8_2_1.F ccsdt_lr_beta_4_4_9_8_2_2.F ccsdt_lr_beta_4_4_9_9.F ccsdt_lr_beta_4_4_9_9_1.F OFFSET_ccsdt_lr_beta_4_4_9_9_1.F ccsdt_lr_beta_4_4_9_9_1_1.F OFFSET_ccsdt_lr_beta_4_4_9_9_1_1.F ccsdt_lr_beta_4_4_9_9_2.F ccsdt_lr_beta_4_4_9_9_2_1.F OFFSET_ccsdt_lr_beta_4_4_9_9_2_1.F ccsdt_lr_beta_4_4_9_10.F ccsdt_lr_beta_4_4_9_10_1.F OFFSET_ccsdt_lr_beta_4_4_9_10_1.F ccsdt_lr_beta_4_4_9_10_1_1.F OFFSET_ccsdt_lr_beta_4_4_9_10_1_1.F ccsdt_lr_beta_4_4_9_10_2.F ccsdt_lr_beta_4_4_9_10_2_1.F OFFSET_ccsdt_lr_beta_4_4_9_10_2_1.F ccsdt_lr_beta_4_4_10.F ccsdt_lr_beta_4_4_10_1.F OFFSET_ccsdt_lr_beta_4_4_10_1.F ccsdt_lr_beta_4_4_10_1_1.F OFFSET_ccsdt_lr_beta_4_4_10_1_1.F ccsdt_lr_beta_4_4_10_2.F ccsdt_lr_beta_4_4_10_2_1.F OFFSET_ccsdt_lr_beta_4_4_10_2_1.F ccsdt_lr_beta_4_4_11.F ccsdt_lr_beta_4_4_11_1.F OFFSET_ccsdt_lr_beta_4_4_11_1.F ccsdt_lr_beta_4_4_11_1_1.F OFFSET_ccsdt_lr_beta_4_4_11_1_1.F ccsdt_lr_beta_4_4_11_2.F ccsdt_lr_beta_4_4_11_2_1.F OFFSET_ccsdt_lr_beta_4_4_11_2_1.F ccsdt_lr_beta_4_4_12.F ccsdt_lr_beta_4_4_12_1.F OFFSET_ccsdt_lr_beta_4_4_12_1.F ccsdt_lr_beta_4_4_12_1_1.F OFFSET_ccsdt_lr_beta_4_4_12_1_1.F ccsdt_lr_beta_4_4_12_2.F ccsdt_lr_beta_4_4_12_2_1.F OFFSET_ccsdt_lr_beta_4_4_12_2_1.F ccsdt_lr_beta_4_4_13.F ccsdt_lr_beta_4_4_13_1.F OFFSET_ccsdt_lr_beta_4_4_13_1.F ccsdt_lr_beta_4_4_13_1_1.F OFFSET_ccsdt_lr_beta_4_4_13_1_1.F ccsdt_lr_beta_4_4_13_2.F ccsdt_lr_beta_4_4_13_2_1.F OFFSET_ccsdt_lr_beta_4_4_13_2_1.F ccsdt_lr_beta_4_4_13_3.F ccsdt_lr_beta_4_4_13_3_1.F OFFSET_ccsdt_lr_beta_4_4_13_3_1.F ccsdt_lr_beta_4_4_13_4.F ccsdt_lr_beta_4_4_13_4_1.F OFFSET_ccsdt_lr_beta_4_4_13_4_1.F ccsdt_lr_beta_4_4_14.F ccsdt_lr_beta_4_4_14_1.F OFFSET_ccsdt_lr_beta_4_4_14_1.F ccsdt_lr_beta_4_4_14_1_1.F OFFSET_ccsdt_lr_beta_4_4_14_1_1.F ccsdt_lr_beta_4_4_14_2.F ccsdt_lr_beta_4_4_14_2_1.F OFFSET_ccsdt_lr_beta_4_4_14_2_1.F ccsdt_lr_beta_4_4_15.F ccsdt_lr_beta_4_4_15_1.F OFFSET_ccsdt_lr_beta_4_4_15_1.F ccsdt_lr_beta_4_4_15_1_1.F OFFSET_ccsdt_lr_beta_4_4_15_1_1.F ccsdt_lr_beta_4_4_15_2.F ccsdt_lr_beta_4_4_15_2_1.F OFFSET_ccsdt_lr_beta_4_4_15_2_1.F ccsdt_lr_beta_4_4_16.F ccsdt_lr_beta_4_4_16_1.F OFFSET_ccsdt_lr_beta_4_4_16_1.F ccsdt_lr_beta_4_4_16_1_1.F OFFSET_ccsdt_lr_beta_4_4_16_1_1.F ccsdt_lr_beta_4_4_16_2.F ccsdt_lr_beta_4_4_16_2_1.F OFFSET_ccsdt_lr_beta_4_4_16_2_1.F ccsdt_lr_beta_4_4_17.F ccsdt_lr_beta_4_4_17_1.F OFFSET_ccsdt_lr_beta_4_4_17_1.F ccsdt_lr_beta_4_4_17_1_1.F OFFSET_ccsdt_lr_beta_4_4_17_1_1.F ccsdt_lr_beta_4_4_17_1_2.F ccsdt_lr_beta_4_4_17_1_3.F ccsdt_lr_beta_4_4_17_1_3_1.F OFFSET_ccsdt_lr_beta_4_4_17_1_3_1.F ccsdt_lr_beta_4_4_17_1_3_2.F ccsdt_lr_beta_4_4_17_1_4.F ccsdt_lr_beta_4_4_17_1_4_1.F OFFSET_ccsdt_lr_beta_4_4_17_1_4_1.F ccsdt_lr_beta_4_4_17_1_4_2.F ccsdt_lr_beta_4_4_17_2.F ccsdt_lr_beta_4_4_17_2_1.F OFFSET_ccsdt_lr_beta_4_4_17_2_1.F ccsdt_lr_beta_4_4_17_3.F ccsdt_lr_beta_4_4_17_3_1.F OFFSET_ccsdt_lr_beta_4_4_17_3_1.F ccsdt_lr_beta_4_4_17_4.F ccsdt_lr_beta_4_4_17_4_1.F OFFSET_ccsdt_lr_beta_4_4_17_4_1.F ccsdt_lr_beta_4_4_17_4_2.F ccsdt_lr_beta_4_4_17_4_3.F ccsdt_lr_beta_4_4_17_4_3_1.F OFFSET_ccsdt_lr_beta_4_4_17_4_3_1.F ccsdt_lr_beta_4_4_17_4_3_2.F ccsdt_lr_beta_4_4_17_4_4.F ccsdt_lr_beta_4_4_17_4_4_1.F OFFSET_ccsdt_lr_beta_4_4_17_4_4_1.F ccsdt_lr_beta_4_4_17_4_4_2.F ccsdt_lr_beta_4_4_17_5.F ccsdt_lr_beta_4_4_17_5_1.F OFFSET_ccsdt_lr_beta_4_4_17_5_1.F ccsdt_lr_beta_4_4_17_6.F ccsdt_lr_beta_4_4_17_6_1.F OFFSET_ccsdt_lr_beta_4_4_17_6_1.F ccsdt_lr_beta_4_4_17_7.F ccsdt_lr_beta_4_4_17_7_1.F OFFSET_ccsdt_lr_beta_4_4_17_7_1.F ccsdt_lr_beta_4_4_17_7_1_1.F OFFSET_ccsdt_lr_beta_4_4_17_7_1_1.F ccsdt_lr_beta_4_4_17_7_2.F ccsdt_lr_beta_4_4_17_7_2_1.F OFFSET_ccsdt_lr_beta_4_4_17_7_2_1.F ccsdt_lr_beta_4_4_17_8.F ccsdt_lr_beta_4_4_17_8_1.F OFFSET_ccsdt_lr_beta_4_4_17_8_1.F ccsdt_lr_beta_4_4_17_8_1_1.F OFFSET_ccsdt_lr_beta_4_4_17_8_1_1.F ccsdt_lr_beta_4_4_17_8_2.F ccsdt_lr_beta_4_4_17_8_2_1.F OFFSET_ccsdt_lr_beta_4_4_17_8_2_1.F ccsdt_lr_beta_4_4_17_9.F ccsdt_lr_beta_4_4_17_9_1.F OFFSET_ccsdt_lr_beta_4_4_17_9_1.F ccsdt_lr_beta_4_4_17_9_1_1.F OFFSET_ccsdt_lr_beta_4_4_17_9_1_1.F ccsdt_lr_beta_4_4_17_9_1_2.F ccsdt_lr_beta_4_4_17_9_2.F ccsdt_lr_beta_4_4_17_9_2_1.F OFFSET_ccsdt_lr_beta_4_4_17_9_2_1.F ccsdt_lr_beta_4_4_17_9_2_2.F ccsdt_lr_beta_4_4_17_10.F ccsdt_lr_beta_4_4_17_10_1.F OFFSET_ccsdt_lr_beta_4_4_17_10_1.F ccsdt_lr_beta_4_4_17_10_1_1.F OFFSET_ccsdt_lr_beta_4_4_17_10_1_1.F ccsdt_lr_beta_4_4_17_10_2.F ccsdt_lr_beta_4_4_17_10_2_1.F OFFSET_ccsdt_lr_beta_4_4_17_10_2_1.F ccsdt_lr_beta_4_4_18.F ccsdt_lr_beta_4_4_18_1.F OFFSET_ccsdt_lr_beta_4_4_18_1.F ccsdt_lr_beta_4_4_18_1_1.F OFFSET_ccsdt_lr_beta_4_4_18_1_1.F ccsdt_lr_beta_4_4_18_2.F ccsdt_lr_beta_4_4_18_2_1.F OFFSET_ccsdt_lr_beta_4_4_18_2_1.F ccsdt_lr_beta_4_4_19.F ccsdt_lr_beta_4_4_19_1.F OFFSET_ccsdt_lr_beta_4_4_19_1.F ccsdt_lr_beta_4_4_19_1_1.F OFFSET_ccsdt_lr_beta_4_4_19_1_1.F ccsdt_lr_beta_4_4_19_2.F ccsdt_lr_beta_4_4_19_2_1.F OFFSET_ccsdt_lr_beta_4_4_19_2_1.F ccsdt_lr_beta_4_4_20.F ccsdt_lr_beta_4_4_20_1.F OFFSET_ccsdt_lr_beta_4_4_20_1.F ccsdt_lr_beta_4_4_20_1_1.F OFFSET_ccsdt_lr_beta_4_4_20_1_1.F ccsdt_lr_beta_4_4_20_2.F ccsdt_lr_beta_4_4_20_2_1.F OFFSET_ccsdt_lr_beta_4_4_20_2_1.F ccsdt_lr_beta_4_4_21.F ccsdt_lr_beta_4_4_21_1.F OFFSET_ccsdt_lr_beta_4_4_21_1.F ccsdt_lr_beta_4_4_21_1_1.F OFFSET_ccsdt_lr_beta_4_4_21_1_1.F ccsdt_lr_beta_4_4_21_2.F ccsdt_lr_beta_4_4_21_2_1.F OFFSET_ccsdt_lr_beta_4_4_21_2_1.F ccsdt_lr_beta_4_4_21_3.F ccsdt_lr_beta_4_4_21_3_1.F OFFSET_ccsdt_lr_beta_4_4_21_3_1.F ccsdt_lr_beta_4_4_21_4.F ccsdt_lr_beta_4_4_21_4_1.F OFFSET_ccsdt_lr_beta_4_4_21_4_1.F ccsdt_lr_beta_4_4_22.F ccsdt_lr_beta_4_4_22_1.F OFFSET_ccsdt_lr_beta_4_4_22_1.F ccsdt_lr_beta_4_4_22_1_1.F OFFSET_ccsdt_lr_beta_4_4_22_1_1.F ccsdt_lr_beta_4_4_22_2.F ccsdt_lr_beta_4_4_22_2_1.F OFFSET_ccsdt_lr_beta_4_4_22_2_1.F ccsdt_lr_beta_4_4_23.F ccsdt_lr_beta_4_4_23_1.F OFFSET_ccsdt_lr_beta_4_4_23_1.F ccsdt_lr_beta_4_4_23_1_1.F OFFSET_ccsdt_lr_beta_4_4_23_1_1.F ccsdt_lr_beta_4_4_23_2.F ccsdt_lr_beta_4_4_23_2_1.F OFFSET_ccsdt_lr_beta_4_4_23_2_1.F ccsdt_lr_beta_4_4_24.F ccsdt_lr_beta_4_4_24_1.F OFFSET_ccsdt_lr_beta_4_4_24_1.F ccsdt_lr_beta_4_4_24_1_1.F OFFSET_ccsdt_lr_beta_4_4_24_1_1.F ccsdt_lr_beta_4_4_24_2.F ccsdt_lr_beta_4_4_24_2_1.F OFFSET_ccsdt_lr_beta_4_4_24_2_1.F ccsdt_lr_beta_4_4_25.F ccsdt_lr_beta_4_4_25_1.F OFFSET_ccsdt_lr_beta_4_4_25_1.F ccsdt_lr_beta_4_4_25_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_1_1.F ccsdt_lr_beta_4_4_25_1_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_1_1_1.F ccsdt_lr_beta_4_4_25_1_1_2.F ccsdt_lr_beta_4_4_25_1_2.F ccsdt_lr_beta_4_4_25_1_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_1_2_1.F ccsdt_lr_beta_4_4_25_1_2_2.F ccsdt_lr_beta_4_4_25_2.F ccsdt_lr_beta_4_4_25_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_2_1.F ccsdt_lr_beta_4_4_25_2_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_2_1_1.F ccsdt_lr_beta_4_4_25_2_2.F ccsdt_lr_beta_4_4_25_2_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_2_2_1.F ccsdt_lr_beta_4_4_25_3.F ccsdt_lr_beta_4_4_25_3_1.F OFFSET_ccsdt_lr_beta_4_4_25_3_1.F ccsdt_lr_beta_4_4_25_3_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_3_1_1.F ccsdt_lr_beta_4_4_25_3_1_2.F ccsdt_lr_beta_4_4_25_3_2.F ccsdt_lr_beta_4_4_25_3_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_3_2_1.F ccsdt_lr_beta_4_4_25_3_2_2.F ccsdt_lr_beta_4_4_25_4.F ccsdt_lr_beta_4_4_25_4_1.F OFFSET_ccsdt_lr_beta_4_4_25_4_1.F ccsdt_lr_beta_4_4_25_4_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_4_1_1.F ccsdt_lr_beta_4_4_25_4_2.F ccsdt_lr_beta_4_4_25_4_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_4_2_1.F ccsdt_lr_beta_4_4_25_5.F ccsdt_lr_beta_4_4_25_5_1.F OFFSET_ccsdt_lr_beta_4_4_25_5_1.F ccsdt_lr_beta_4_4_25_5_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_5_1_1.F ccsdt_lr_beta_4_4_25_5_1_2.F ccsdt_lr_beta_4_4_25_5_2.F ccsdt_lr_beta_4_4_25_5_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_5_2_1.F ccsdt_lr_beta_4_4_25_5_2_2.F ccsdt_lr_beta_4_4_25_6.F ccsdt_lr_beta_4_4_25_6_1.F OFFSET_ccsdt_lr_beta_4_4_25_6_1.F ccsdt_lr_beta_4_4_25_6_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_6_1_1.F ccsdt_lr_beta_4_4_25_6_2.F ccsdt_lr_beta_4_4_25_6_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_6_2_1.F ccsdt_lr_beta_4_5.F ccsdt_lr_beta_4_5_1.F OFFSET_ccsdt_lr_beta_4_5_1.F ccsdt_lr_beta_4_5_1_1.F OFFSET_ccsdt_lr_beta_4_5_1_1.F ccsdt_lr_beta_4_5_1_1_1.F OFFSET_ccsdt_lr_beta_4_5_1_1_1.F ccsdt_lr_beta_4_5_1_2.F ccsdt_lr_beta_4_5_1_2_1.F OFFSET_ccsdt_lr_beta_4_5_1_2_1.F ccsdt_lr_beta_4_5_1_3.F ccsdt_lr_beta_4_5_1_3_1.F OFFSET_ccsdt_lr_beta_4_5_1_3_1.F ccsdt_lr_beta_4_5_1_4.F ccsdt_lr_beta_4_5_1_4_1.F OFFSET_ccsdt_lr_beta_4_5_1_4_1.F ccsdt_lr_beta_4_5_2.F ccsdt_lr_beta_4_5_2_1.F OFFSET_ccsdt_lr_beta_4_5_2_1.F ccsdt_lr_beta_4_5_2_1_1.F OFFSET_ccsdt_lr_beta_4_5_2_1_1.F ccsdt_lr_beta_4_5_2_2.F ccsdt_lr_beta_4_5_2_2_1.F OFFSET_ccsdt_lr_beta_4_5_2_2_1.F ccsdt_lr_beta_4_5_2_3.F ccsdt_lr_beta_4_5_2_3_1.F OFFSET_ccsdt_lr_beta_4_5_2_3_1.F ccsdt_lr_beta_4_5_2_4.F ccsdt_lr_beta_4_5_2_4_1.F OFFSET_ccsdt_lr_beta_4_5_2_4_1.F ccsdt_lr_beta_4_5_3.F ccsdt_lr_beta_4_5_3_1.F OFFSET_ccsdt_lr_beta_4_5_3_1.F ccsdt_lr_beta_4_5_3_1_1.F OFFSET_ccsdt_lr_beta_4_5_3_1_1.F ccsdt_lr_beta_4_5_3_2.F ccsdt_lr_beta_4_5_3_2_1.F OFFSET_ccsdt_lr_beta_4_5_3_2_1.F ccsdt_lr_beta_4_5_3_3.F ccsdt_lr_beta_4_5_3_3_1.F OFFSET_ccsdt_lr_beta_4_5_3_3_1.F ccsdt_lr_beta_4_5_3_4.F ccsdt_lr_beta_4_5_3_4_1.F OFFSET_ccsdt_lr_beta_4_5_3_4_1.F converting ccsdt_lr_beta_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_18_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_18_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_7_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_12_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_14_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_14_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_18_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_18_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_20_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_20_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_20_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_21_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_21_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_21_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_23_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_23_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_23_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_24_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_24_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_24_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_24_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_25_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_25_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_25_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_26_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_26_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_26_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_27.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_27_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_27_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_27_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_27_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_27_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_27_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_29.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_29_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_29_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_29_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_29_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_29_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_29_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_29_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_30.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_30_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_30_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_30_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_30_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_30_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_30_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_30_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_31_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_31_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_31_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_31_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_31_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_32.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_32_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_32_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_32_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_32_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_32_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_32_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_32_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_33.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_33_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_33_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_33_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_33_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_33_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_33_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_33_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_34.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_34_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_34_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_34_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_34_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_34_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_34_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_34_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_11_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_11_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_12_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_14_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_14_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_18_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_18_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_19_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_19_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_19_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_20_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_20_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_20_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_21_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_21_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_22_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_22_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_22_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_23_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_23_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_23_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_24_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_24_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_24_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_24_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_3_4_1.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' Making 64_to_32 in ccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_e.F ccsdt_t1a.F ccsdt_t1.F ccsdt_t2a.F ccsdt_t2.F ccsdt_t3_1_2_2_2.F ccsdt_t3_1_2_2.F ccsdt_t3_1_2_3.F ccsdt_t3_1_2.F ccsdt_t3_1_3_2.F ccsdt_t3_1_3.F ccsdt_t3_1_4_2.F ccsdt_t3_1_4.F ccsdt_t3_1_5_2.F ccsdt_t3_1_5.F ccsdt_t3_1_6.F ccsdt_t3_1_7.F ccsdt_t3_1.F ccsdt_t3_2_2.F ccsdt_t3_2_3_2.F ccsdt_t3_2_3.F ccsdt_t3_2_4.F ccsdt_t3_2_5.F ccsdt_t3_2.F ccsdt_t3_3_2_2.F ccsdt_t3_3_2.F ccsdt_t3_3_3.F ccsdt_t3_3_4.F ccsdt_t3_3.F ccsdt_t3_4_2.F ccsdt_t3_4_3.F ccsdt_t3_4.F ccsdt_t3_5_2_2.F ccsdt_t3_5_2.F ccsdt_t3_5_3.F ccsdt_t3_5.F ccsdt_t3_6_2.F ccsdt_t3_6_3.F ccsdt_t3_6.F ccsdt_t3_7.F ccsdt_t3_8_1_2_2.F ccsdt_t3_8_1_2.F ccsdt_t3_8_1_3.F ccsdt_t3_8_1_4.F ccsdt_t3_8_1.F ccsdt_t3_8_2_2.F ccsdt_t3_8_2.F ccsdt_t3_8_3_2.F ccsdt_t3_8_3.F ccsdt_t3_8_4.F ccsdt_t3_8_5_1.F ccsdt_t3_8_5.F ccsdt_t3_8.F ccsdt_t3_9_1.F ccsdt_t3_9.F ccsdt_t3a_1_2_2_2.F ccsdt_t3a_1_2_2.F ccsdt_t3a_1_2_3.F ccsdt_t3a_1_2.F ccsdt_t3a_1_3_2.F ccsdt_t3a_1_3.F ccsdt_t3a_1_4_2.F ccsdt_t3a_1_4.F ccsdt_t3a_1_5_2.F ccsdt_t3a_1_5.F ccsdt_t3a_1_6.F ccsdt_t3a_1_7.F ccsdt_t3a_1.F ccsdt_t3a_2_2.F ccsdt_t3a_2_3_2.F ccsdt_t3a_2_3.F ccsdt_t3a_2_4.F ccsdt_t3a_2_5.F ccsdt_t3a_2.F ccsdt_t3a_3_2_2.F ccsdt_t3a_3_2.F ccsdt_t3a_3_3.F ccsdt_t3a_3_4.F ccsdt_t3a_3.F ccsdt_t3a_4_2.F ccsdt_t3a_4_3.F ccsdt_t3a_4.F ccsdt_t3a_5_2_2.F ccsdt_t3a_5_2.F ccsdt_t3a_5_3.F ccsdt_t3a_5.F ccsdt_t3a_6_2.F ccsdt_t3a_6_3.F ccsdt_t3a_6.F ccsdt_t3a_7.F ccsdt_t3a_8_1_2_2.F ccsdt_t3a_8_1_2.F ccsdt_t3a_8_1_3.F ccsdt_t3a_8_1_4.F ccsdt_t3a_8_1.F ccsdt_t3a_8_2_2.F ccsdt_t3a_8_2.F ccsdt_t3a_8_3_2.F ccsdt_t3a_8_3.F ccsdt_t3a_8_4.F ccsdt_t3a_8_5_1.F ccsdt_t3a_8_5.F ccsdt_t3a_8.F ccsdt_t3a_9_1.F ccsdt_t3a_9.F converting ccsdt_e.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Making 64_to_32 in ccsdt_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_density1.F ccsdt_lambda1_10_1.F ccsdt_lambda1_10_2.F ccsdt_lambda1_10_3.F ccsdt_lambda1_10.F ccsdt_lambda1_11_1.F ccsdt_lambda1_11_2.F ccsdt_lambda1_11_3.F ccsdt_lambda1_11.F ccsdt_lambda1_12_1.F ccsdt_lambda1_12_2.F ccsdt_lambda1_12_3.F ccsdt_lambda1_12.F ccsdt_lambda1_13_1.F ccsdt_lambda1_13_2.F ccsdt_lambda1_13.F ccsdt_lambda1_14_1.F ccsdt_lambda1_14_2.F ccsdt_lambda1_14_3_1.F ccsdt_lambda1_14_3_2.F ccsdt_lambda1_14_3_3_1.F ccsdt_lambda1_14_3_3_2.F ccsdt_lambda1_14_3_3.F ccsdt_lambda1_14_3.F ccsdt_lambda1_14_4_1.F ccsdt_lambda1_14_4.F ccsdt_lambda1_14_5_1.F ccsdt_lambda1_14_5_2.F ccsdt_lambda1_14_5.F ccsdt_lambda1_14_6_1.F ccsdt_lambda1_14_6.F ccsdt_lambda1_14_7_1.F ccsdt_lambda1_14_7.F ccsdt_lambda1_14_8_1.F ccsdt_lambda1_14_8.F ccsdt_lambda1_14_9_1_1.F ccsdt_lambda1_14_9_1.F ccsdt_lambda1_14_9.F ccsdt_lambda1_14.F ccsdt_lambda1_15_1.F ccsdt_lambda1_15_2.F ccsdt_lambda1_15_3_1.F ccsdt_lambda1_15_3.F ccsdt_lambda1_15_4_1.F ccsdt_lambda1_15_4.F ccsdt_lambda1_15.F ccsdt_lambda1_16_1.F ccsdt_lambda1_16_2.F ccsdt_lambda1_16_3_1.F ccsdt_lambda1_16_3_2.F ccsdt_lambda1_16_3.F ccsdt_lambda1_16_4_1.F ccsdt_lambda1_16_4.F ccsdt_lambda1_16.F ccsdt_lambda1_17_1.F ccsdt_lambda1_17.F ccsdt_lambda1_18_1_2.F ccsdt_lambda1_18_1_3.F ccsdt_lambda1_18_1_4.F ccsdt_lambda1_18_1.F ccsdt_lambda1_18_2_2.F ccsdt_lambda1_18_2.F ccsdt_lambda1_18_3_2.F ccsdt_lambda1_18_3.F ccsdt_lambda1_18_4.F ccsdt_lambda1_18_5_1.F ccsdt_lambda1_18_5.F ccsdt_lambda1_18_6_1_1.F ccsdt_lambda1_18_6_1.F ccsdt_lambda1_18_6.F ccsdt_lambda1_18.F ccsdt_lambda1_19_1.F ccsdt_lambda1_19.F ccsdt_lambda1_20_1_1.F ccsdt_lambda1_20_1.F ccsdt_lambda1_20.F ccsdt_lambda1_21_1_1.F ccsdt_lambda1_21_1.F ccsdt_lambda1_21_2_1_1.F ccsdt_lambda1_21_2_1.F ccsdt_lambda1_21_2.F ccsdt_lambda1_21.F ccsdt_lambda1_2_2_2.F ccsdt_lambda1_2_2.F ccsdt_lambda1_2_3.F ccsdt_lambda1_2_4.F ccsdt_lambda1_2.F ccsdt_lambda1_3_2.F ccsdt_lambda1_3_3_1.F ccsdt_lambda1_3_3.F ccsdt_lambda1_3.F ccsdt_lambda1_4.F ccsdt_lambda1_5_2_2_2.F ccsdt_lambda1_5_2_2.F ccsdt_lambda1_5_2_3.F ccsdt_lambda1_5_2_4.F ccsdt_lambda1_5_2.F ccsdt_lambda1_5_3_2.F ccsdt_lambda1_5_3.F ccsdt_lambda1_5_4.F ccsdt_lambda1_5_5_2.F ccsdt_lambda1_5_5.F ccsdt_lambda1_5_6_2.F ccsdt_lambda1_5_6.F ccsdt_lambda1_5_7.F ccsdt_lambda1_5_8.F ccsdt_lambda1_5.F ccsdt_lambda1_6_2_2_2.F ccsdt_lambda1_6_2_2.F ccsdt_lambda1_6_2_3.F ccsdt_lambda1_6_2.F ccsdt_lambda1_6_3_2.F ccsdt_lambda1_6_3.F ccsdt_lambda1_6_4_2.F ccsdt_lambda1_6_4.F ccsdt_lambda1_6_5_2.F ccsdt_lambda1_6_5.F ccsdt_lambda1_6_6.F ccsdt_lambda1_6_7.F ccsdt_lambda1_6.F ccsdt_lambda1_7_2.F ccsdt_lambda1_7.F ccsdt_lambda1_8_10_2.F ccsdt_lambda1_8_10.F ccsdt_lambda1_8_11.F ccsdt_lambda1_8_12_1.F ccsdt_lambda1_8_12_2.F ccsdt_lambda1_8_12_3.F ccsdt_lambda1_8_12.F ccsdt_lambda1_8_13_1.F ccsdt_lambda1_8_13_2.F ccsdt_lambda1_8_13_3.F ccsdt_lambda1_8_13.F ccsdt_lambda1_8_14_1.F ccsdt_lambda1_8_14_2.F ccsdt_lambda1_8_14.F ccsdt_lambda1_8_2_2_2_2.F ccsdt_lambda1_8_2_2_2.F ccsdt_lambda1_8_2_2_3.F ccsdt_lambda1_8_2_2.F ccsdt_lambda1_8_2_3_2.F ccsdt_lambda1_8_2_3.F ccsdt_lambda1_8_2_4.F ccsdt_lambda1_8_2_5_1.F ccsdt_lambda1_8_2_5.F ccsdt_lambda1_8_2.F ccsdt_lambda1_8_3_2.F ccsdt_lambda1_8_3.F ccsdt_lambda1_8_4_2_1.F ccsdt_lambda1_8_4_2.F ccsdt_lambda1_8_4.F ccsdt_lambda1_8_5_2_1.F ccsdt_lambda1_8_5_2.F ccsdt_lambda1_8_5.F ccsdt_lambda1_8_6_2_2.F ccsdt_lambda1_8_6_2.F ccsdt_lambda1_8_6_3.F ccsdt_lambda1_8_6.F ccsdt_lambda1_8_7_2.F ccsdt_lambda1_8_7_3.F ccsdt_lambda1_8_7.F ccsdt_lambda1_8_8.F ccsdt_lambda1_8_9_2.F ccsdt_lambda1_8_9.F ccsdt_lambda1_8.F ccsdt_lambda1_9_2.F ccsdt_lambda1_9_3.F ccsdt_lambda1_9_4_1.F ccsdt_lambda1_9_4_2.F ccsdt_lambda1_9_4_3.F ccsdt_lambda1_9_4.F ccsdt_lambda1_9_5_1.F ccsdt_lambda1_9_5_2.F ccsdt_lambda1_9_5.F ccsdt_lambda1_9_6_1.F ccsdt_lambda1_9_6.F ccsdt_lambda1_9.F ccsdt_lambda2_10_2_2_2.F ccsdt_lambda2_10_2_2.F ccsdt_lambda2_10_2_3.F ccsdt_lambda2_10_2_4.F ccsdt_lambda2_10_2.F ccsdt_lambda2_10_3_2.F ccsdt_lambda2_10_3_3.F ccsdt_lambda2_10_3.F ccsdt_lambda2_10_4.F ccsdt_lambda2_10_5_2.F ccsdt_lambda2_10_5.F ccsdt_lambda2_10_6.F ccsdt_lambda2_10_7.F ccsdt_lambda2_10_8.F ccsdt_lambda2_10.F ccsdt_lambda2_11_2_2_2.F ccsdt_lambda2_11_2_2.F ccsdt_lambda2_11_2_3.F ccsdt_lambda2_11_2.F ccsdt_lambda2_11_3_2.F ccsdt_lambda2_11_3.F ccsdt_lambda2_11_4_2.F ccsdt_lambda2_11_4.F ccsdt_lambda2_11_5_2.F ccsdt_lambda2_11_5.F ccsdt_lambda2_11_6.F ccsdt_lambda2_11_7.F ccsdt_lambda2_11.F ccsdt_lambda2_12_2.F ccsdt_lambda2_12_3_2.F ccsdt_lambda2_12_3.F ccsdt_lambda2_12_4.F ccsdt_lambda2_12_5.F ccsdt_lambda2_12_6_1.F ccsdt_lambda2_12_6.F ccsdt_lambda2_12_7_1.F ccsdt_lambda2_12_7.F ccsdt_lambda2_12.F ccsdt_lambda2_13_1.F ccsdt_lambda2_13_2.F ccsdt_lambda2_13_3.F ccsdt_lambda2_13.F ccsdt_lambda2_14_1.F ccsdt_lambda2_14_2.F ccsdt_lambda2_14.F ccsdt_lambda2_15_1.F ccsdt_lambda2_15_2.F ccsdt_lambda2_15.F ccsdt_lambda2_16_1.F ccsdt_lambda2_16_2.F ccsdt_lambda2_16.F ccsdt_lambda2_17_1.F ccsdt_lambda2_17.F ccsdt_lambda2_18_1.F ccsdt_lambda2_18_2.F ccsdt_lambda2_18.F ccsdt_lambda2_19_1.F ccsdt_lambda2_19_2.F ccsdt_lambda2_19_3_1.F ccsdt_lambda2_19_3.F ccsdt_lambda2_19_4_1.F ccsdt_lambda2_19_4.F ccsdt_lambda2_19.F ccsdt_lambda2_20_1.F ccsdt_lambda2_20.F ccsdt_lambda2_21_1.F ccsdt_lambda2_21.F ccsdt_lambda2_22_1.F ccsdt_lambda2_2_2.F ccsdt_lambda2_22.F ccsdt_lambda2_23_1.F ccsdt_lambda2_23_2_1.F ccsdt_lambda2_23_2_2.F ccsdt_lambda2_23_2.F ccsdt_lambda2_23_3_1.F ccsdt_lambda2_23_3.F ccsdt_lambda2_23.F ccsdt_lambda2_24_1_1.F ccsdt_lambda2_24_1.F ccsdt_lambda2_24.F ccsdt_lambda2_25_1_1.F ccsdt_lambda2_25_1.F ccsdt_lambda2_25.F ccsdt_lambda2_26_1_1.F ccsdt_lambda2_26_1.F ccsdt_lambda2_26_2_1_1.F ccsdt_lambda2_26_2_1.F ccsdt_lambda2_26_2.F ccsdt_lambda2_26.F ccsdt_lambda2_2.F ccsdt_lambda2_3_2.F ccsdt_lambda2_3.F ccsdt_lambda2_4.F ccsdt_lambda2_5_2_2.F ccsdt_lambda2_5_2.F ccsdt_lambda2_5_3.F ccsdt_lambda2_5_4.F ccsdt_lambda2_5.F ccsdt_lambda2_6_2.F ccsdt_lambda2_6_3.F ccsdt_lambda2_6_4_1.F ccsdt_lambda2_6_4.F ccsdt_lambda2_6.F ccsdt_lambda2_7_2_2.F ccsdt_lambda2_7_2.F ccsdt_lambda2_7_3.F ccsdt_lambda2_7.F ccsdt_lambda2_8_2.F ccsdt_lambda2_8_3.F ccsdt_lambda2_8.F ccsdt_lambda2_9.F ccsdt_lambda3.F converting ccsdt_density1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda3.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Making 64_to_32 in eomccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 eomccsdt_denominator.F eomccsdt_density1_1_1.F eomccsdt_density1_1_2.F eomccsdt_density1_1_3.F eomccsdt_density1_1.F eomccsdt_density1_2_1.F eomccsdt_density1_2_2_1.F eomccsdt_density1_2_2.F eomccsdt_density1_2.F eomccsdt_density1_3_1.F eomccsdt_density1_3_2.F eomccsdt_density1_3_3.F eomccsdt_density1_3_4_1.F eomccsdt_density1_3_4_2.F eomccsdt_density1_3_4_3.F eomccsdt_density1_3_4.F eomccsdt_density1_3_5_1.F eomccsdt_density1_3_5_2.F eomccsdt_density1_3_5.F eomccsdt_density1_3_6_1.F eomccsdt_density1_3_6.F eomccsdt_density1_3.F eomccsdt_density1_4_1.F eomccsdt_density1_4_2_1.F eomccsdt_density1_4_2.F eomccsdt_density1_4.F eomccsdt_density1_5_10_1.F eomccsdt_density1_5_10_2_1.F eomccsdt_density1_5_10_2_2.F eomccsdt_density1_5_10_2.F eomccsdt_density1_5_10_3_1.F eomccsdt_density1_5_10_3.F eomccsdt_density1_5_10.F eomccsdt_density1_5_11_1.F eomccsdt_density1_5_11.F eomccsdt_density1_5_12_1.F eomccsdt_density1_5_12.F eomccsdt_density1_5_13_1_1.F eomccsdt_density1_5_13_1.F eomccsdt_density1_5_13.F eomccsdt_density1_5_1.F eomccsdt_density1_5_2.F eomccsdt_density1_5_3_1.F eomccsdt_density1_5_3_2.F eomccsdt_density1_5_3_3.F eomccsdt_density1_5_3_4_1.F eomccsdt_density1_5_3_4_2.F eomccsdt_density1_5_3_4_3.F eomccsdt_density1_5_3_4.F eomccsdt_density1_5_3_5_1.F eomccsdt_density1_5_3_5_2.F eomccsdt_density1_5_3_5.F eomccsdt_density1_5_3_6_1.F eomccsdt_density1_5_3_6.F eomccsdt_density1_5_3.F eomccsdt_density1_5_4_1.F eomccsdt_density1_5_4_2.F eomccsdt_density1_5_4_3.F eomccsdt_density1_5_4.F eomccsdt_density1_5_5_1.F eomccsdt_density1_5_5_2.F eomccsdt_density1_5_5_3.F eomccsdt_density1_5_5.F eomccsdt_density1_5_6_1.F eomccsdt_density1_5_6_2.F eomccsdt_density1_5_6.F eomccsdt_density1_5_7_1.F eomccsdt_density1_5_7.F eomccsdt_density1_5_8_1.F eomccsdt_density1_5_8_2.F eomccsdt_density1_5_8_3.F eomccsdt_density1_5_8.F eomccsdt_density1_5_9_1.F eomccsdt_density1_5_9_2.F eomccsdt_density1_5_9.F eomccsdt_density1_5.F eomccsdt_density1_6_1.F eomccsdt_density1_6_2.F eomccsdt_density1_6_3_1.F eomccsdt_density1_6_3_2.F eomccsdt_density1_6_3.F eomccsdt_density1_6_4_1.F eomccsdt_density1_6_4_2.F eomccsdt_density1_6_4.F eomccsdt_density1_6_5_1.F eomccsdt_density1_6_5.F eomccsdt_density1_6.F eomccsdt_x1a.F eomccsdt_x1.F eomccsdt_x2a_all12.F eomccsdt_x2a_all15.F eomccsdt_x2a_all18.F eomccsdt_x2a_all3.F eomccsdt_x2a_all6.F eomccsdt_x2a_all9.F eomccsdt_x2_all12.F eomccsdt_x2_all15.F eomccsdt_x2_all18.F eomccsdt_x2_all3.F eomccsdt_x2_all6.F eomccsdt_x2_all9.F eomccsdt_x3a_all12.F eomccsdt_x3a_all15.F eomccsdt_x3a_all17.F eomccsdt_x3a_all3.F eomccsdt_x3a_all6.F eomccsdt_x3a_all9.F eomccsdt_x3_all12.F eomccsdt_x3_all15.F eomccsdt_x3_all17.F eomccsdt_x3_all3.F eomccsdt_x3_all6.F eomccsdt_x3_all9.F eomccsdt_y1_all12.F eomccsdt_y1_all15.F eomccsdt_y1_all18.F eomccsdt_y1_all20.F eomccsdt_y1_all3.F eomccsdt_y1_all6.F eomccsdt_y1_all9.F eomccsdt_y2_all12.F eomccsdt_y2_all15.F eomccsdt_y2_all18.F eomccsdt_y2_all21.F eomccsdt_y2_all24.F eomccsdt_y2_all25.F eomccsdt_y2_all3.F eomccsdt_y2_all6.F eomccsdt_y2_all9.F eomccsdt_y3.F converting eomccsdt_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all20.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all21.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all24.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all25.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y3.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Making 64_to_32 in ccsd_alpha make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 alpha_1_1_1.F alpha_1_1_2.F alpha_1_1_3_1.F alpha_1_1_3_2.F alpha_1_1_3.F alpha_1_1_4_1.F alpha_1_1_4_2.F alpha_1_1_4.F alpha_1_1_5_1.F alpha_1_1_5.F alpha_1_1_6_1.F alpha_1_1_6.F alpha_1_1.F alpha_1_2_1.F alpha_1_2_2.F alpha_1_2.F alpha_1_3_1.F alpha_1_3.F alpha_1_4_1.F alpha_1_4.F alpha_1.F alpha_2_1_1.F alpha_2_1.F alpha_2_2_1_1.F alpha_2_2_1_2.F alpha_2_2_1.F alpha_2_2_2_1.F alpha_2_2_2_2.F alpha_2_2_2.F alpha_2_2_3_1.F alpha_2_2_3.F alpha_2_2_4_1.F alpha_2_2_4.F alpha_2_2.F alpha_2_3_1_1.F alpha_2_3_1_2.F alpha_2_3_1_3_1.F alpha_2_3_1_3.F alpha_2_3_1_4_1.F alpha_2_3_1_4.F alpha_2_3_1.F alpha_2_3_2_1.F alpha_2_3_2_2.F alpha_2_3_2_3_1.F alpha_2_3_2_3.F alpha_2_3_2_4_1.F alpha_2_3_2_4.F alpha_2_3_2.F alpha_2_3_3_1.F alpha_2_3_3.F alpha_2_3_4_1.F alpha_2_3_4.F alpha_2_3_5_1.F alpha_2_3_5.F alpha_2_3_6_1.F alpha_2_3_6.F alpha_2_3_7_1.F alpha_2_3_7.F alpha_2_3_8_1.F alpha_2_3_8.F alpha_2_3_9_1_1.F alpha_2_3_9_1.F alpha_2_3_9_2_1.F alpha_2_3_9_2.F alpha_2_3_9.F alpha_2_3.F alpha_2_4_1_1.F alpha_2_4_1.F alpha_2_4.F alpha_2_5_10_1_1.F alpha_2_5_10_1.F alpha_2_5_10_2_1.F alpha_2_5_10_2.F alpha_2_5_10_3_1.F alpha_2_5_10_3.F alpha_2_5_10_4_1.F alpha_2_5_10_4.F alpha_2_5_10_5_1.F alpha_2_5_10_5.F alpha_2_5_10_6_1.F alpha_2_5_10_6.F alpha_2_5_10_7_1.F alpha_2_5_10_7.F alpha_2_5_10_8_1_1.F alpha_2_5_10_8_1.F alpha_2_5_10_8.F alpha_2_5_10.F alpha_2_5_11_1_1.F alpha_2_5_11_1.F alpha_2_5_1_1.F alpha_2_5_11.F alpha_2_5_12_1_1.F alpha_2_5_12_1.F alpha_2_5_1_2.F alpha_2_5_12.F alpha_2_5_13_1_1.F alpha_2_5_1_3_1.F alpha_2_5_13_1.F alpha_2_5_13_2_1.F alpha_2_5_13_2.F alpha_2_5_1_3.F alpha_2_5_13.F alpha_2_5_14_1_1.F alpha_2_5_14_1.F alpha_2_5_14_2_1.F alpha_2_5_14_2.F alpha_2_5_14.F alpha_2_5_1.F alpha_2_5_2_1.F alpha_2_5_2.F alpha_2_5_3_1.F alpha_2_5_3_2.F alpha_2_5_3.F alpha_2_5_4_1.F alpha_2_5_4_2_1.F alpha_2_5_4_2.F alpha_2_5_4.F alpha_2_5_5_1.F alpha_2_5_5_2.F alpha_2_5_5.F alpha_2_5_6_1.F alpha_2_5_6.F alpha_2_5_7_1.F alpha_2_5_7.F alpha_2_5_8_1.F alpha_2_5_8.F alpha_2_5_9_1.F alpha_2_5_9.F alpha_2_5.F alpha_2_6_1_1.F alpha_2_6_1.F alpha_2_6.F alpha_2_7_1_1.F alpha_2_7_1_2_1.F alpha_2_7_1_2.F alpha_2_7_1.F alpha_2_7_2_1.F alpha_2_7_2.F alpha_2_7_3_1.F alpha_2_7_3.F alpha_2_7_4_1.F alpha_2_7_4_2_1.F alpha_2_7_4_2.F alpha_2_7_4.F alpha_2_7_5_1.F alpha_2_7_5.F alpha_2_7_6_1.F alpha_2_7_6.F alpha_2_7_7_1_1.F alpha_2_7_7_1.F alpha_2_7_7.F alpha_2_7.F alpha_2_8_1_1.F alpha_2_8_1.F alpha_2_8_2_1.F alpha_2_8_2.F alpha_2_8_3_1.F alpha_2_8_3.F alpha_2_8_4_1_1.F alpha_2_8_4_1_2_1.F alpha_2_8_4_1_2.F alpha_2_8_4_1.F alpha_2_8_4_2_1.F alpha_2_8_4_2.F alpha_2_8_4_3_1.F alpha_2_8_4_3_2_1.F alpha_2_8_4_3_2.F alpha_2_8_4_3.F alpha_2_8_4_4_1.F alpha_2_8_4_4.F alpha_2_8_4_5_1_1.F alpha_2_8_4_5_1.F alpha_2_8_4_5.F alpha_2_8_4.F alpha_2_8_5_1_1.F alpha_2_8_5_1.F alpha_2_8_5_2_1.F alpha_2_8_5_2.F alpha_2_8_5.F alpha_2_8_6_1_1.F alpha_2_8_6_1.F alpha_2_8_6_2_1.F alpha_2_8_6_2.F alpha_2_8_6_3_1.F alpha_2_8_6_3.F alpha_2_8_6_4_1.F alpha_2_8_6_4.F alpha_2_8_6.F alpha_2_8_7_1_1.F alpha_2_8_7_1.F alpha_2_8_7.F alpha_2_8_8_1_1.F alpha_2_8_8_1.F alpha_2_8_8.F alpha_2_8.F alpha_2.F dip_r_1_1.F dip_r_1_2.F dip_r_1.F dip_r_2.F dip_r.F converting alpha_1_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_2.F to 32-bit integers for BLAS/LAPACK converting dip_r.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Making 64_to_32 in ccsd_beta make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 beta_1_all.F beta_2_all.F beta_3_all.F beta_4_all.F beta_1_3_3_1_1.F beta_1_4_1_2_1.F beta_1_3_1_4_1.F beta_3_7_5_1_1.F beta_3_1_3_1.F beta_3_2_1_2.F beta_1_4_2_2.F beta_1_3_4_1.F beta_1_4_1_4.F beta_1_3_1_7.F beta_3_7_2_1.F beta_3_2_9_2.F beta_3_3_1.F beta_4_1_2.F beta_3_2_3.F beta_3_4_11_1.F beta_3_4_10_3.F beta_1_4_5.F beta_1_3_7.F beta_1_4_1_1_2_1.F beta_4_3.F beta_3_5.F beta_1_4_2_1_1.F beta_1_4_6_3_1.F beta_3_7_4_3_1.F beta_3_2_2_1.F beta_1_4_3_1.F beta_3_2_1_3.F beta_3_4_10_1_1.F beta_1_4_1_5.F beta_1_3_1_8.F beta_3_6_4_1.F beta_3_4_7_1.F beta_4_2_1.F beta_3_2_4.F beta_1_4_6.F beta_3_4_10_4.F beta_1_3_8.F beta_4_4.F beta_3_6.F beta_3_7_4_5_1_1.F beta_1_1_1_1_1.F beta_1_4_1_3_1.F beta_1_3_1_5_1.F beta_3_6_1_2_1.F beta_3_6_7_1_1.F beta_3_7_5_2_1.F beta_3_7_4_3_2.F beta_3_3_1_1.F beta_3_2_2_2.F beta_3_1_4_1.F beta_3_2_1_4.F beta_1_3_5_1.F beta_1_4_3_2.F beta_3_7_3_1.F beta_3_6_4_2.F beta_3_4_1.F beta_3_4_12_1.F beta_3_2_5.F beta_3_4_10_5.F beta_1_4_6_1_1_1.F beta_3_7.F beta_1_3_4_1_1.F beta_1_4_2_2_1.F beta_1_4_1_3_2.F beta_3_4_4_2_1.F beta_3_7_6_1_1.F beta_3_7_4_4_1.F beta_3_2_3_1.F beta_3_4_10_2_1.F beta_3_2_2_3.F beta_1_4_4_1.F beta_1_4_3_3.F beta_3_6_5_1.F beta_3_4_8_1.F beta_4_3_1.F beta_3_4_2.F beta_3_2_6.F beta_3_4_10_6.F beta_1_1_1_2_1.F beta_1_4_3_1_1.F beta_3_2_1_3_1.F beta_1_4_1_4_1.F beta_1_3_1_6_1.F beta_1_1_1_1.F beta_3_4_11_1_1.F beta_1_3_6_1.F beta_3_2_2_4.F beta_1_4_3_4.F beta_3_7_4_1.F beta_4_3_2.F beta_3_5_1.F beta_3_4_3.F beta_3_4_13_1.F beta_3_2_7.F beta_3_4_10_7.F beta_1_1_2_1_1.F beta_3_7_6_2_1.F beta_3_7_4_5_1.F beta_1_1_1_2.F beta_3_4_1_1.F beta_3_2_4_1.F beta_1_4_5_1.F beta_3_4_10_3_1.F beta_1_3_6_2.F beta_3_7_4_2.F beta_3_6_6_1.F beta_3_4_9_1.F beta_4_4_1.F beta_4_3_3.F beta_3_4_4.F beta_3_4_13_2.F beta_3_2_8.F beta_3_4_10_8.F beta_1_4_6_2_1_1.F beta_1_3_8_1_1_1.F beta_1_2_1_1_1.F beta_1_4_3_2_1.F beta_1_3_5_1_1.F beta_3_2_1_4_1.F beta_1_4_1_5_1.F beta_1_3_1_7_1.F beta_3_7_7_1_1.F beta_1_1_2_1.F beta_3_4_1_2.F beta_1_3_7_1.F beta_3_7_5_1.F beta_3_7_4_3.F beta_1_1_1.F beta_3_6_1.F beta_4_3_4.F beta_3_4_14_1.F beta_3_4_5.F beta_3_2_9.F beta_1_4_1_3_2_1.F beta_1_1_2_2_1.F beta_1_4_4_1_1.F beta_3_2_2_3_1.F beta_3_7_6_3_1.F beta_1_2_1_1.F beta_1_1_2_2.F beta_3_4_2_1.F beta_3_2_5_1.F beta_3_4_12_1_1.F beta_3_4_1_3.F beta_1_4_6_1.F beta_3_4_10_4_1.F beta_1_3_7_2.F beta_3_7_5_2.F beta_3_6_7_1.F beta_3_7_4_4.F beta_1_1_2.F beta_3_6_2.F beta_4_3_5.F beta_3_4_14_2.F beta_3_4_6.F beta_3_7_4_1_2_1.F beta_1_1_3_1_1.F beta_1_4_3_3_1.F beta_1_3_1_8_1.F beta_3_2_9_1_1.F beta_2_1_1_1.F beta_1_1_3_1.F beta_4_3_2_1.F beta_3_5_1_1.F beta_1_4_6_2.F beta_1_3_8_1.F beta_3_7_6_1.F beta_3_7_4_5.F beta_1_2_1.F beta_1_1_3.F beta_3_7_1.F beta_3_6_3.F beta_3_4_7.F beta_1_1.F beta_1_4_6_3_1_1.F beta_1_2_2_1_1.F beta_1_3_6_1_1.F beta_3_2_2_4_1.F beta_3_4_10_8_1_1.F beta_3_7_8_1_1.F beta_3_7_6_4_1.F beta_2_1_1_2.F beta_1_2_2_1.F beta_1_1_3_2.F beta_4_3_2_2.F beta_3_4_3_1.F beta_3_2_6_1.F beta_3_4_10_5_1.F beta_1_4_6_3.F beta_3_7_6_2.F beta_2_1_1.F beta_1_2_2.F beta_3_7_2.F beta_3_6_4.F beta_3_4_8.F beta_1_2.F beta_1_3_1_1_1.F beta_1_1_3_2_1.F beta_1_4_5_1_1.F beta_1_4_3_4_1.F beta_3_2_9_2_1.F beta_2_1_2_1.F beta_1_3_1_1.F beta_4_3_3_1.F beta_3_4_3_2.F beta_3_4_13_1_1.F beta_3_7_7_1.F beta_3_7_6_3.F beta_1_3_1.F beta_2_1_2.F beta_1_2_3.F beta_3_7_3.F beta_3_6_5.F beta_3_4_9.F beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F beta_2_1_2_2.F beta_1_3_1_2.F beta_1_2_3_1.F beta_3_6_1_1.F beta_3_4_4_1.F beta_4_3_3_2.F beta_3_2_7_1.F beta_3_4_10_6_1.F beta_3_7_6_4.F beta_2_1_3.F beta_1_3_2.F beta_3_7_4.F beta_3_6_6.F beta_1_4.F beta_3_4_10.F beta_1_3_1_2_1.F beta_1_2_3_1_1.F beta_3_4_1_3_1.F beta_1_3_7_1_1.F beta_3_1_1_1.F beta_1_3_2_1.F beta_2_1_3_1.F beta_1_3_1_3.F beta_4_3_4_1.F beta_3_6_1_2.F beta_3_4_13_2_1.F beta_3_4_4_2.F beta_3_7_8_1.F beta_3_1_1.F beta_1_4_1.F beta_1_3_3.F beta_2_1_4.F beta_3_7_5.F beta_3_6_7.F beta_3_1.F beta_3_4_11.F beta_1_3_2_1_1.F beta_1_4_6_1_1.F beta_3_7_4_1_1.F beta_1_4_1_1.F beta_3_1_1_2.F beta_1_3_1_4.F beta_3_6_2_1.F beta_3_4_14_1_1.F beta_3_4_5_1.F beta_3_2_8_1.F beta_3_4_10_7_1.F beta_3_1_2.F beta_1_4_2.F beta_1_3_4.F beta_3_7_6.F beta_3_2.F beta_3_4_12.F beta_3_7_4_3_2_1.F beta_1_4_1_1_1.F beta_1_3_1_3_1.F beta_1_3_7_2_1.F beta_3_7_4_1_2.F beta_3_1_2_1.F beta_1_4_1_2.F beta_1_3_3_1.F beta_2_1_4_1.F beta_1_3_1_5.F beta_3_7_1_1.F beta_4_3_5_1.F beta_3_4_5_2.F beta_3_2_1.F beta_3_1_3.F beta_1_4_3.F beta_3_4_10_1.F beta_1_3_5.F beta_3_7_7.F beta_4_1.F beta_3_3.F beta_3_4_13.F beta_1_3_1_8_1_1.F beta_1_4_1_1_2.F beta_1_4_6_2_1.F beta_1_3_8_1_1.F beta_3_7_4_2_1.F beta_3_2_1_1.F beta_1_4_2_1.F beta_3_1_2_2.F beta_1_4_1_3.F beta_1_3_1_6.F beta_3_6_3_1.F beta_3_4_14_2_1.F beta_3_4_6_1.F beta_3_2_9_1.F beta_3_4_10_8_1.F beta_4_1_1.F beta_3_2_2.F beta_3_1_4.F beta_1_4_4.F beta_3_4_10_2.F beta_1_3_6.F beta_3_7_8.F beta_4_2.F beta_3_4.F beta_3_4_14.F converting beta_1_all.F to 32-bit integers for BLAS/LAPACK converting beta_2_all.F to 32-bit integers for BLAS/LAPACK converting beta_3_all.F to 32-bit integers for BLAS/LAPACK converting beta_4_all.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9.F to 32-bit integers for BLAS/LAPACK converting beta_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7.F to 32-bit integers for BLAS/LAPACK converting beta_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Making 64_to_32 in ccsd_yr make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_y_o1.F ccsd_y_o2.F ccsd_yr1.F ccsd_yr2.F ccsd_y_tr1.F ccsd_y_tr2.F alpha_2_yr.F ccsd_lr_d1_hh.F ccsd_lr_d1_ph.F ccsd_lr_d1_hp.F ccsd_lr_d1_pp.F converting ccsd_y_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_o2.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr2.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_yr.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_pp.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Making 64_to_32 in response make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' Making 64_to_32 in ccsdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdtq_e.F ccsdtq_t1.F ccsdtq_t2.F ccsdtq_t3_10.F ccsdtq_t3_11_1_2_2.F ccsdtq_t3_11_1_2.F ccsdtq_t3_11_1_3.F ccsdtq_t3_11_1_4.F ccsdtq_t3_11_1.F ccsdtq_t3_11_2_2.F ccsdtq_t3_11_2.F ccsdtq_t3_11_3_2.F ccsdtq_t3_11_3.F ccsdtq_t3_11_4.F ccsdtq_t3_11_5.F ccsdtq_t3_11_6_1.F ccsdtq_t3_11_6.F ccsdtq_t3_11.F ccsdtq_t3_12_1.F ccsdtq_t3_1_2_2_2.F ccsdtq_t3_1_2_2.F ccsdtq_t3_1_2_3.F ccsdtq_t3_1_2.F ccsdtq_t3_12.F ccsdtq_t3_1_3_2.F ccsdtq_t3_1_3.F ccsdtq_t3_1_4_2.F ccsdtq_t3_1_4.F ccsdtq_t3_1_5_2.F ccsdtq_t3_1_5.F ccsdtq_t3_1_6.F ccsdtq_t3_1_7.F ccsdtq_t3_1.F ccsdtq_t3_2_2.F ccsdtq_t3_2_3_2.F ccsdtq_t3_2_3.F ccsdtq_t3_2_4.F ccsdtq_t3_2_5.F ccsdtq_t3_2.F ccsdtq_t3_3_2_2.F ccsdtq_t3_3_2.F ccsdtq_t3_3_3.F ccsdtq_t3_3_4.F ccsdtq_t3_3.F ccsdtq_t3_4_2.F ccsdtq_t3_4_3.F ccsdtq_t3_4.F ccsdtq_t3_5_2_2.F ccsdtq_t3_5_2.F ccsdtq_t3_5_3.F ccsdtq_t3_5.F ccsdtq_t3_6_2.F ccsdtq_t3_6_3.F ccsdtq_t3_6.F ccsdtq_t3_7.F ccsdtq_t3_8_2.F ccsdtq_t3_8.F ccsdtq_t3_9_2.F ccsdtq_t3_9.F ccsdtq_t4_10_1_2.F ccsdtq_t4_10_1.F ccsdtq_t4_10_2_2.F ccsdtq_t4_10_2.F ccsdtq_t4_10_3.F ccsdtq_t4_10_4.F ccsdtq_t4_10.F ccsdtq_t4_11_1.F ccsdtq_t4_11.F ccsdtq_t4_12_1.F ccsdtq_t4_1_2_2_2.F ccsdtq_t4_1_2_2.F ccsdtq_t4_1_2_3.F ccsdtq_t4_1_2.F ccsdtq_t4_12.F ccsdtq_t4_13_1.F ccsdtq_t4_1_3_2.F ccsdtq_t4_1_3.F ccsdtq_t4_13.F ccsdtq_t4_1_4_2.F ccsdtq_t4_1_4.F ccsdtq_t4_1_5_2.F ccsdtq_t4_1_5.F ccsdtq_t4_1_6.F ccsdtq_t4_1_7.F ccsdtq_t4_1.F ccsdtq_t4_2_2.F ccsdtq_t4_2_3_2.F ccsdtq_t4_2_3.F ccsdtq_t4_2_4.F ccsdtq_t4_2_5.F ccsdtq_t4_2.F ccsdtq_t4_3_2_2.F ccsdtq_t4_3_2.F ccsdtq_t4_3_3.F ccsdtq_t4_3_4.F ccsdtq_t4_3.F ccsdtq_t4_4_2.F ccsdtq_t4_4_3.F ccsdtq_t4_4.F ccsdtq_t4_5_2_2.F ccsdtq_t4_5_2.F ccsdtq_t4_5_3.F ccsdtq_t4_5.F ccsdtq_t4_6_2.F ccsdtq_t4_6_3.F ccsdtq_t4_6.F ccsdtq_t4_7.F ccsdtq_t4_8_1_2_2.F ccsdtq_t4_8_1_2.F ccsdtq_t4_8_1_3.F ccsdtq_t4_8_1_4.F ccsdtq_t4_8_1.F ccsdtq_t4_8_2_2.F ccsdtq_t4_8_2.F ccsdtq_t4_8_3_2.F ccsdtq_t4_8_3.F ccsdtq_t4_8_4.F ccsdtq_t4_8_5_1.F ccsdtq_t4_8_5.F ccsdtq_t4_8_6_1_2.F ccsdtq_t4_8_6_1.F ccsdtq_t4_8_6_2.F ccsdtq_t4_8_6.F ccsdtq_t4_8.F ccsdtq_t4_9_1_2_2.F ccsdtq_t4_9_1_2.F ccsdtq_t4_9_1_3.F ccsdtq_t4_9_1.F ccsdtq_t4_9_2_2_2.F ccsdtq_t4_9_2_2.F ccsdtq_t4_9_2_3.F ccsdtq_t4_9_2_4.F ccsdtq_t4_9_2.F ccsdtq_t4_9_3_2.F ccsdtq_t4_9_3.F ccsdtq_t4_9_4_2.F ccsdtq_t4_9_4.F ccsdtq_t4_9_5_2.F ccsdtq_t4_9_5.F ccsdtq_t4_9_6.F ccsdtq_t4_9.F converting ccsdtq_e.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_6_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' Making 64_to_32 in ccsdtq_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdtq_density1.F ccsdtq_lambda1_10_1.F ccsdtq_lambda1_10_2.F ccsdtq_lambda1_10_3.F ccsdtq_lambda1_10_4.F ccsdtq_lambda1_10.F ccsdtq_lambda1_11_1.F ccsdtq_lambda1_11_2.F ccsdtq_lambda1_11_3.F ccsdtq_lambda1_11_4.F ccsdtq_lambda1_11.F ccsdtq_lambda1_12_1.F ccsdtq_lambda1_12_2.F ccsdtq_lambda1_12_3.F ccsdtq_lambda1_12_4.F ccsdtq_lambda1_12.F ccsdtq_lambda1_13_1.F ccsdtq_lambda1_13_2.F ccsdtq_lambda1_13_3.F ccsdtq_lambda1_13.F ccsdtq_lambda1_14_10_1.F ccsdtq_lambda1_14_10_2.F ccsdtq_lambda1_14_10.F ccsdtq_lambda1_14_11_1.F ccsdtq_lambda1_14_11.F ccsdtq_lambda1_14_12_1_1.F ccsdtq_lambda1_14_12_1.F ccsdtq_lambda1_14_12_2_1.F ccsdtq_lambda1_14_12_2.F ccsdtq_lambda1_14_12.F ccsdtq_lambda1_14_13_1_1.F ccsdtq_lambda1_14_13_1.F ccsdtq_lambda1_14_13.F ccsdtq_lambda1_14_1.F ccsdtq_lambda1_14_2.F ccsdtq_lambda1_14_3.F ccsdtq_lambda1_14_4_1.F ccsdtq_lambda1_14_4_2.F ccsdtq_lambda1_14_4_3.F ccsdtq_lambda1_14_4_4_1.F ccsdtq_lambda1_14_4_4_2.F ccsdtq_lambda1_14_4_4_3.F ccsdtq_lambda1_14_4_4.F ccsdtq_lambda1_14_4_5_1.F ccsdtq_lambda1_14_4_5.F ccsdtq_lambda1_14_4.F ccsdtq_lambda1_14_5_1.F ccsdtq_lambda1_14_5.F ccsdtq_lambda1_14_6_1.F ccsdtq_lambda1_14_6_2.F ccsdtq_lambda1_14_6_3.F ccsdtq_lambda1_14_6.F ccsdtq_lambda1_14_7_1.F ccsdtq_lambda1_14_7_2.F ccsdtq_lambda1_14_7.F ccsdtq_lambda1_14_8_1.F ccsdtq_lambda1_14_8.F ccsdtq_lambda1_14_9_1.F ccsdtq_lambda1_14_9_2.F ccsdtq_lambda1_14_9.F ccsdtq_lambda1_14.F ccsdtq_lambda1_15_1.F ccsdtq_lambda1_15_2.F ccsdtq_lambda1_15_3.F ccsdtq_lambda1_15_4_1.F ccsdtq_lambda1_15_4.F ccsdtq_lambda1_15_5_1.F ccsdtq_lambda1_15_5_2.F ccsdtq_lambda1_15_5.F ccsdtq_lambda1_15_6_1.F ccsdtq_lambda1_15_6.F ccsdtq_lambda1_15.F ccsdtq_lambda1_16_1.F ccsdtq_lambda1_16_2.F ccsdtq_lambda1_16_3.F ccsdtq_lambda1_16_4_1.F ccsdtq_lambda1_16_4_2.F ccsdtq_lambda1_16_4_3.F ccsdtq_lambda1_16_4.F ccsdtq_lambda1_16_5_1.F ccsdtq_lambda1_16_5_2.F ccsdtq_lambda1_16_5.F ccsdtq_lambda1_16_6_1.F ccsdtq_lambda1_16_6.F ccsdtq_lambda1_16.F ccsdtq_lambda1_17_1.F ccsdtq_lambda1_17_2.F ccsdtq_lambda1_17.F ccsdtq_lambda1_18_1_2.F ccsdtq_lambda1_18_1_3.F ccsdtq_lambda1_18_1_4.F ccsdtq_lambda1_18_1.F ccsdtq_lambda1_18_2_2.F ccsdtq_lambda1_18_2.F ccsdtq_lambda1_18_3_2.F ccsdtq_lambda1_18_3.F ccsdtq_lambda1_18_4.F ccsdtq_lambda1_18_5.F ccsdtq_lambda1_18_6_1.F ccsdtq_lambda1_18_6.F ccsdtq_lambda1_18_7_1_1.F ccsdtq_lambda1_18_7_1.F ccsdtq_lambda1_18_7.F ccsdtq_lambda1_18.F ccsdtq_lambda1_19_1.F ccsdtq_lambda1_19_2.F ccsdtq_lambda1_19.F ccsdtq_lambda1_20_10.F ccsdtq_lambda1_20_11_1.F ccsdtq_lambda1_20_11_2.F ccsdtq_lambda1_20_11_3.F ccsdtq_lambda1_20_11.F ccsdtq_lambda1_20_12_1.F ccsdtq_lambda1_20_1_2_2.F ccsdtq_lambda1_20_12_2.F ccsdtq_lambda1_20_12_3.F ccsdtq_lambda1_20_1_2.F ccsdtq_lambda1_20_12.F ccsdtq_lambda1_20_13_1.F ccsdtq_lambda1_20_1_3.F ccsdtq_lambda1_20_13.F ccsdtq_lambda1_20_14_1.F ccsdtq_lambda1_20_1_4_3.F ccsdtq_lambda1_20_1_4.F ccsdtq_lambda1_20_14.F ccsdtq_lambda1_20_15_1_3.F ccsdtq_lambda1_20_15_1.F ccsdtq_lambda1_20_15_2.F ccsdtq_lambda1_20_15_3_1_1.F ccsdtq_lambda1_20_15_3_1.F ccsdtq_lambda1_20_15_3.F ccsdtq_lambda1_20_1_5.F ccsdtq_lambda1_20_15.F ccsdtq_lambda1_20_16_1.F ccsdtq_lambda1_20_16_2_1_1.F ccsdtq_lambda1_20_16_2_1.F ccsdtq_lambda1_20_16_2.F ccsdtq_lambda1_20_16.F ccsdtq_lambda1_20_17_1.F ccsdtq_lambda1_20_17.F ccsdtq_lambda1_20_18_1_1.F ccsdtq_lambda1_20_18_1.F ccsdtq_lambda1_20_18.F ccsdtq_lambda1_20_19_1_1.F ccsdtq_lambda1_20_19_1.F ccsdtq_lambda1_20_19.F ccsdtq_lambda1_20_1.F ccsdtq_lambda1_20_20_1_1.F ccsdtq_lambda1_20_20_1.F ccsdtq_lambda1_20_20.F ccsdtq_lambda1_20_21_1_1.F ccsdtq_lambda1_20_21_1.F ccsdtq_lambda1_20_21.F ccsdtq_lambda1_20_22_1_1.F ccsdtq_lambda1_20_22_1.F ccsdtq_lambda1_20_2_2.F ccsdtq_lambda1_20_22.F ccsdtq_lambda1_20_23_1_1.F ccsdtq_lambda1_20_23_1.F ccsdtq_lambda1_20_2_3.F ccsdtq_lambda1_20_23.F ccsdtq_lambda1_20_24_1_1.F ccsdtq_lambda1_20_24_1.F ccsdtq_lambda1_20_2_4_2.F ccsdtq_lambda1_20_2_4.F ccsdtq_lambda1_20_24.F ccsdtq_lambda1_20_2_5.F ccsdtq_lambda1_20_2_6_1.F ccsdtq_lambda1_20_2_6.F ccsdtq_lambda1_20_2.F ccsdtq_lambda1_20_3_2_1.F ccsdtq_lambda1_20_3_2.F ccsdtq_lambda1_20_3.F ccsdtq_lambda1_20_4_2_1.F ccsdtq_lambda1_20_4_2.F ccsdtq_lambda1_20_4.F ccsdtq_lambda1_20_5_2.F ccsdtq_lambda1_20_5_3.F ccsdtq_lambda1_20_5.F ccsdtq_lambda1_20_6_2.F ccsdtq_lambda1_20_6_3.F ccsdtq_lambda1_20_6_4.F ccsdtq_lambda1_20_6.F ccsdtq_lambda1_20_7.F ccsdtq_lambda1_20_8_2.F ccsdtq_lambda1_20_8.F ccsdtq_lambda1_20_9_2.F ccsdtq_lambda1_20_9.F ccsdtq_lambda1_20.F ccsdtq_lambda1_21_1_2.F ccsdtq_lambda1_21_1_3.F ccsdtq_lambda1_21_1_4.F ccsdtq_lambda1_21_1.F ccsdtq_lambda1_21_2_2.F ccsdtq_lambda1_21_2.F ccsdtq_lambda1_21_3_2.F ccsdtq_lambda1_21_3.F ccsdtq_lambda1_21_4.F ccsdtq_lambda1_21_5_1.F ccsdtq_lambda1_21_5.F ccsdtq_lambda1_21_6_1_4.F ccsdtq_lambda1_21_6_1.F ccsdtq_lambda1_21_6.F ccsdtq_lambda1_21_7_1.F ccsdtq_lambda1_21_7.F ccsdtq_lambda1_21_8_1_1.F ccsdtq_lambda1_21_8_1.F ccsdtq_lambda1_21_8.F ccsdtq_lambda1_21.F ccsdtq_lambda1_22_1_1.F ccsdtq_lambda1_22_1_2.F ccsdtq_lambda1_22_1.F ccsdtq_lambda1_22_2_1.F ccsdtq_lambda1_2_2_2.F ccsdtq_lambda1_22_2.F ccsdtq_lambda1_2_2.F ccsdtq_lambda1_22.F ccsdtq_lambda1_23_1_1.F ccsdtq_lambda1_23_1_2.F ccsdtq_lambda1_23_1.F ccsdtq_lambda1_23_2_1.F ccsdtq_lambda1_23_2.F ccsdtq_lambda1_23_3_1_1.F ccsdtq_lambda1_23_3_1_2.F ccsdtq_lambda1_23_3_1.F ccsdtq_lambda1_23_3.F ccsdtq_lambda1_23_4_1_1.F ccsdtq_lambda1_23_4_1.F ccsdtq_lambda1_23_4.F ccsdtq_lambda1_2_3.F ccsdtq_lambda1_23.F ccsdtq_lambda1_2_4.F ccsdtq_lambda1_2.F ccsdtq_lambda1_3_2.F ccsdtq_lambda1_3_3_1.F ccsdtq_lambda1_3_3.F ccsdtq_lambda1_3.F ccsdtq_lambda1_4.F ccsdtq_lambda1_5_2_2_2.F ccsdtq_lambda1_5_2_2.F ccsdtq_lambda1_5_2_3.F ccsdtq_lambda1_5_2_4.F ccsdtq_lambda1_5_2.F ccsdtq_lambda1_5_3_2.F ccsdtq_lambda1_5_3.F ccsdtq_lambda1_5_4.F ccsdtq_lambda1_5_5_2.F ccsdtq_lambda1_5_5.F ccsdtq_lambda1_5_6_2.F ccsdtq_lambda1_5_6.F ccsdtq_lambda1_5_7.F ccsdtq_lambda1_5_8.F ccsdtq_lambda1_5.F ccsdtq_lambda1_6_2_2_2.F ccsdtq_lambda1_6_2_2.F ccsdtq_lambda1_6_2_3.F ccsdtq_lambda1_6_2.F ccsdtq_lambda1_6_3_2.F ccsdtq_lambda1_6_3.F ccsdtq_lambda1_6_4_2.F ccsdtq_lambda1_6_4.F ccsdtq_lambda1_6_5_2.F ccsdtq_lambda1_6_5.F ccsdtq_lambda1_6_6.F ccsdtq_lambda1_6_7.F ccsdtq_lambda1_6.F ccsdtq_lambda1_7_2.F ccsdtq_lambda1_7.F ccsdtq_lambda1_8_10_2.F ccsdtq_lambda1_8_10.F ccsdtq_lambda1_8_11.F ccsdtq_lambda1_8_12.F ccsdtq_lambda1_8_13_1.F ccsdtq_lambda1_8_13_2.F ccsdtq_lambda1_8_13_3.F ccsdtq_lambda1_8_13.F ccsdtq_lambda1_8_14_1.F ccsdtq_lambda1_8_14_2.F ccsdtq_lambda1_8_14_3.F ccsdtq_lambda1_8_14.F ccsdtq_lambda1_8_15_1.F ccsdtq_lambda1_8_15_2.F ccsdtq_lambda1_8_15.F ccsdtq_lambda1_8_2_2_2_2.F ccsdtq_lambda1_8_2_2_2.F ccsdtq_lambda1_8_2_2_3.F ccsdtq_lambda1_8_2_2.F ccsdtq_lambda1_8_2_3_2.F ccsdtq_lambda1_8_2_3.F ccsdtq_lambda1_8_2_4.F ccsdtq_lambda1_8_2_5_1.F ccsdtq_lambda1_8_2_5.F ccsdtq_lambda1_8_2.F ccsdtq_lambda1_8_3_2.F ccsdtq_lambda1_8_3.F ccsdtq_lambda1_8_4_2_1.F ccsdtq_lambda1_8_4_2.F ccsdtq_lambda1_8_4.F ccsdtq_lambda1_8_5_2_1.F ccsdtq_lambda1_8_5_2.F ccsdtq_lambda1_8_5.F ccsdtq_lambda1_8_6_2_2.F ccsdtq_lambda1_8_6_2.F ccsdtq_lambda1_8_6_3.F ccsdtq_lambda1_8_6.F ccsdtq_lambda1_8_7_2.F ccsdtq_lambda1_8_7_3.F ccsdtq_lambda1_8_7.F ccsdtq_lambda1_8_8.F ccsdtq_lambda1_8_9_2.F ccsdtq_lambda1_8_9.F ccsdtq_lambda1_8.F ccsdtq_lambda1_9_2.F ccsdtq_lambda1_9_3.F ccsdtq_lambda1_9_4.F ccsdtq_lambda1_9_5_1.F ccsdtq_lambda1_9_5_2.F ccsdtq_lambda1_9_5_3.F ccsdtq_lambda1_9_5_4.F ccsdtq_lambda1_9_5.F ccsdtq_lambda1_9_6_1.F ccsdtq_lambda1_9_6_2.F ccsdtq_lambda1_9_6_3.F ccsdtq_lambda1_9_6.F ccsdtq_lambda1_9_7_1.F ccsdtq_lambda1_9_7_2.F ccsdtq_lambda1_9_7.F ccsdtq_lambda1_9_8_1.F ccsdtq_lambda1_9_8.F ccsdtq_lambda1_9.F ccsdtq_lambda2_10_2_2_2.F ccsdtq_lambda2_10_2_2.F ccsdtq_lambda2_10_2_3.F ccsdtq_lambda2_10_2_4.F ccsdtq_lambda2_10_2.F ccsdtq_lambda2_10_3_2.F ccsdtq_lambda2_10_3_3.F ccsdtq_lambda2_10_3.F ccsdtq_lambda2_10_4.F ccsdtq_lambda2_10_5_2.F ccsdtq_lambda2_10_5.F ccsdtq_lambda2_10_6.F ccsdtq_lambda2_10_7.F ccsdtq_lambda2_10_8.F ccsdtq_lambda2_10.F ccsdtq_lambda2_11_2_2_2.F ccsdtq_lambda2_11_2_2.F ccsdtq_lambda2_11_2_3.F ccsdtq_lambda2_11_2.F ccsdtq_lambda2_11_3_2.F ccsdtq_lambda2_11_3.F ccsdtq_lambda2_11_4_2.F ccsdtq_lambda2_11_4.F ccsdtq_lambda2_11_5_2.F ccsdtq_lambda2_11_5.F ccsdtq_lambda2_11_6.F ccsdtq_lambda2_11_7.F ccsdtq_lambda2_11.F ccsdtq_lambda2_12_2.F ccsdtq_lambda2_12_3_2.F ccsdtq_lambda2_12_3.F ccsdtq_lambda2_12_4.F ccsdtq_lambda2_12_5.F ccsdtq_lambda2_12_6_1.F ccsdtq_lambda2_12_6.F ccsdtq_lambda2_12_7_1.F ccsdtq_lambda2_12_7.F ccsdtq_lambda2_12.F ccsdtq_lambda2_13_10_2.F ccsdtq_lambda2_13_10.F ccsdtq_lambda2_13_11.F ccsdtq_lambda2_13_12.F ccsdtq_lambda2_13_13_1.F ccsdtq_lambda2_13_13_2.F ccsdtq_lambda2_13_13_3.F ccsdtq_lambda2_13_13.F ccsdtq_lambda2_13_14_1.F ccsdtq_lambda2_13_14_2.F ccsdtq_lambda2_13_14_3.F ccsdtq_lambda2_13_14.F ccsdtq_lambda2_13_15_1.F ccsdtq_lambda2_13_15_2.F ccsdtq_lambda2_13_15.F ccsdtq_lambda2_13_2_2_2_2.F ccsdtq_lambda2_13_2_2_2.F ccsdtq_lambda2_13_2_2_3.F ccsdtq_lambda2_13_2_2.F ccsdtq_lambda2_13_2_3_2.F ccsdtq_lambda2_13_2_3.F ccsdtq_lambda2_13_2_4.F ccsdtq_lambda2_13_2_5_1.F ccsdtq_lambda2_13_2_5.F ccsdtq_lambda2_13_2.F ccsdtq_lambda2_13_3_2.F ccsdtq_lambda2_13_3.F ccsdtq_lambda2_13_4_2_1.F ccsdtq_lambda2_13_4_2.F ccsdtq_lambda2_13_4.F ccsdtq_lambda2_13_5_2_1.F ccsdtq_lambda2_13_5_2.F ccsdtq_lambda2_13_5.F ccsdtq_lambda2_13_6_2_2.F ccsdtq_lambda2_13_6_2.F ccsdtq_lambda2_13_6_3.F ccsdtq_lambda2_13_6.F ccsdtq_lambda2_13_7_2.F ccsdtq_lambda2_13_7_3.F ccsdtq_lambda2_13_7.F ccsdtq_lambda2_13_8.F ccsdtq_lambda2_13_9_2.F ccsdtq_lambda2_13_9.F ccsdtq_lambda2_13.F ccsdtq_lambda2_14_1.F ccsdtq_lambda2_14_2.F ccsdtq_lambda2_14_3.F ccsdtq_lambda2_14_4.F ccsdtq_lambda2_14.F ccsdtq_lambda2_15_1.F ccsdtq_lambda2_15_2.F ccsdtq_lambda2_15_3.F ccsdtq_lambda2_15.F ccsdtq_lambda2_16_1.F ccsdtq_lambda2_16_2.F ccsdtq_lambda2_16_3.F ccsdtq_lambda2_16.F ccsdtq_lambda2_17_1.F ccsdtq_lambda2_17_2.F ccsdtq_lambda2_17_3.F ccsdtq_lambda2_17.F ccsdtq_lambda2_18_1.F ccsdtq_lambda2_18_2.F ccsdtq_lambda2_18.F ccsdtq_lambda2_19_1.F ccsdtq_lambda2_19_2.F ccsdtq_lambda2_19_3.F ccsdtq_lambda2_19.F ccsdtq_lambda2_20_1.F ccsdtq_lambda2_20_2.F ccsdtq_lambda2_20_3.F ccsdtq_lambda2_20_4_1.F ccsdtq_lambda2_20_4.F ccsdtq_lambda2_20_5_1.F ccsdtq_lambda2_20_5_2.F ccsdtq_lambda2_20_5.F ccsdtq_lambda2_20_6_1.F ccsdtq_lambda2_20_6.F ccsdtq_lambda2_20.F ccsdtq_lambda2_21_1.F ccsdtq_lambda2_21_2.F ccsdtq_lambda2_21.F ccsdtq_lambda2_22_1.F ccsdtq_lambda2_22_2.F ccsdtq_lambda2_2_2.F ccsdtq_lambda2_22.F ccsdtq_lambda2_23_1_2.F ccsdtq_lambda2_23_1_3.F ccsdtq_lambda2_23_1.F ccsdtq_lambda2_23_2_2.F ccsdtq_lambda2_23_2_3.F ccsdtq_lambda2_23_2_4.F ccsdtq_lambda2_23_2.F ccsdtq_lambda2_23_3_2.F ccsdtq_lambda2_23_3.F ccsdtq_lambda2_23_4_2.F ccsdtq_lambda2_23_4.F ccsdtq_lambda2_23_5_2.F ccsdtq_lambda2_23_5.F ccsdtq_lambda2_23_6.F ccsdtq_lambda2_23_7_1_1.F ccsdtq_lambda2_23_7_1.F ccsdtq_lambda2_23_7.F ccsdtq_lambda2_23_8_1_1.F ccsdtq_lambda2_23_8_1.F ccsdtq_lambda2_23_8.F ccsdtq_lambda2_23.F ccsdtq_lambda2_24_1_2.F ccsdtq_lambda2_24_1.F ccsdtq_lambda2_24_2_2.F ccsdtq_lambda2_24_2.F ccsdtq_lambda2_24_3_2.F ccsdtq_lambda2_24_3.F ccsdtq_lambda2_24_4.F ccsdtq_lambda2_24.F ccsdtq_lambda2_25_1.F ccsdtq_lambda2_25.F ccsdtq_lambda2_26_1.F ccsdtq_lambda2_26_2.F ccsdtq_lambda2_26_3_1.F ccsdtq_lambda2_26_3_2.F ccsdtq_lambda2_26_3_3.F ccsdtq_lambda2_26_3.F ccsdtq_lambda2_26_4_1.F ccsdtq_lambda2_26_4_2.F ccsdtq_lambda2_26_4.F ccsdtq_lambda2_26_5_1.F ccsdtq_lambda2_26_5.F ccsdtq_lambda2_26.F ccsdtq_lambda2_27_1.F ccsdtq_lambda2_27.F ccsdtq_lambda2_28_1_1.F ccsdtq_lambda2_28_1.F ccsdtq_lambda2_28_2_1.F ccsdtq_lambda2_28_2.F ccsdtq_lambda2_28.F ccsdtq_lambda2_29_1_1.F ccsdtq_lambda2_29_1_2.F ccsdtq_lambda2_29_1.F ccsdtq_lambda2_29_2_1.F ccsdtq_lambda2_29_2.F ccsdtq_lambda2_29.F ccsdtq_lambda2_2.F ccsdtq_lambda2_30_1_1.F ccsdtq_lambda2_30_1_2.F ccsdtq_lambda2_30_1.F ccsdtq_lambda2_30_2_1.F ccsdtq_lambda2_30_2.F ccsdtq_lambda2_30_3_1_1.F ccsdtq_lambda2_30_3_1_2.F ccsdtq_lambda2_30_3_1.F ccsdtq_lambda2_30_3.F ccsdtq_lambda2_30_4_1_1.F ccsdtq_lambda2_30_4_1.F ccsdtq_lambda2_30_4.F ccsdtq_lambda2_30.F ccsdtq_lambda2_31_1_1.F ccsdtq_lambda2_31_1.F ccsdtq_lambda2_31_2_1.F ccsdtq_lambda2_31_2.F ccsdtq_lambda2_31.F ccsdtq_lambda2_3_2.F ccsdtq_lambda2_3.F ccsdtq_lambda2_4.F ccsdtq_lambda2_5_2_2.F ccsdtq_lambda2_5_2.F ccsdtq_lambda2_5_3.F ccsdtq_lambda2_5_4.F ccsdtq_lambda2_5.F ccsdtq_lambda2_6_2.F ccsdtq_lambda2_6_3.F ccsdtq_lambda2_6_4_1.F ccsdtq_lambda2_6_4.F ccsdtq_lambda2_6.F ccsdtq_lambda2_7_2_2.F ccsdtq_lambda2_7_2.F ccsdtq_lambda2_7_3.F ccsdtq_lambda2_7.F ccsdtq_lambda2_8_2.F ccsdtq_lambda2_8_3.F ccsdtq_lambda2_8.F ccsdtq_lambda2_9.F ccsdtq_lambda3_10_2_2_2.F ccsdtq_lambda3_10_2_2.F ccsdtq_lambda3_10_2_3.F ccsdtq_lambda3_10_2_4.F ccsdtq_lambda3_10_2.F ccsdtq_lambda3_10_3_2.F ccsdtq_lambda3_10_3_3.F ccsdtq_lambda3_10_3.F ccsdtq_lambda3_10_4.F ccsdtq_lambda3_10_5_2.F ccsdtq_lambda3_10_5.F ccsdtq_lambda3_10_6.F ccsdtq_lambda3_10_7.F ccsdtq_lambda3_10_8.F ccsdtq_lambda3_10.F ccsdtq_lambda3_11_2_2_2.F ccsdtq_lambda3_11_2_2.F ccsdtq_lambda3_11_2_3.F ccsdtq_lambda3_11_2.F ccsdtq_lambda3_11_3_2.F ccsdtq_lambda3_11_3.F ccsdtq_lambda3_11_4_2.F ccsdtq_lambda3_11_4.F ccsdtq_lambda3_11_5_2.F ccsdtq_lambda3_11_5.F ccsdtq_lambda3_11_6.F ccsdtq_lambda3_11_7.F ccsdtq_lambda3_11.F ccsdtq_lambda3_12_2.F ccsdtq_lambda3_12_3_2.F ccsdtq_lambda3_12_3.F ccsdtq_lambda3_12_4.F ccsdtq_lambda3_12_5.F ccsdtq_lambda3_12_6_1.F ccsdtq_lambda3_12_6.F ccsdtq_lambda3_12_7_1.F ccsdtq_lambda3_12_7.F ccsdtq_lambda3_12.F ccsdtq_lambda3_13_1.F ccsdtq_lambda3_13_2.F ccsdtq_lambda3_13_3.F ccsdtq_lambda3_13.F ccsdtq_lambda3_14_1.F ccsdtq_lambda3_14_2.F ccsdtq_lambda3_14.F ccsdtq_lambda3_15_1.F ccsdtq_lambda3_15_2.F ccsdtq_lambda3_15.F ccsdtq_lambda3_16_1.F ccsdtq_lambda3_16_2.F ccsdtq_lambda3_16.F ccsdtq_lambda3_17_1.F ccsdtq_lambda3_17.F ccsdtq_lambda3_18_1.F ccsdtq_lambda3_18_2.F ccsdtq_lambda3_18.F ccsdtq_lambda3_19_1.F ccsdtq_lambda3_19_2.F ccsdtq_lambda3_19_3_1.F ccsdtq_lambda3_19_3.F ccsdtq_lambda3_19_4_1.F ccsdtq_lambda3_19_4.F ccsdtq_lambda3_19.F ccsdtq_lambda3_1.F ccsdtq_lambda3_20_1.F ccsdtq_lambda3_20.F ccsdtq_lambda3_21_1.F ccsdtq_lambda3_21.F ccsdtq_lambda3_22_1.F ccsdtq_lambda3_2_2.F ccsdtq_lambda3_22.F ccsdtq_lambda3_23_1.F ccsdtq_lambda3_23.F ccsdtq_lambda3_24_1_1.F ccsdtq_lambda3_24_1.F ccsdtq_lambda3_24.F ccsdtq_lambda3_25_1_1.F ccsdtq_lambda3_25_1.F ccsdtq_lambda3_25.F ccsdtq_lambda3_26_1_1.F ccsdtq_lambda3_26_1.F ccsdtq_lambda3_26_2_1.F ccsdtq_lambda3_26_2.F ccsdtq_lambda3_26.F ccsdtq_lambda3_27_1_1.F ccsdtq_lambda3_27_1.F ccsdtq_lambda3_27_2_1_1.F ccsdtq_lambda3_27_2_1.F ccsdtq_lambda3_27_2.F ccsdtq_lambda3_27.F ccsdtq_lambda3_2.F ccsdtq_lambda3_3_2.F ccsdtq_lambda3_3.F ccsdtq_lambda3_4.F ccsdtq_lambda3_5_2_2.F ccsdtq_lambda3_5_2.F ccsdtq_lambda3_5_3.F ccsdtq_lambda3_5_4.F ccsdtq_lambda3_5.F ccsdtq_lambda3_6_2.F ccsdtq_lambda3_6_3.F ccsdtq_lambda3_6_4_1.F ccsdtq_lambda3_6_4.F ccsdtq_lambda3_6.F ccsdtq_lambda3_7_2_2.F ccsdtq_lambda3_7_2.F ccsdtq_lambda3_7_3.F ccsdtq_lambda3_7.F ccsdtq_lambda3_8_2.F ccsdtq_lambda3_8_3.F ccsdtq_lambda3_8_4_1.F ccsdtq_lambda3_8_4.F ccsdtq_lambda3_8.F ccsdtq_lambda3_9.F ccsdtq_lambda4.F converting ccsdtq_density1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_16_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_24.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_6_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_17_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_25.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_27.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_28_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_28_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_28_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_28_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_28.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_31_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_31_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_31_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_31_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_31.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_24.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_25.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_26.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_8_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda4.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' Making 64_to_32 in eomccsdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 eomccsdtq_denominator.F eomccsdtq_density1_1_1.F eomccsdtq_density1_1_2.F eomccsdtq_density1_1_3.F eomccsdtq_density1_1_4.F eomccsdtq_density1_1.F eomccsdtq_density1_2_1.F eomccsdtq_density1_2_2_1.F eomccsdtq_density1_2_2.F eomccsdtq_density1_2.F eomccsdtq_density1_3_1.F eomccsdtq_density1_3_2.F eomccsdtq_density1_3_3.F eomccsdtq_density1_3_4.F eomccsdtq_density1_3_5_1.F eomccsdtq_density1_3_5_2.F eomccsdtq_density1_3_5_3.F eomccsdtq_density1_3_5_4.F eomccsdtq_density1_3_5.F eomccsdtq_density1_3_6_1.F eomccsdtq_density1_3_6_2.F eomccsdtq_density1_3_6_3.F eomccsdtq_density1_3_6.F eomccsdtq_density1_3_7_1.F eomccsdtq_density1_3_7_2.F eomccsdtq_density1_3_7.F eomccsdtq_density1_3_8_1.F eomccsdtq_density1_3_8.F eomccsdtq_density1_3.F eomccsdtq_density1_4_1.F eomccsdtq_density1_4_2_1.F eomccsdtq_density1_4_2.F eomccsdtq_density1_4.F eomccsdtq_density1_5_10_1.F eomccsdtq_density1_5_10_2.F eomccsdtq_density1_5_10_3.F eomccsdtq_density1_5_10_4.F eomccsdtq_density1_5_10.F eomccsdtq_density1_5_11_1.F eomccsdtq_density1_5_11_2.F eomccsdtq_density1_5_11_3.F eomccsdtq_density1_5_11_4_1.F eomccsdtq_density1_5_11_4.F eomccsdtq_density1_5_11.F eomccsdtq_density1_5_12_1.F eomccsdtq_density1_5_12_2.F eomccsdtq_density1_5_12_3_1.F eomccsdtq_density1_5_12_3_2.F eomccsdtq_density1_5_12_3_3.F eomccsdtq_density1_5_12_3.F eomccsdtq_density1_5_12_4_1.F eomccsdtq_density1_5_12_4_2.F eomccsdtq_density1_5_12_4.F eomccsdtq_density1_5_12_5_1.F eomccsdtq_density1_5_12_5.F eomccsdtq_density1_5_12.F eomccsdtq_density1_5_13_1.F eomccsdtq_density1_5_13_2.F eomccsdtq_density1_5_13.F eomccsdtq_density1_5_14_1.F eomccsdtq_density1_5_14_2.F eomccsdtq_density1_5_14.F eomccsdtq_density1_5_15_1.F eomccsdtq_density1_5_15.F eomccsdtq_density1_5_16_1.F eomccsdtq_density1_5_16.F eomccsdtq_density1_5_17_1_1.F eomccsdtq_density1_5_17_1_2.F eomccsdtq_density1_5_17_1.F eomccsdtq_density1_5_17_2_1.F eomccsdtq_density1_5_17_2.F eomccsdtq_density1_5_17.F eomccsdtq_density1_5_1.F eomccsdtq_density1_5_2.F eomccsdtq_density1_5_3.F eomccsdtq_density1_5_4_1.F eomccsdtq_density1_5_4_2.F eomccsdtq_density1_5_4_3.F eomccsdtq_density1_5_4_4.F eomccsdtq_density1_5_4_5_1.F eomccsdtq_density1_5_4_5_2.F eomccsdtq_density1_5_4_5_3.F eomccsdtq_density1_5_4_5_4.F eomccsdtq_density1_5_4_5.F eomccsdtq_density1_5_4_6_1.F eomccsdtq_density1_5_4_6_2.F eomccsdtq_density1_5_4_6_3.F eomccsdtq_density1_5_4_6.F eomccsdtq_density1_5_4_7_1.F eomccsdtq_density1_5_4_7_2.F eomccsdtq_density1_5_4_7.F eomccsdtq_density1_5_4_8_1.F eomccsdtq_density1_5_4_8.F eomccsdtq_density1_5_4.F eomccsdtq_density1_5_5_1.F eomccsdtq_density1_5_5_2.F eomccsdtq_density1_5_5_3.F eomccsdtq_density1_5_5_4.F eomccsdtq_density1_5_5.F eomccsdtq_density1_5_6_1.F eomccsdtq_density1_5_6_2.F eomccsdtq_density1_5_6_3.F eomccsdtq_density1_5_6_4.F eomccsdtq_density1_5_6.F eomccsdtq_density1_5_7_1.F eomccsdtq_density1_5_7_2.F eomccsdtq_density1_5_7_3.F eomccsdtq_density1_5_7.F eomccsdtq_density1_5_8_1.F eomccsdtq_density1_5_8_2.F eomccsdtq_density1_5_8.F eomccsdtq_density1_5_9_1.F eomccsdtq_density1_5_9.F eomccsdtq_density1_5.F eomccsdtq_density1_6_1.F eomccsdtq_density1_6_2.F eomccsdtq_density1_6_3.F eomccsdtq_density1_6_4_1.F eomccsdtq_density1_6_4_2.F eomccsdtq_density1_6_4_3.F eomccsdtq_density1_6_4.F eomccsdtq_density1_6_5_1.F eomccsdtq_density1_6_5_2.F eomccsdtq_density1_6_5_3.F eomccsdtq_density1_6_5.F eomccsdtq_density1_6_6_1.F eomccsdtq_density1_6_6_2.F eomccsdtq_density1_6_6.F eomccsdtq_density1_6_7_1.F eomccsdtq_density1_6_7.F eomccsdtq_density1_6.F eomccsdtq_x1.F eomccsdtq_x2_10.F eomccsdtq_x2_11.F eomccsdtq_x2_12_10_1.F eomccsdtq_x2_12_10.F eomccsdtq_x2_12_1_2_2.F eomccsdtq_x2_12_1_2.F eomccsdtq_x2_12_1_3.F eomccsdtq_x2_12_1.F eomccsdtq_x2_1_2_2.F eomccsdtq_x2_12_2.F eomccsdtq_x2_12_3_2.F eomccsdtq_x2_12_3.F eomccsdtq_x2_12_4_2.F eomccsdtq_x2_12_4.F eomccsdtq_x2_12_5.F eomccsdtq_x2_12_6.F eomccsdtq_x2_12_7_1.F eomccsdtq_x2_12_7_2.F eomccsdtq_x2_12_7_3_1.F eomccsdtq_x2_12_7_3.F eomccsdtq_x2_12_7.F eomccsdtq_x2_12_8_1.F eomccsdtq_x2_12_8.F eomccsdtq_x2_12_9_1.F eomccsdtq_x2_12_9.F eomccsdtq_x2_1_2.F eomccsdtq_x2_12.F eomccsdtq_x2_13_1.F eomccsdtq_x2_1_3_2.F eomccsdtq_x2_1_3.F eomccsdtq_x2_13.F eomccsdtq_x2_14_1_2.F eomccsdtq_x2_14_1.F eomccsdtq_x2_1_4_2.F eomccsdtq_x2_14_2.F eomccsdtq_x2_14_3.F eomccsdtq_x2_14_4_1.F eomccsdtq_x2_14_4.F eomccsdtq_x2_1_4.F eomccsdtq_x2_14.F eomccsdtq_x2_15_1.F eomccsdtq_x2_15_2.F eomccsdtq_x2_15_3_1.F eomccsdtq_x2_15_3.F eomccsdtq_x2_1_5.F eomccsdtq_x2_15.F eomccsdtq_x2_16_1.F eomccsdtq_x2_16_2.F eomccsdtq_x2_1_6.F eomccsdtq_x2_16.F eomccsdtq_x2_17_1.F eomccsdtq_x2_17_2.F eomccsdtq_x2_17.F eomccsdtq_x2_18_1.F eomccsdtq_x2_18.F eomccsdtq_x2_19_1.F eomccsdtq_x2_19.F eomccsdtq_x2_1.F eomccsdtq_x2_2.F eomccsdtq_x2_3_2_2.F eomccsdtq_x2_3_2.F eomccsdtq_x2_3_3.F eomccsdtq_x2_3_4.F eomccsdtq_x2_3.F eomccsdtq_x2_4_2.F eomccsdtq_x2_4_3.F eomccsdtq_x2_4.F eomccsdtq_x2_5_2_2.F eomccsdtq_x2_5_2.F eomccsdtq_x2_5_3.F eomccsdtq_x2_5.F eomccsdtq_x2_6_2.F eomccsdtq_x2_6.F eomccsdtq_x2_7.F eomccsdtq_x2_8_2.F eomccsdtq_x2_8.F eomccsdtq_x2_9_2.F eomccsdtq_x2_9.F eomccsdtq_x3_10.F eomccsdtq_x3_11_10_1.F eomccsdtq_x3_11_10.F eomccsdtq_x3_11_1_2_2.F eomccsdtq_x3_11_1_2.F eomccsdtq_x3_11_1_3.F eomccsdtq_x3_11_1_4.F eomccsdtq_x3_11_1.F eomccsdtq_x3_11_2_2.F eomccsdtq_x3_11_2.F eomccsdtq_x3_11_3_2.F eomccsdtq_x3_11_3.F eomccsdtq_x3_11_4.F eomccsdtq_x3_11_5.F eomccsdtq_x3_11_6_1.F eomccsdtq_x3_11_6.F eomccsdtq_x3_11_7_1.F eomccsdtq_x3_11_7_2.F eomccsdtq_x3_11_7_3_1.F eomccsdtq_x3_11_7_3.F eomccsdtq_x3_11_7_4_1.F eomccsdtq_x3_11_7_4.F eomccsdtq_x3_11_7.F eomccsdtq_x3_11_8_1.F eomccsdtq_x3_11_8.F eomccsdtq_x3_11_9_1.F eomccsdtq_x3_11_9.F eomccsdtq_x3_11.F eomccsdtq_x3_12_10_1.F eomccsdtq_x3_12_10.F eomccsdtq_x3_12_1_2_2.F eomccsdtq_x3_12_1_2.F eomccsdtq_x3_12_1_3.F eomccsdtq_x3_12_1.F eomccsdtq_x3_1_2_2_2.F eomccsdtq_x3_1_2_2.F eomccsdtq_x3_12_2.F eomccsdtq_x3_12_3_2.F eomccsdtq_x3_1_2_3.F eomccsdtq_x3_12_3.F eomccsdtq_x3_12_4_2.F eomccsdtq_x3_12_4.F eomccsdtq_x3_12_5.F eomccsdtq_x3_12_6.F eomccsdtq_x3_12_7_1.F eomccsdtq_x3_12_7_2.F eomccsdtq_x3_12_7_3_1.F eomccsdtq_x3_12_7_3.F eomccsdtq_x3_12_7.F eomccsdtq_x3_12_8_1.F eomccsdtq_x3_12_8.F eomccsdtq_x3_12_9_1.F eomccsdtq_x3_12_9.F eomccsdtq_x3_1_2.F eomccsdtq_x3_12.F eomccsdtq_x3_13_1_2.F eomccsdtq_x3_13_1_3.F eomccsdtq_x3_13_1_4.F eomccsdtq_x3_13_1.F eomccsdtq_x3_13_2_2.F eomccsdtq_x3_1_3_2.F eomccsdtq_x3_13_2.F eomccsdtq_x3_13_3_2.F eomccsdtq_x3_13_3.F eomccsdtq_x3_13_4.F eomccsdtq_x3_13_5.F eomccsdtq_x3_1_3.F eomccsdtq_x3_13.F eomccsdtq_x3_14_1.F eomccsdtq_x3_14_2_2.F eomccsdtq_x3_1_4_2.F eomccsdtq_x3_14_2.F eomccsdtq_x3_14_3.F eomccsdtq_x3_14_4.F eomccsdtq_x3_14_5_1.F eomccsdtq_x3_14_5.F eomccsdtq_x3_1_4.F eomccsdtq_x3_14.F eomccsdtq_x3_15_1.F eomccsdtq_x3_1_5_2.F eomccsdtq_x3_1_5.F eomccsdtq_x3_15.F eomccsdtq_x3_16_1_2.F eomccsdtq_x3_16_1.F eomccsdtq_x3_16_2.F eomccsdtq_x3_16_3.F eomccsdtq_x3_16_4_1.F eomccsdtq_x3_16_4.F eomccsdtq_x3_1_6.F eomccsdtq_x3_16.F eomccsdtq_x3_17_1.F eomccsdtq_x3_17_2.F eomccsdtq_x3_17_3_1.F eomccsdtq_x3_17_3.F eomccsdtq_x3_1_7.F eomccsdtq_x3_17.F eomccsdtq_x3_18_1.F eomccsdtq_x3_18_2.F eomccsdtq_x3_18.F eomccsdtq_x3_19_1.F eomccsdtq_x3_19_2.F eomccsdtq_x3_19.F eomccsdtq_x3_1.F eomccsdtq_x3_20_1.F eomccsdtq_x3_20.F eomccsdtq_x3_21_1.F eomccsdtq_x3_21.F eomccsdtq_x3_22_1.F eomccsdtq_x3_2_2.F eomccsdtq_x3_22.F eomccsdtq_x3_2_3_2.F eomccsdtq_x3_2_3.F eomccsdtq_x3_2_4.F eomccsdtq_x3_2_5.F eomccsdtq_x3_2.F eomccsdtq_x3_3_2_2.F eomccsdtq_x3_3_2.F eomccsdtq_x3_3_3.F eomccsdtq_x3_3_4.F eomccsdtq_x3_3.F eomccsdtq_x3_4_2.F eomccsdtq_x3_4_3.F eomccsdtq_x3_4.F eomccsdtq_x3_5_2_2.F eomccsdtq_x3_5_2.F eomccsdtq_x3_5_3.F eomccsdtq_x3_5.F eomccsdtq_x3_6_2.F eomccsdtq_x3_6_3.F eomccsdtq_x3_6.F eomccsdtq_x3_7.F eomccsdtq_x3_8_2.F eomccsdtq_x3_8.F eomccsdtq_x3_9_2.F eomccsdtq_x3_9.F eomccsdtq_x4_10_1_2_2.F eomccsdtq_x4_10_1_2.F eomccsdtq_x4_10_1_3.F eomccsdtq_x4_10_1_4.F eomccsdtq_x4_10_1.F eomccsdtq_x4_10_2_2.F eomccsdtq_x4_10_2.F eomccsdtq_x4_10_3_2.F eomccsdtq_x4_10_3.F eomccsdtq_x4_10_4_2.F eomccsdtq_x4_10_4.F eomccsdtq_x4_10_5.F eomccsdtq_x4_10.F eomccsdtq_x4_11_1_2.F eomccsdtq_x4_11_1.F eomccsdtq_x4_11_2_2.F 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eomccsdtq_y3_12_2.F eomccsdtq_y3_12_3_2.F eomccsdtq_y3_12_3.F eomccsdtq_y3_12_4.F eomccsdtq_y3_12_5.F eomccsdtq_y3_12_6_1.F eomccsdtq_y3_12_6.F eomccsdtq_y3_12_7_1.F eomccsdtq_y3_12_7.F eomccsdtq_y3_12.F eomccsdtq_y3_13_1.F eomccsdtq_y3_13_2.F eomccsdtq_y3_13_3.F eomccsdtq_y3_13.F eomccsdtq_y3_14_1.F eomccsdtq_y3_14_2.F eomccsdtq_y3_14.F eomccsdtq_y3_15_1.F eomccsdtq_y3_15_2.F eomccsdtq_y3_15.F eomccsdtq_y3_16_1.F eomccsdtq_y3_16_2.F eomccsdtq_y3_16.F eomccsdtq_y3_17_1.F eomccsdtq_y3_17.F eomccsdtq_y3_18_1.F eomccsdtq_y3_18_2.F eomccsdtq_y3_18.F eomccsdtq_y3_19_1.F eomccsdtq_y3_19_2.F eomccsdtq_y3_19_3_1.F eomccsdtq_y3_19_3.F eomccsdtq_y3_19_4_1.F eomccsdtq_y3_19_4.F eomccsdtq_y3_19.F eomccsdtq_y3_1.F eomccsdtq_y3_20_1.F eomccsdtq_y3_20.F eomccsdtq_y3_21_1.F eomccsdtq_y3_21.F eomccsdtq_y3_22_1.F eomccsdtq_y3_2_2.F eomccsdtq_y3_22.F eomccsdtq_y3_23_1.F eomccsdtq_y3_23.F eomccsdtq_y3_24_1_1.F eomccsdtq_y3_24_1.F eomccsdtq_y3_24.F eomccsdtq_y3_25_1_1.F eomccsdtq_y3_25_1.F eomccsdtq_y3_25.F eomccsdtq_y3_26_1_1.F eomccsdtq_y3_26_1.F eomccsdtq_y3_26_2_1.F eomccsdtq_y3_26_2.F eomccsdtq_y3_26.F eomccsdtq_y3_27_1_1.F eomccsdtq_y3_27_1.F eomccsdtq_y3_27_2_1_1.F eomccsdtq_y3_27_2_1.F eomccsdtq_y3_27_2.F eomccsdtq_y3_27.F eomccsdtq_y3_2.F eomccsdtq_y3_3_2.F eomccsdtq_y3_3.F eomccsdtq_y3_4.F eomccsdtq_y3_5_2_2.F eomccsdtq_y3_5_2.F eomccsdtq_y3_5_3.F eomccsdtq_y3_5_4.F eomccsdtq_y3_5.F eomccsdtq_y3_6_2.F eomccsdtq_y3_6_3.F eomccsdtq_y3_6_4_1.F eomccsdtq_y3_6_4.F eomccsdtq_y3_6.F eomccsdtq_y3_7_2_2.F eomccsdtq_y3_7_2.F eomccsdtq_y3_7_3.F eomccsdtq_y3_7.F eomccsdtq_y3_8_2.F eomccsdtq_y3_8_3.F eomccsdtq_y3_8_4_1.F eomccsdtq_y3_8_4.F eomccsdtq_y3_8.F eomccsdtq_y3_9.F eomccsdtq_y4_10_1.F eomccsdtq_y4_10_2.F eomccsdtq_y4_10.F eomccsdtq_y4_11_1.F eomccsdtq_y4_11.F eomccsdtq_y4_12_1.F eomccsdtq_y4_12.F eomccsdtq_y4_13_1.F eomccsdtq_y4_13.F eomccsdtq_y4_14_1.F eomccsdtq_y4_14.F eomccsdtq_y4_15_1.F eomccsdtq_y4_15_2_1.F eomccsdtq_y4_15_2.F eomccsdtq_y4_15.F eomccsdtq_y4_1.F eomccsdtq_y4_2_2.F eomccsdtq_y4_2.F eomccsdtq_y4_3_2.F eomccsdtq_y4_3.F eomccsdtq_y4_4.F eomccsdtq_y4_5_2_2.F eomccsdtq_y4_5_2.F eomccsdtq_y4_5_3.F eomccsdtq_y4_5_4.F eomccsdtq_y4_5.F eomccsdtq_y4_6_2.F eomccsdtq_y4_6_3.F eomccsdtq_y4_6_4_1.F eomccsdtq_y4_6_4.F eomccsdtq_y4_6.F eomccsdtq_y4_7_2_2.F eomccsdtq_y4_7_2.F eomccsdtq_y4_7_3.F eomccsdtq_y4_7.F eomccsdtq_y4_8_2.F eomccsdtq_y4_8_3.F eomccsdtq_y4_8_4_1.F eomccsdtq_y4_8_4.F eomccsdtq_y4_8.F eomccsdtq_y4_9.F converting eomccsdtq_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_10_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_7_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_15_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_15_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_17_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_3_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_7_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_17_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_17_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_17_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_18_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_19_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_3_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_7_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_5_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_16_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_16_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_21_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_21_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_21_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_22_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_23_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_23_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_23.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_24_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_24.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_6_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_8_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_10_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_12_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_12_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_13_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_7_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_18_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_3_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_16_2_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_16_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_18_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_19_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_20_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_21_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_22_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_23_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_23_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_23.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_24_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_24_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_24.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_3_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_6_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_8_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_3_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_3_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_4_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_2_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_5_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_6_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_8_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_9_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_9_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_5_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_6_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_13_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_15_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_16_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_17_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_18_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_18_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_20_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_21_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_7_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_8_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_24_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_24.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_26_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_26.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_27_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_27_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_27_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_27_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_27.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_3_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_3_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_4_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_30_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_30_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_30_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_30_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_30.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_4_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_6_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_18_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_23_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_23.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_24_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_24_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_24.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_25_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_25_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_25.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_26_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_26_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_26_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_26_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_26.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27_2_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_7_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_8_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_8_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_15_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_7_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_8_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_8_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_9.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' Making 64_to_32 in ccsdtq_alpha_offdiag make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdtq_lr_alpha_10_1_1.F ccsdtq_lr_alpha_10_1.F ccsdtq_lr_alpha_10_2_1.F ccsdtq_lr_alpha_10_2_2.F ccsdtq_lr_alpha_10_2.F ccsdtq_lr_alpha_10_3_1.F ccsdtq_lr_alpha_10_3.F ccsdtq_lr_alpha_10_4_1.F ccsdtq_lr_alpha_10_4.F ccsdtq_lr_alpha_10_5_1.F ccsdtq_lr_alpha_10_5_2.F ccsdtq_lr_alpha_10_5.F ccsdtq_lr_alpha_10_6_1.F ccsdtq_lr_alpha_10_6.F ccsdtq_lr_alpha_10.F ccsdtq_lr_alpha_1_10_1.F ccsdtq_lr_alpha_1_10_2.F ccsdtq_lr_alpha_1_10_3.F ccsdtq_lr_alpha_1_10.F ccsdtq_lr_alpha_1_11_1.F ccsdtq_lr_alpha_11_1_1.F ccsdtq_lr_alpha_1_11_2.F ccsdtq_lr_alpha_11_1_2.F ccsdtq_lr_alpha_11_1_3.F ccsdtq_lr_alpha_1_11.F ccsdtq_lr_alpha_11_1.F ccsdtq_lr_alpha_1_12_1.F ccsdtq_lr_alpha_11_2_1.F ccsdtq_lr_alpha_11_2_2.F ccsdtq_lr_alpha_11_2_3.F ccsdtq_lr_alpha_1_12.F ccsdtq_lr_alpha_11_2.F ccsdtq_lr_alpha_11_3_1.F ccsdtq_lr_alpha_11_3_2.F ccsdtq_lr_alpha_11_3.F ccsdtq_lr_alpha_11_4_1.F ccsdtq_lr_alpha_11_4.F ccsdtq_lr_alpha_11_5_1.F ccsdtq_lr_alpha_11_5_2.F ccsdtq_lr_alpha_11_5.F ccsdtq_lr_alpha_11_6_1.F ccsdtq_lr_alpha_11_6.F ccsdtq_lr_alpha_1_1.F ccsdtq_lr_alpha_11.F ccsdtq_lr_alpha_12_10_1.F ccsdtq_lr_alpha_12_10_2_1.F ccsdtq_lr_alpha_12_10_2.F ccsdtq_lr_alpha_12_10_3_1.F ccsdtq_lr_alpha_12_10_3.F ccsdtq_lr_alpha_12_10_4_1.F ccsdtq_lr_alpha_12_10_4.F ccsdtq_lr_alpha_12_10_5_1.F ccsdtq_lr_alpha_12_10_5.F ccsdtq_lr_alpha_12_10_6_1.F ccsdtq_lr_alpha_12_10_6.F ccsdtq_lr_alpha_12_10_7_1.F ccsdtq_lr_alpha_12_10_7.F ccsdtq_lr_alpha_12_10.F ccsdtq_lr_alpha_12_11_1.F ccsdtq_lr_alpha_12_11_2.F ccsdtq_lr_alpha_12_1_1.F ccsdtq_lr_alpha_12_11.F ccsdtq_lr_alpha_12_12_1.F ccsdtq_lr_alpha_12_12.F ccsdtq_lr_alpha_12_13_1.F ccsdtq_lr_alpha_12_13.F ccsdtq_lr_alpha_12_14_1.F ccsdtq_lr_alpha_12_14.F ccsdtq_lr_alpha_12_15_1_1.F ccsdtq_lr_alpha_12_15_1.F ccsdtq_lr_alpha_12_15_2_1.F ccsdtq_lr_alpha_12_15_2.F ccsdtq_lr_alpha_12_15_3_1.F ccsdtq_lr_alpha_12_15_3.F ccsdtq_lr_alpha_12_15_4_1.F ccsdtq_lr_alpha_12_15_4.F ccsdtq_lr_alpha_12_15_5_1.F ccsdtq_lr_alpha_12_15_5.F ccsdtq_lr_alpha_12_15_6_1.F ccsdtq_lr_alpha_12_15_6.F ccsdtq_lr_alpha_12_15.F ccsdtq_lr_alpha_12_16_1_1.F ccsdtq_lr_alpha_12_16_1.F ccsdtq_lr_alpha_12_16_2_1.F ccsdtq_lr_alpha_12_16_2.F ccsdtq_lr_alpha_12_16.F ccsdtq_lr_alpha_12_17_1_1.F ccsdtq_lr_alpha_12_17_1.F ccsdtq_lr_alpha_12_17_2_1.F ccsdtq_lr_alpha_12_17_2.F ccsdtq_lr_alpha_12_17.F ccsdtq_lr_alpha_12_18_1_1.F ccsdtq_lr_alpha_12_18_1.F ccsdtq_lr_alpha_12_18_2_1.F ccsdtq_lr_alpha_12_18_2.F ccsdtq_lr_alpha_12_18.F ccsdtq_lr_alpha_12_1.F ccsdtq_lr_alpha_12_2_1.F ccsdtq_lr_alpha_12_2_2.F ccsdtq_lr_alpha_12_2.F ccsdtq_lr_alpha_12_3_1.F ccsdtq_lr_alpha_12_3_2_1.F ccsdtq_lr_alpha_12_3_2.F ccsdtq_lr_alpha_12_3_3_1.F ccsdtq_lr_alpha_12_3_3.F ccsdtq_lr_alpha_12_3_4_1.F ccsdtq_lr_alpha_12_3_4.F ccsdtq_lr_alpha_12_3_5_1.F ccsdtq_lr_alpha_12_3_5.F ccsdtq_lr_alpha_12_3_6_1.F ccsdtq_lr_alpha_12_3_6.F ccsdtq_lr_alpha_12_3_7_1.F ccsdtq_lr_alpha_12_3_7.F ccsdtq_lr_alpha_12_3.F ccsdtq_lr_alpha_12_4_1.F ccsdtq_lr_alpha_12_4_2.F ccsdtq_lr_alpha_12_4.F ccsdtq_lr_alpha_12_5_1.F ccsdtq_lr_alpha_12_5.F ccsdtq_lr_alpha_12_6_1.F ccsdtq_lr_alpha_12_6.F ccsdtq_lr_alpha_12_7_1.F ccsdtq_lr_alpha_12_7.F ccsdtq_lr_alpha_12_8_1.F ccsdtq_lr_alpha_12_8.F ccsdtq_lr_alpha_12_9_1.F ccsdtq_lr_alpha_12_9_2.F ccsdtq_lr_alpha_12_9.F ccsdtq_lr_alpha_1_2.F ccsdtq_lr_alpha_12.F ccsdtq_lr_alpha_13_10_1.F ccsdtq_lr_alpha_13_10.F ccsdtq_lr_alpha_13_11_1.F ccsdtq_lr_alpha_13_11_2.F ccsdtq_lr_alpha_13_11_3.F ccsdtq_lr_alpha_13_1_1.F ccsdtq_lr_alpha_13_11.F ccsdtq_lr_alpha_13_12_1.F ccsdtq_lr_alpha_13_12_2.F ccsdtq_lr_alpha_13_1_2.F ccsdtq_lr_alpha_13_12.F ccsdtq_lr_alpha_13_13_1.F ccsdtq_lr_alpha_13_1_3.F ccsdtq_lr_alpha_13_13.F ccsdtq_lr_alpha_13_1_4_1.F ccsdtq_lr_alpha_13_14_1.F ccsdtq_lr_alpha_13_14_2.F ccsdtq_lr_alpha_13_1_4.F ccsdtq_lr_alpha_13_14.F ccsdtq_lr_alpha_13_1_5_1.F ccsdtq_lr_alpha_13_15_1.F ccsdtq_lr_alpha_13_1_5_2.F ccsdtq_lr_alpha_13_15_2.F ccsdtq_lr_alpha_13_1_5_3.F ccsdtq_lr_alpha_13_1_5.F ccsdtq_lr_alpha_13_15.F ccsdtq_lr_alpha_13_1_6_1.F ccsdtq_lr_alpha_13_16_1.F ccsdtq_lr_alpha_13_1_6.F ccsdtq_lr_alpha_13_16.F ccsdtq_lr_alpha_13_17_1_1.F ccsdtq_lr_alpha_13_1_7_1.F ccsdtq_lr_alpha_13_17_1.F ccsdtq_lr_alpha_13_17_2_1.F ccsdtq_lr_alpha_13_1_7_2.F ccsdtq_lr_alpha_13_17_2.F ccsdtq_lr_alpha_13_17_3_1.F ccsdtq_lr_alpha_13_1_7_3.F ccsdtq_lr_alpha_13_17_3.F ccsdtq_lr_alpha_13_17_4_1.F ccsdtq_lr_alpha_13_17_4.F ccsdtq_lr_alpha_13_1_7.F ccsdtq_lr_alpha_13_17.F ccsdtq_lr_alpha_13_18_1_1.F ccsdtq_lr_alpha_13_18_1.F ccsdtq_lr_alpha_13_18_2_1.F ccsdtq_lr_alpha_13_18_2.F ccsdtq_lr_alpha_13_18_3_1.F ccsdtq_lr_alpha_13_18_3_2.F ccsdtq_lr_alpha_13_18_3_3.F ccsdtq_lr_alpha_13_18_3.F ccsdtq_lr_alpha_13_18_4_1.F ccsdtq_lr_alpha_13_18_4_2.F ccsdtq_lr_alpha_13_18_4_3.F ccsdtq_lr_alpha_13_18_4.F ccsdtq_lr_alpha_13_18.F ccsdtq_lr_alpha_13_19_1_1.F ccsdtq_lr_alpha_13_19_1.F ccsdtq_lr_alpha_13_19_2_1.F ccsdtq_lr_alpha_13_19_2.F ccsdtq_lr_alpha_13_19.F ccsdtq_lr_alpha_13_1.F ccsdtq_lr_alpha_13_20_1_1.F ccsdtq_lr_alpha_13_20_1.F ccsdtq_lr_alpha_13_20_2_1.F ccsdtq_lr_alpha_13_20_2.F ccsdtq_lr_alpha_13_20.F ccsdtq_lr_alpha_13_21_1_1.F ccsdtq_lr_alpha_13_21_1.F ccsdtq_lr_alpha_13_21_2_1.F ccsdtq_lr_alpha_13_21_2.F ccsdtq_lr_alpha_13_21_3_1.F ccsdtq_lr_alpha_13_21_3.F ccsdtq_lr_alpha_13_21_4_1.F ccsdtq_lr_alpha_13_21_4.F ccsdtq_lr_alpha_13_2_1.F ccsdtq_lr_alpha_13_21.F ccsdtq_lr_alpha_13_22_1_1.F ccsdtq_lr_alpha_13_22_1.F ccsdtq_lr_alpha_13_22_2_1.F ccsdtq_lr_alpha_13_22_2.F ccsdtq_lr_alpha_13_22_3_1.F ccsdtq_lr_alpha_13_22_3.F ccsdtq_lr_alpha_13_22_4_1.F ccsdtq_lr_alpha_13_22_4.F ccsdtq_lr_alpha_13_22.F ccsdtq_lr_alpha_13_23_1_1.F ccsdtq_lr_alpha_13_23_1.F ccsdtq_lr_alpha_13_23_2_1.F ccsdtq_lr_alpha_13_23_2.F ccsdtq_lr_alpha_13_23.F ccsdtq_lr_alpha_13_2.F ccsdtq_lr_alpha_13_3_1.F ccsdtq_lr_alpha_13_3_2.F ccsdtq_lr_alpha_13_3_3.F ccsdtq_lr_alpha_13_3.F ccsdtq_lr_alpha_13_4_1.F ccsdtq_lr_alpha_13_4_2.F ccsdtq_lr_alpha_13_4.F ccsdtq_lr_alpha_13_5_1.F ccsdtq_lr_alpha_13_5.F ccsdtq_lr_alpha_13_6_1.F ccsdtq_lr_alpha_13_6_2.F ccsdtq_lr_alpha_13_6.F ccsdtq_lr_alpha_13_7_1.F ccsdtq_lr_alpha_13_7_2.F ccsdtq_lr_alpha_13_7.F ccsdtq_lr_alpha_13_8_1.F ccsdtq_lr_alpha_13_8.F ccsdtq_lr_alpha_13_9_1.F ccsdtq_lr_alpha_13_9_2.F ccsdtq_lr_alpha_13_9_3.F ccsdtq_lr_alpha_13_9_4_1.F ccsdtq_lr_alpha_13_9_4_2.F ccsdtq_lr_alpha_13_9_4_3.F ccsdtq_lr_alpha_13_9_4.F ccsdtq_lr_alpha_13_9_5_1.F ccsdtq_lr_alpha_13_9_5_2.F 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ccsdtq_lr_alpha_15_52_5_5_3.F ccsdtq_lr_alpha_15_52_5_5.F ccsdtq_lr_alpha_15_52_5_6_1.F ccsdtq_lr_alpha_15_52_5_6.F ccsdtq_lr_alpha_15_52_5_7_1.F ccsdtq_lr_alpha_15_52_5_7_2.F ccsdtq_lr_alpha_15_52_5_7.F ccsdtq_lr_alpha_15_52_5.F ccsdtq_lr_alpha_15_52_6_1.F ccsdtq_lr_alpha_15_52_6.F ccsdtq_lr_alpha_15_52_7_1.F ccsdtq_lr_alpha_15_52_7.F ccsdtq_lr_alpha_15_52_8_1.F ccsdtq_lr_alpha_15_52_8.F ccsdtq_lr_alpha_15_52_9_1_1.F ccsdtq_lr_alpha_15_52_9_1.F ccsdtq_lr_alpha_15_52_9_2_1.F ccsdtq_lr_alpha_15_52_9_2_2.F ccsdtq_lr_alpha_15_52_9_2_3.F ccsdtq_lr_alpha_15_52_9_2.F ccsdtq_lr_alpha_15_52_9_3_1.F ccsdtq_lr_alpha_15_52_9_3.F ccsdtq_lr_alpha_15_52_9_4_1.F ccsdtq_lr_alpha_15_52_9_4_2.F ccsdtq_lr_alpha_15_52_9_4_3.F ccsdtq_lr_alpha_15_52_9_4.F ccsdtq_lr_alpha_15_52_9.F ccsdtq_lr_alpha_15_5_2.F ccsdtq_lr_alpha_15_52.F ccsdtq_lr_alpha_15_53_1_1.F ccsdtq_lr_alpha_15_53_1.F ccsdtq_lr_alpha_15_53_2_1.F ccsdtq_lr_alpha_15_53_2.F ccsdtq_lr_alpha_15_5_3.F ccsdtq_lr_alpha_15_53.F ccsdtq_lr_alpha_15_54_1_1.F ccsdtq_lr_alpha_15_5_4_1.F ccsdtq_lr_alpha_15_54_1.F ccsdtq_lr_alpha_15_54_2_1.F ccsdtq_lr_alpha_15_5_4_2.F ccsdtq_lr_alpha_15_54_2.F ccsdtq_lr_alpha_15_54_3_1_1.F ccsdtq_lr_alpha_15_54_3_1.F ccsdtq_lr_alpha_15_54_3.F ccsdtq_lr_alpha_15_54_4_1_1.F ccsdtq_lr_alpha_15_54_4_1.F ccsdtq_lr_alpha_15_54_4_2_1.F ccsdtq_lr_alpha_15_54_4_2.F ccsdtq_lr_alpha_15_54_4.F ccsdtq_lr_alpha_15_5_4.F ccsdtq_lr_alpha_15_54.F ccsdtq_lr_alpha_15_55_1_1.F ccsdtq_lr_alpha_15_5_5_1.F ccsdtq_lr_alpha_15_55_1.F ccsdtq_lr_alpha_15_55_2_1.F ccsdtq_lr_alpha_15_5_5_2.F ccsdtq_lr_alpha_15_55_2.F ccsdtq_lr_alpha_15_5_5.F ccsdtq_lr_alpha_15_55.F ccsdtq_lr_alpha_15_5_6_1.F ccsdtq_lr_alpha_15_5_6.F ccsdtq_lr_alpha_15_5_7_1.F ccsdtq_lr_alpha_15_5_7.F ccsdtq_lr_alpha_15_5.F ccsdtq_lr_alpha_15_6_1.F ccsdtq_lr_alpha_15_6.F ccsdtq_lr_alpha_15_7_1.F ccsdtq_lr_alpha_15_7_2.F ccsdtq_lr_alpha_15_7_3.F ccsdtq_lr_alpha_15_7_4_1.F ccsdtq_lr_alpha_15_7_4_2.F ccsdtq_lr_alpha_15_7_4.F ccsdtq_lr_alpha_15_7_5_1.F ccsdtq_lr_alpha_15_7_5.F ccsdtq_lr_alpha_15_7_6_1.F ccsdtq_lr_alpha_15_7_6.F ccsdtq_lr_alpha_15_7_7_1.F ccsdtq_lr_alpha_15_7_7_2.F ccsdtq_lr_alpha_15_7_7.F ccsdtq_lr_alpha_15_7.F ccsdtq_lr_alpha_15_8_1.F ccsdtq_lr_alpha_15_8_2.F ccsdtq_lr_alpha_15_8_3_1.F ccsdtq_lr_alpha_15_8_3.F ccsdtq_lr_alpha_15_8_4_1.F ccsdtq_lr_alpha_15_8_4.F ccsdtq_lr_alpha_15_8.F ccsdtq_lr_alpha_15_9_1.F ccsdtq_lr_alpha_15_9_2.F ccsdtq_lr_alpha_15_9.F ccsdtq_lr_alpha_1_5.F ccsdtq_lr_alpha_15.F ccsdtq_lr_alpha_16_10_1.F ccsdtq_lr_alpha_16_10_2.F ccsdtq_lr_alpha_16_10.F ccsdtq_lr_alpha_16_11_1.F ccsdtq_lr_alpha_16_1_1.F ccsdtq_lr_alpha_16_11.F ccsdtq_lr_alpha_16_12_1.F ccsdtq_lr_alpha_16_12_2.F ccsdtq_lr_alpha_16_1_2.F ccsdtq_lr_alpha_16_12.F ccsdtq_lr_alpha_16_1_3_1.F ccsdtq_lr_alpha_16_13_1.F ccsdtq_lr_alpha_16_13_2.F ccsdtq_lr_alpha_16_1_3.F ccsdtq_lr_alpha_16_13.F ccsdtq_lr_alpha_16_1_4_1.F ccsdtq_lr_alpha_16_14_1.F ccsdtq_lr_alpha_16_1_4.F ccsdtq_lr_alpha_16_14.F ccsdtq_lr_alpha_16_15_1_1.F ccsdtq_lr_alpha_16_15_1_2.F ccsdtq_lr_alpha_16_15_1.F ccsdtq_lr_alpha_16_15_2_1.F ccsdtq_lr_alpha_16_15_2.F ccsdtq_lr_alpha_16_15_3_1.F ccsdtq_lr_alpha_16_15_3.F ccsdtq_lr_alpha_16_15_4_1.F ccsdtq_lr_alpha_16_15_4_2.F ccsdtq_lr_alpha_16_15_4.F ccsdtq_lr_alpha_16_15_5_1.F ccsdtq_lr_alpha_16_15_5.F ccsdtq_lr_alpha_16_15_6_1.F ccsdtq_lr_alpha_16_15_6.F ccsdtq_lr_alpha_16_15.F ccsdtq_lr_alpha_16_16_1_1.F ccsdtq_lr_alpha_16_16_1.F ccsdtq_lr_alpha_16_16_2_1.F ccsdtq_lr_alpha_16_16_2.F ccsdtq_lr_alpha_16_16.F ccsdtq_lr_alpha_16_17_1_1.F ccsdtq_lr_alpha_16_17_1.F ccsdtq_lr_alpha_16_17_2_1.F ccsdtq_lr_alpha_16_17_2.F ccsdtq_lr_alpha_16_17.F ccsdtq_lr_alpha_16_18_1_1.F ccsdtq_lr_alpha_16_18_1_2.F ccsdtq_lr_alpha_16_18_1.F ccsdtq_lr_alpha_16_18_2_1.F ccsdtq_lr_alpha_16_18_2.F ccsdtq_lr_alpha_16_18_3_1.F ccsdtq_lr_alpha_16_18_3.F ccsdtq_lr_alpha_16_18_4_1.F ccsdtq_lr_alpha_16_18_4_2.F ccsdtq_lr_alpha_16_18_4.F ccsdtq_lr_alpha_16_18_5_1.F ccsdtq_lr_alpha_16_18_5.F ccsdtq_lr_alpha_16_18_6_1.F ccsdtq_lr_alpha_16_18_6.F ccsdtq_lr_alpha_16_18.F ccsdtq_lr_alpha_16_19_1_1.F ccsdtq_lr_alpha_16_19_1.F ccsdtq_lr_alpha_16_19_2_1.F ccsdtq_lr_alpha_16_19_2.F ccsdtq_lr_alpha_16_19.F ccsdtq_lr_alpha_1_6_1.F ccsdtq_lr_alpha_16_1.F ccsdtq_lr_alpha_16_20_1_1.F ccsdtq_lr_alpha_16_20_1_2.F ccsdtq_lr_alpha_16_20_1.F ccsdtq_lr_alpha_16_20_2_1.F ccsdtq_lr_alpha_16_20_2.F ccsdtq_lr_alpha_16_20_3_1.F ccsdtq_lr_alpha_16_20_3.F ccsdtq_lr_alpha_16_20_4_1.F ccsdtq_lr_alpha_16_20_4_2.F ccsdtq_lr_alpha_16_20_4.F ccsdtq_lr_alpha_16_20_5_1.F ccsdtq_lr_alpha_16_20_5.F ccsdtq_lr_alpha_16_20_6_1.F ccsdtq_lr_alpha_16_20_6.F ccsdtq_lr_alpha_16_20.F ccsdtq_lr_alpha_16_21_1_1.F ccsdtq_lr_alpha_16_21_1.F ccsdtq_lr_alpha_16_21_2_1.F ccsdtq_lr_alpha_16_21_2.F ccsdtq_lr_alpha_16_2_1.F ccsdtq_lr_alpha_16_21.F ccsdtq_lr_alpha_16_2_2.F ccsdtq_lr_alpha_1_6_2.F ccsdtq_lr_alpha_16_2.F ccsdtq_lr_alpha_16_3_1.F ccsdtq_lr_alpha_16_3_2.F ccsdtq_lr_alpha_1_6_3.F ccsdtq_lr_alpha_16_3.F ccsdtq_lr_alpha_16_4_1.F ccsdtq_lr_alpha_1_6_4.F ccsdtq_lr_alpha_16_4.F ccsdtq_lr_alpha_16_5_1.F ccsdtq_lr_alpha_16_5_2.F ccsdtq_lr_alpha_16_5.F ccsdtq_lr_alpha_16_6_1.F ccsdtq_lr_alpha_16_6_2.F ccsdtq_lr_alpha_16_6.F ccsdtq_lr_alpha_16_7_1.F ccsdtq_lr_alpha_16_7.F ccsdtq_lr_alpha_16_8_1.F ccsdtq_lr_alpha_16_8_2.F ccsdtq_lr_alpha_16_8_3_1.F ccsdtq_lr_alpha_16_8_3.F ccsdtq_lr_alpha_16_8_4_1.F ccsdtq_lr_alpha_16_8_4.F ccsdtq_lr_alpha_16_8.F ccsdtq_lr_alpha_16_9_1.F ccsdtq_lr_alpha_16_9_2.F ccsdtq_lr_alpha_16_9.F ccsdtq_lr_alpha_1_6.F ccsdtq_lr_alpha_16.F ccsdtq_lr_alpha_1_7_1.F ccsdtq_lr_alpha_17_1.F ccsdtq_lr_alpha_1_7_2.F ccsdtq_lr_alpha_1_7_3.F ccsdtq_lr_alpha_1_7.F ccsdtq_lr_alpha_17.F ccsdtq_lr_alpha_1_8_1.F ccsdtq_lr_alpha_1_8_2.F ccsdtq_lr_alpha_1_8.F ccsdtq_lr_alpha_1_9_1.F ccsdtq_lr_alpha_1_9.F ccsdtq_lr_alpha_1.F ccsdtq_lr_alpha_2_1.F ccsdtq_lr_alpha_2_2.F ccsdtq_lr_alpha_2_3.F ccsdtq_lr_alpha_2_4.F ccsdtq_lr_alpha_2.F ccsdtq_lr_alpha_3_1_1.F ccsdtq_lr_alpha_3_1_2.F ccsdtq_lr_alpha_3_1.F ccsdtq_lr_alpha_3_2_1.F ccsdtq_lr_alpha_3_2_2.F ccsdtq_lr_alpha_3_2.F ccsdtq_lr_alpha_3_3_1.F ccsdtq_lr_alpha_3_3_2.F ccsdtq_lr_alpha_3_3_3_1.F ccsdtq_lr_alpha_3_3_3.F ccsdtq_lr_alpha_3_3_4_1.F ccsdtq_lr_alpha_3_3_4.F ccsdtq_lr_alpha_3_3.F ccsdtq_lr_alpha_3_4_1.F ccsdtq_lr_alpha_3_4.F ccsdtq_lr_alpha_3_5_1.F ccsdtq_lr_alpha_3_5_2.F ccsdtq_lr_alpha_3_5_3_1.F ccsdtq_lr_alpha_3_5_3.F ccsdtq_lr_alpha_3_5_4_1.F ccsdtq_lr_alpha_3_5_4.F ccsdtq_lr_alpha_3_5.F ccsdtq_lr_alpha_3_6_1.F ccsdtq_lr_alpha_3_6.F ccsdtq_lr_alpha_3_7_1.F ccsdtq_lr_alpha_3_7.F ccsdtq_lr_alpha_3_8_1.F ccsdtq_lr_alpha_3_8.F ccsdtq_lr_alpha_3_9_1_1.F ccsdtq_lr_alpha_3_9_1.F ccsdtq_lr_alpha_3_9_2_1.F ccsdtq_lr_alpha_3_9_2.F ccsdtq_lr_alpha_3_9.F ccsdtq_lr_alpha_3.F ccsdtq_lr_alpha_4_1.F ccsdtq_lr_alpha_4_2.F ccsdtq_lr_alpha_4_3.F ccsdtq_lr_alpha_4.F ccsdtq_lr_alpha_5_10_1.F ccsdtq_lr_alpha_5_10_2.F ccsdtq_lr_alpha_5_10_3.F ccsdtq_lr_alpha_5_10.F ccsdtq_lr_alpha_5_11_1.F ccsdtq_lr_alpha_5_11_2.F ccsdtq_lr_alpha_5_11.F ccsdtq_lr_alpha_5_12_1.F ccsdtq_lr_alpha_5_12.F ccsdtq_lr_alpha_5_1.F ccsdtq_lr_alpha_5_2.F ccsdtq_lr_alpha_5_3.F ccsdtq_lr_alpha_5_4.F ccsdtq_lr_alpha_5_5_1.F ccsdtq_lr_alpha_5_5_2.F ccsdtq_lr_alpha_5_5_3.F ccsdtq_lr_alpha_5_5_4.F ccsdtq_lr_alpha_5_5.F ccsdtq_lr_alpha_5_6_1.F ccsdtq_lr_alpha_5_6_2.F ccsdtq_lr_alpha_5_6_3.F ccsdtq_lr_alpha_5_6_4.F ccsdtq_lr_alpha_5_6.F ccsdtq_lr_alpha_5_7_1.F ccsdtq_lr_alpha_5_7_2.F ccsdtq_lr_alpha_5_7_3.F ccsdtq_lr_alpha_5_7.F ccsdtq_lr_alpha_5_8_1.F ccsdtq_lr_alpha_5_8_2.F ccsdtq_lr_alpha_5_8.F ccsdtq_lr_alpha_5_9_1.F ccsdtq_lr_alpha_5_9.F ccsdtq_lr_alpha_5.F ccsdtq_lr_alpha_6_1.F ccsdtq_lr_alpha_6_2.F ccsdtq_lr_alpha_6_3.F ccsdtq_lr_alpha_6_4.F ccsdtq_lr_alpha_6.F ccsdtq_lr_alpha_7_1.F ccsdtq_lr_alpha_7_2.F ccsdtq_lr_alpha_7_3.F ccsdtq_lr_alpha_7.F ccsdtq_lr_alpha_8_1.F ccsdtq_lr_alpha_8.F ccsdtq_lr_alpha_9_1_1.F ccsdtq_lr_alpha_9_1_2.F ccsdtq_lr_alpha_9_1_3.F ccsdtq_lr_alpha_9_1_4.F ccsdtq_lr_alpha_9_1.F ccsdtq_lr_alpha_9_2_1.F ccsdtq_lr_alpha_9_2_2.F ccsdtq_lr_alpha_9_2_3.F ccsdtq_lr_alpha_9_2_4.F ccsdtq_lr_alpha_9_2.F ccsdtq_lr_alpha_9_3_1.F ccsdtq_lr_alpha_9_3_2.F ccsdtq_lr_alpha_9_3_3.F ccsdtq_lr_alpha_9_3.F ccsdtq_lr_alpha_9_4_1.F ccsdtq_lr_alpha_9_4_2.F ccsdtq_lr_alpha_9_4.F ccsdtq_lr_alpha_9_5_1.F ccsdtq_lr_alpha_9_5.F ccsdtq_lr_alpha_9_6_1.F ccsdtq_lr_alpha_9_6_2.F ccsdtq_lr_alpha_9_6_3.F ccsdtq_lr_alpha_9_6.F ccsdtq_lr_alpha_9_7_1.F ccsdtq_lr_alpha_9_7_2.F ccsdtq_lr_alpha_9_7.F ccsdtq_lr_alpha_9_8_1.F ccsdtq_lr_alpha_9_8.F ccsdtq_lr_alpha_9.F ccsdtq_lr_alpha.F converting ccsdtq_lr_alpha_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_25_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_25.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_26.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_28_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_28.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_29_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_29.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_33_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_33_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_33_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_33_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_33.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_35_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_35_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_35_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_35_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_35.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_40_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_40_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_40_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_40_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_40.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_41_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_41_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_41_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_41_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_41.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_47_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_47_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_47_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_47_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_47.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_53_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_53_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_53_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_53_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_53.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_55_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_55_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_55_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_55_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_55.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' Making 64_to_32 in response make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mm_input.F mm_bond.F mm_bond_coords.F mm_data.F mm_geom.F mm_link.F mm_vdw.F mm_vdw_coords.F converting mm_input.F to 32-bit integers for BLAS/LAPACK converting mm_bond.F to 32-bit integers for BLAS/LAPACK converting mm_bond_coords.F to 32-bit integers for BLAS/LAPACK converting mm_data.F to 32-bit integers for BLAS/LAPACK converting mm_geom.F to 32-bit integers for BLAS/LAPACK converting mm_link.F to 32-bit integers for BLAS/LAPACK converting mm_vdw.F to 32-bit integers for BLAS/LAPACK converting mm_vdw_coords.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 gibbs.F converting gibbs.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../basis -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 qmr_real.F dimqm_main.F CubicSpline.F dim_elfcon.F dim_elfder.F dim_tabcd.F qmr_complex.F qmr_seed_complex.F qmr_seed_real.F seeded_qmr_complex.F seeded_qmr_real.F seeded_qmr_real_augment.F converting qmr_real.F to 32-bit integers for BLAS/LAPACK converting dimqm_main.F to 32-bit integers for BLAS/LAPACK converting CubicSpline.F to 32-bit integers for BLAS/LAPACK converting dim_elfcon.F to 32-bit integers for BLAS/LAPACK converting dim_elfder.F to 32-bit integers for BLAS/LAPACK converting dim_tabcd.F to 32-bit integers for BLAS/LAPACK converting qmr_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_complex.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real_augment.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 gw_init.F gw_vxc.F gw_ri_init.F gw_invdiag.F ga_chol_inv_seq.F gw_tools.F gw_minres.F cs_minres_qlp.F gw_cdgw.F gw_cdgw_buildiw.F gw_cdgw_buildrn_minres.F gw_cdgw_buildpi.F gw_cdgw_buildrn_graph.F gw_analytic.F gw_analytic_rpa.F converting gw_init.F to 32-bit integers for BLAS/LAPACK converting gw_vxc.F to 32-bit integers for BLAS/LAPACK converting gw_ri_init.F to 32-bit integers for BLAS/LAPACK converting gw_invdiag.F to 32-bit integers for BLAS/LAPACK converting ga_chol_inv_seq.F to 32-bit integers for BLAS/LAPACK converting gw_tools.F to 32-bit integers for BLAS/LAPACK converting gw_minres.F to 32-bit integers for BLAS/LAPACK converting cs_minres_qlp.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildiw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_minres.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildpi.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_graph.F to 32-bit integers for BLAS/LAPACK converting gw_analytic.F to 32-bit integers for BLAS/LAPACK converting gw_analytic_rpa.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' No blas conversion done here make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' touch 64_to_32 ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 ./util/util_nwchem_version.bash /usr/bin/which: no git in (/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin) Making libraries in include make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ echo Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/$dir ; \ (cd /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/$dir; /usr/bin/make include_stamp) ; \ done Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' Nothing to be done make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p geom.fh geomP.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p inp.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p pstat.fh pstat_consts.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in hdbm make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p hdbm.h /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p sym.fh ../NWints/auxil/spcartP.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in md5 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p checksum.h /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh util_maxlength.fh util_intsize.fh vtune.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p dist.fh yflop.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p bq.fh bq_params.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in simint make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in module make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Making include_stamp in source make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making include_stamp in api make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Making include_stamp in int make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p sh_order.fh case.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Making include_stamp in auxil make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p spcartP.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Making include_stamp in ints_sp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Making include_stamp in deriv make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p ../int/sh_order.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Making include_stamp in texas make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p screened_op.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Making include_stamp in ecp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p ecp_nwc.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Making include_stamp in hondo make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Making include_stamp in rel make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p rel_consts.fh rel_nwc.fh zora.fh modelpotential.fh x2c.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Making include_stamp in dk make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in fast make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p moints_stats.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./include -I./grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in include make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' Making include_stamp in input_dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Making include_stamp in scf_dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p dftps.fh dft_fdist.fh dft_conv.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Making include_stamp in scf_dft_cg make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Making include_stamp in so_dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Making include_stamp in coulomb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Making include_stamp in xc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /usr/lib64/openmpi/include/ga-wapi.h: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cat: /usr/lib64/openmpi/include/ga-wapi.h: No such file or directory cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' Making include_stamp in util make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Making include_stamp in grid make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Making include_stamp in dftgrad make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Making include_stamp in lr_tddft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Making include_stamp in lr_tddft_grad make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Making include_stamp in zora make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Making include_stamp in spec make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Making include_stamp in rt_tddft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in matutils make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p matutils.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Making include_stamp in rtutils make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Making include_stamp in input make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Making include_stamp in init make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Making include_stamp in canorg make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Making include_stamp in propagators make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Making include_stamp in closedshell make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Making include_stamp in openshell make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Making include_stamp in libxc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib64/gfortran/modules -I. -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p libxc.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' Making include_stamp in x2c make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I../grid -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' cp -p ../ddscf/cosmo.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in deloc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Making include_stamp in mepgs make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Making include_stamp in tropt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Making include_stamp in neb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Making include_stamp in string make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in detci make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in analytic make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in dft make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' cp -p hess_info.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p prop.fh atomdata.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh cosmo_params.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies USE_OPENMP undefined USE_OPENMP undefined Making include_stamp in nwpwlib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in Parallel make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p stupid_mpi4.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Making include_stamp in D1dB make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Making include_stamp in D3dB make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Making include_stamp in Pneb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Making include_stamp in K1dB make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Making include_stamp in C1dB make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Making include_stamp in C3dB make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Making include_stamp in DMatrix make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Making include_stamp in CMatrix make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Making include_stamp in TMatrix make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Making include_stamp in control make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Making include_stamp in lattice make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Making include_stamp in io make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Making include_stamp in ion make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in shake make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' cp -p ../../nwpwlib/utilities/beom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making include_stamp in pseudopotential make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in paw_atom make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in utilities make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in paw_utilities make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' cp -p bafdecls.fh btdb.fh beom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making include_stamp in unitcell make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Making include_stamp in brillouin_zone make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Making include_stamp in fractional make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p frac_occ.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Making include_stamp in linesearch make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Making include_stamp in timing make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Making include_stamp in ewald make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Making include_stamp in thermostats make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Making include_stamp in MetaDynamics make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Making include_stamp in TAMD make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Making include_stamp in FMM make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Making include_stamp in md_xs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in FEFF6L make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making include_stamp in nwpwxc make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p nwpwxc.fh nwpwxc_param.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making include_stamp in libraryps make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Making include_stamp in pspw make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in lib make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in psi make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Making include_stamp in electron make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Making include_stamp in ke make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Making include_stamp in coulomb make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Making include_stamp in exchange-correlation make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in vdw-DF make[6]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making include_stamp in sic make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Making include_stamp in hfx make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Making include_stamp in ion make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Making include_stamp in psp make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Making include_stamp in Grsm_list make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Making include_stamp in aorbs make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Making include_stamp in truncating_function make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making include_stamp in kbpp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Making include_stamp in makepsi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Making include_stamp in cpsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Making include_stamp in cgsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Making include_stamp in analysis make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in APC make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making include_stamp in cell_optimize make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Making include_stamp in qmmm make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in pspw_LJ make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Making include_stamp in pspw_Q make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Making include_stamp in pspw_Pair make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Making include_stamp in mmq make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making include_stamp in charge make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Making include_stamp in dplot make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Making include_stamp in lcao make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Making include_stamp in paw make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in paw_geometry make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_geom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' Making include_stamp in paw_ma make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_ma.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Making include_stamp in paw_utils make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Making include_stamp in paw_basis make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_basis.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Making include_stamp in paw_proj make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_proj.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Making include_stamp in paw_matrix make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_comp_charge_matrix.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Making include_stamp in paw_ovlp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_ovlp_data.fh paw_ovlp.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Making include_stamp in paw_comp_charge make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_comp_charge_data.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Making include_stamp in paw_special_functions make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Making include_stamp in paw_gaunt make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_gaunt.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Making include_stamp in paw_kinetic make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Making include_stamp in paw_vloc make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_energy_vloc_atom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Making include_stamp in paw_ion_potential make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_energy_ion_atom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Making include_stamp in paw_core make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_energy_core_atom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Making include_stamp in paw_hartree make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_energy_hartree_atom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Making include_stamp in paw_comp_pot make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Making include_stamp in paw_mult make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_mult_data.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Making include_stamp in paw_nonlocal make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Making include_stamp in paw_density make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Making include_stamp in paw_xc make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_xc.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Making include_stamp in paw_force make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p paw_force_data.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Making include_stamp in paw_Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Making include_stamp in paw_psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Making include_stamp in cpsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Making include_stamp in cgsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Making include_stamp in cell_optimize make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Making include_stamp in band make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in minimizer make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Making include_stamp in structure make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Making include_stamp in cpsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Making include_stamp in cell_optimize make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Making include_stamp in kbpp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Making include_stamp in makepsi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Making include_stamp in lib make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in cpsp make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Making include_stamp in ke make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Making include_stamp in coulomb make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Making include_stamp in electron make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Making include_stamp in psi make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Making include_stamp in hfx make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Making include_stamp in Grsm_list make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Making include_stamp in borbs make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making include_stamp in dplot make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Making include_stamp in analysis make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in APC make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making include_stamp in ofpw make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in minimizer make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Making include_stamp in cpsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Making include_stamp in lib make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in chi make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Making include_stamp in electron make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Making include_stamp in ke make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Making include_stamp in WGC make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in pfft1.0 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Making include_stamp in fftpack make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Making include_stamp in pfft make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making include_stamp in pfftwrap make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/python3.11 -I/usr/include/python3.11 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p nwmd_constants.fh md_common.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p ../util/util_params.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' /bin/sh: line 1: bc: command not found /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies /bin/sh: line 1: bc: command not found Making include_stamp in include make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' Making include_stamp in diis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Making include_stamp in diis2 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Making include_stamp in gradients make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Making include_stamp in ccsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Making include_stamp in ccsd_lambda make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Making include_stamp in eomccsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Making include_stamp in ccsd_t make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Making include_stamp in cr-eomccsd_t make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Making include_stamp in lrh make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Making include_stamp in emb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Making include_stamp in ccd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Making include_stamp in lccd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Making include_stamp in lccsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Making include_stamp in qcisd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Making include_stamp in cc3 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Making include_stamp in mbpt1 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Making include_stamp in mbpt2 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Making include_stamp in mbpt3 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Making include_stamp in mbpt4 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Making include_stamp in cis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Making include_stamp in cisd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Making include_stamp in cisdt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Making include_stamp in cisdtq make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Making include_stamp in ccsd_act make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Making include_stamp in eomccsd_act make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Making include_stamp in cr_eomccsd_t_act make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Making include_stamp in sort make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Making include_stamp in ducc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' Making include_stamp in ucc4 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Making include_stamp in eaccsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' Making include_stamp in ipccsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' Making include_stamp in ccsdt_alpha_offdiag make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' Making include_stamp in ccsdt_alpha_new make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' Making include_stamp in ccsdt_yr make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' Making include_stamp in ccsdt_beta make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' Making include_stamp in ccsdt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Making include_stamp in ccsdt_lambda make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Making include_stamp in eomccsdt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Making include_stamp in ccsd_alpha make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Making include_stamp in ccsd_beta make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Making include_stamp in ccsd_yr make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Making include_stamp in response make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' Making include_stamp in ccsdtq make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' Making include_stamp in ccsdtq_lambda make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' Making include_stamp in eomccsdtq make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' Making include_stamp in ccsdtq_alpha_offdiag make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' Making include_stamp in response make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: 'include_stamp' is up to date. make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[2]: 'include_stamp' is up to date. make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p mm.fh mm_params.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[2]: 'include_stamp' is up to date. make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: 'include_stamp' is up to date. make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../basis -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p dimqm.fh dimqm_constants.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./ -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies cp -p ../nwdft/include/cdft.fh ../nwdft/grid/cgridfile.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' Making libraries in basis make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' Compiling basis.F... basis.F:2081:62: 2057 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2081 | status = status .and. rtdb_put(rtdb,tmp,mt_dbl,nexcf,excfin(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). basis.F:1125:39: 1125 | & rtdb, tmp, mt_dbl, nexcf, dbl_mb(mb_exndcf(1,basis))) | 1 ...... 2722 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling bas_input.F... Compiling bas_contrib.F... Compiling bas_checksum.F... bas_checksum.F:45:43: 44 | call checksum_update(ltob, bas_spherical(basis)) | 2 45 | call checksum_update(itob*ndbs_head, infbs_head(1,basis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling basisP.F... Compiling bas_blas.F... Compiling bas_blasP.F... Compiling bas_vec_info.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' Making libraries in geom make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Compiling geom.F... geom.F:1105:11: 1101 | s = s .and. rtdb_put(rtdb, tmp, mt_int, 1, ncenter(geom)) | 2 ...... 1105 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:602:11: 357 | if (rtdb_get(rtdb, 'geometry:ngeom', mt_int, 1, ngeom_rtdb)) | 2 ...... 602 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:2406:30: 2406 | geom_isbq = inp_compare(0,tag,'bq') | 1 ...... 3409 | if (inp_compare(.false.,buf(1:4),elements(ind)(1:4))) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling geom_input.F... geom_input.F:361:57: 249 | if (.not. rtdb_put(rtdb, 'prop:ofinite',mt_log,1,ofinite)) | 2 ...... 361 | if (.not.rtdb_put(rtdb,'geom:istart',MT_INT,1,istart)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). geom_input.F:746:11: 706 | if (rtdb_get(rtdb, 'qcharge', MT_DBL, 1, qcharge)) then | 2 ...... 746 | D dont_verifygeom)) dont_verifygeom=.false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling geom_input2.F... Compiling geom_3d.F... Compiling geom_2d.F... Compiling geom_1d.F... Compiling geom_numcore.F... geom_numcore.F:106:51: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 106 | if(rtdb_get(rtdb, key, mt_int, num_elem, tagfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geom_numcore.F:111:54: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 111 | if(rtdb_get(rtdb, key, mt_int, num_elem, numfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling geom_checksum.F... Compiling geom_print_ecce.F... Compiling geom_freeze.F... geom_freeze.F:54:49: 50 | if (rtdb_get(rtdb, a_name , MT_LOG, 1, status)) then | 2 ...... 54 | else if (rtdb_get(rtdb, c_name, MT_INT, 1, ncore)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling geom_fragment.F... Compiling geom_getsym.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Compiling geom_hnd.F... geom_hnd.F:4628:12: 4627 | 120 DO 260 NR=1,N2 | 2 4628 | IK=IA(NR+1)+NR | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) geom_hnd.F:5062:40: 5062 | 20 if (parallel) call ga_brdcst(323, status, | 1 ...... 5141 | if (parallel) call ga_brdcst(32, a, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Making libraries in inp make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Compiling c_inp.c... Compiling hnd_rdfree.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Compiling inp.F... inp.F:27:19: 27 | data xback /'\\'/ ! Backslash ... note backslash for cpp | 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) inp.F:1370:37: 1369 | do i = 1, 3*max_width+80+6 | 2 1370 | csave(i,save_level) = cdata(i) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1373:37: 1372 | do i = 1, 9+4*max_field | 2 1373 | isave(i,save_level) = idata(i) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) inp.F:1407:15: 1406 | do i = 1, 3*max_width+80+6 | 2 1407 | cdata(i) = csave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1410:15: 1409 | do i = 1, 9+4*max_field | 2 1410 | idata(i) = isave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) Compiling inp_irange.F... Compiling inp_ilist.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Making libraries in input make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' Compiling input_parse.F... Compiling input_mem.F... input_mem.F:66:33: 63 | call brdcst(Msg_HeapMem, heap_size, mitob1, 0) | 2 ...... 66 | call brdcst(Msg_StkMem, overify, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling memory_input.F... Compiling input_set.F... input_set.F:173:12: 170 | $ int_mb(i_values)) | 2 ...... 173 | $ dbl_mb(i_values)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling input_title.F... Compiling get_inp_file.F... Compiling memory_def.F... Compiling speech_input.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' Making libraries in pstat make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' Compiling pstat_init.F... Compiling pstat_term.F... Compiling pstat_alloc.F... Compiling pstat_on.F... Compiling pstat_off.F... Compiling pstat_pr_all.F... Compiling pstat_free.F... Compiling pstat_pr_han.F... Compiling pstat_pr_det.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' Making libraries in rtdb make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Compiling rtdb_f2c.c... Compiling rtdb.c... rtdb.c: In function 'rtdb_broadcast': rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] 91 | Integer type = msg_type; | ^~~~ rtdb.c: At top level: rtdb.c:179:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 179 | char* fname) | ~~~~~~^~~~~ In file included from rtdb.c:4: rtdb.h:145:38: note: previously declared as an array 'char[36]' 145 | extern int rtdb_getfname(const int, char [36]); | ^~~~~~~~~ Compiling rtdb_seq.c... rtdb_seq.c: In function 'ma_print': rtdb_seq.c:137:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 137 | nprint += fprintf(file, "%d ", ((Integer *) p)[i]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld rtdb_seq.c: At top level: rtdb_seq.c:1192:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 1192 | char* fname) | ~~~~~~^~~~~ In file included from rtdb_seq.c:42: rtdb.h:166:42: note: previously declared as an array 'char[36]' 166 | extern int rtdb_seq_getfname(const int, char [36]); | ^~~~~~~~~ Compiling context.c... context.c:135:13: warning: 'context_print' defined but not used [-Wunused-function] 135 | static void context_print() | ^~~~~~~~~~~~~ Compiling context_f2c.c... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Making all in hdbm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' Compiling hdbm.c... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a hdbm.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Making libraries in task make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' Compiling task_energy.F... task_energy.F:284:59: 281 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 284 | if (.not.rtdb_get(rtdb,'dft:which_mp2',mt_int,1,which_mp2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_energy.F:68:57: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_energy.F:151:57: 151 | if (.not. rtdb_put(rtdb, 'task:energy', mt_dbl, 1, energy)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:160:58: 160 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:163:59: 163 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling task_gradient.F... task_gradient.F:560:50: 320 | $ numerical)) numerical = .false. | 2 ...... 560 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_gradient.F:66:57: 66 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 567 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl,3,dipole(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_optimize.F... task_optimize.F:160:63: 123 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 160 | if (.not. rtdb_put(rtdb,'driver:modsad',mt_int, 1, 0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling task_freq.F... task_freq.F:131:58: 63 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_hessian.F... task_hessian.F:246:53: 180 | if (.not. rtdb_get(rtdb,'bsse',mt_log,1,task_bsse)) | 2 ...... 246 | if (.not.rtdb_get(rtdb,'xtb:verb',mt_int,1,verb)) verb=1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_hessian.F:247:53: 184 | if (.not. rtdb_put(rtdb,'bsse',mt_log,1,.false.)) | 2 ...... 247 | if (.not.rtdb_put(rtdb,'xtb:verb',mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling task_dynamics.F... task_dynamics.F:94:61: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 94 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_thermo.F... task_thermo.F:80:61: 59 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 80 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_et.F... task_et.F:46:57: 40 | if (.not. rtdb_put(rtdb, 'task:et', mt_dbl, 1, Vba)) | 2 ...... 46 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, status)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_save_state.F... Compiling task.F... task.F:180:50: 180 | if (rtdb_get(rtdb, 'task:debug', mt_log, 1, odebug)) | 1 ...... 582 | if (.not.rtdb_get(rtdb,'task:shell range',mt_int,3,range)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling task_input.F... Compiling task_shell_input.F... Compiling task_num_grad.F... task_num_grad.F:285:52: 185 | if (.not.rtdb_get(rtdb,'gradient:usegroups',MT_LOG,1,use_groups)) | 2 ...... 285 | if (.not. rtdb_get(rtdb, ename, mt_dbl, 1, eref)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_num_grad.F:506:58: 467 | if (.not. rtdb_put(rtdb, gname, mt_dbl, natoms3, dbl_mb(k_grad))) | 2 ...... 506 | if (.not. rtdb_put(rtdb,'scf:converged',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_vscf.F... task_vscf.F:98:52: 72 | if (.not. rtdb_get(rtdb,'vscf:freq_done',mt_log,1,freq_done)) | 2 ...... 98 | if (.not. rtdb_get(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_vscf.F:156:58: 58 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 156 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_property.F... Compiling task_dntmc.F... task_dntmc.F:77:61: 61 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 77 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_bsse.F... task_bsse.F:452:51: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 452 | if (.not. rtdb_put(rtdb,'charge',mt_dbl,1,charge)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). task_bsse.F:587:49: 424 | if (.not. rtdb_get(rtdb,'bsse:first_j',mt_log,1,first_j)) | 2 ...... 587 | if (.not.rtdb_get( rtdb, ctmp, mt_int, 1, natoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_bsse.F:550:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 550 | if (.not. rtdb_put( rtdb, ctmp, mt_int, nmon, mon_atm )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_bsse.F:554:62: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 554 | if (.not. rtdb_put( rtdb, ctmp, mt_int,mx_atm*mx_atm, mon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) task_bsse.F:562:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 562 | if (.not. rtdb_put( rtdb, ctmp, mt_int ,nmon, mmon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling task_jefftce.F... Compiling task_ncc.F... Compiling task_rfcf.F... task_rfcf.F:117:61: 80 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 117 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_gwmol.F... task_gwmol.F:82:53: 74 | if (rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 82 | if (.not.rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_gwmol.F:131:58: 41 | if (.not. rtdb_put( rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cputime)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o task_gwmol.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' Making libraries in symmetry make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Compiling dosymops.F... Compiling gensym.f... Compiling gensym_extra.F... gensym_extra.F:59:10: 59 | if (lgth.gt.0) then | ^ Warning: 'lgth' is used uninitialized [-Wuninitialized] gensym_extra.F:32:22: 32 | integer iop,lgth,unitf,print_level,i,j | ^ note: 'lgth' was declared here Compiling sym_vec_sym.F... Compiling ludcmp.F... Compiling mprint.f... Compiling opprint.f... Compiling sym_put_geom.F... Compiling spgen.F... Compiling sym_map.F... Compiling sym_nwc.F... Compiling sym_apply_op.F... Compiling sym_get_cart.F... Compiling sym_grp_name.F... Compiling sym_ap_cart.F... Compiling sym_cent_map.F... Compiling sym_num_ops.F... Compiling sym_ops_get.F... Compiling sym_op_get.F... Compiling sym_pr_all.F... Compiling sym_geom_prj.F... Compiling cross_prod.F... Compiling sym_op_cname.F... Compiling sym_pr_ops.F... Compiling deter3.F... Compiling sym_op_clsfy.F... Compiling sym_tr_bs_op.F... Compiling sym_bs_irrep.F... Compiling sym_op_type.F... Compiling sym_char_tab.F... Compiling sym_pr_ctab.F... Compiling sym_inv_op.F... Compiling sym_mo_adapt.F... sym_mo_adapt.F:324:30: 323 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 324 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_g_sym.F... Compiling wrcell.F... Compiling dctr.f... Compiling sym_irrepname.F... Compiling sym_abelian.F... Compiling sym_mol.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Compiling sym_sym.F... Compiling sym_mo_ap_op.F... Compiling sym_bas_op.F... Compiling sym_bs_ir_id.F... Compiling sym_sh_pair.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_op_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Making libraries in util make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Compiling output.f... Compiling errquit.F... Compiling ffflush.F... Compiling print_center.F... Compiling util_flush.F... Compiling util_sgroup.F... util_sgroup.F:168:54: 166 | if(.not.rtdb_put(rtdb,'dft:largenode',mt_log,1,.true.)) | 2 167 | & call errquit('util_sggo: rtdb_put nodisk failed',1,RTDB_ERR) 168 | if (.not. rtdb_put(rtdb, 'dft:noio', mt_int, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling util_host.c... Compiling util_date.c... Compiling input_echo.F... Compiling util_transpose.F... Compiling ga_iter_diag.F... Compiling ga_maxelt.F... Compiling nga_idamax.F... Compiling ga_pcg_min.F... Compiling line_search.F... Compiling ga_orth_vec.F... Compiling ga_ran_fill.F... ga_ran_fill.F:40:53: 35 | call ga_put(g_a, ibot, itop, j, j, buf, bufsiz) | 2 ...... 40 | call ga_put(g_a, ibot, itop, j, j, zbuf, bufsiz) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling ga_mix.F... Compiling ga_list.F... Compiling ga_it_proj.F... Compiling ga_screen.F... Compiling ga_get_diag.F... Compiling fortchar.c... fortchar.c: In function 'fcrcv_': fortchar.c:125:47: warning: array subscript 256 is above array bounds of 'char[256]' [-Warray-bounds] 125 | } while ( clength == lenbuf && cstring[clength] != '\0'); | ~~~~~~~^~~~~~~~~ fortchar.c:106:10: note: while referencing 'cstring' 106 | char cstring[FC_MAXLEN]; | ^~~~~~~ Compiling seq_output.F... Compiling ga_mat2col.F... Compiling util_ch_brd.F... util_ch_brd.F:35:42: 31 | call ga_brdcst(type, ls, mitob1, origin) | 2 ...... 35 | if (ls .gt. 0) call ga_brdcst(type, c, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling two_ind_trn.F... Compiling util_pname.F... Compiling sread.F... Compiling swrite.F... swrite.F:17:62: 17 | if (left.ne.0) call errquit('swrite: left .ne. 0',left, DISK_ERR) | 1 ...... 25 | 20 call errquit('sswrit: error writing to unit ', itape, DISK_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). Compiling banner.f... Compiling util_print.F... Compiling util_module_avail.F... cp util_v_stub.F util_version.F Compiling util_version.F... Compiling util_nwchem_version.F... ./util_ga_version.bash Compiling util_ga_version.F... Compiling util_nwchem_paper.F... Compiling util_nwchem_srcdir.F... Compiling utilc_nwchem_srcdir.c... Compiling mk_fit_xf.F... Compiling int_2c_ga.F... Compiling ma_solve.F... Compiling ga_local_mdot.F... ga_local_mdot.F:148:36: 63 | call dfill(nva*nvb, 0.0d0, dbl_mb(k_work), 1) | 2 ...... 148 | call dfill(nva*nvb, 0.0d0, dcpl_mb(k_work), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_cpusec.F... Compiling util_wallsec.F... Compiling gather.f... Compiling scatter.f... Compiling ga_trace_dg.F... Compiling lcopy.f... Compiling util_legal.F... Compiling util_file_name.F... Compiling util_io_unit.F... Compiling util_speak.c... Compiling util_rtdb_speak.F... Compiling util_file_copy.c... util_file_copy.c: In function 'util_file_parallel_copy': util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~~~ Compiling util_file_unlink.c... Compiling util_system.c... Compiling util_sleep.c... Compiling util_rtdb_state.F... Compiling ecce_print.c... Compiling util_random.F... Compiling util_job.F... Compiling util_getenv.F... Compiling util_getarg.F... Compiling util_nwchemrc.F... Compiling util_md.F... util_md.F:118:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 118 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:184:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 184 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:257:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 257 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:323:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 323 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... Compiling indint.F... Compiling util_wall_remain.c... Compiling ga_normf.F... Compiling corr_mk_ref.F... corr_mk_ref.F:384:14: 156 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 384 | $ NFrzVir) ) Then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nw_inp_from_file.F... Compiling bgj.F... bgj.F:399:60: 69 | & 1, itype)) then | 2 ...... 399 | if(.not.rtdb_get(bgj_rtdb,'dft:dontcare',mt_log, 1,dontcare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling movecs_ecce.F... movecs_ecce.F:122:38: 120 | call ecce_print1(ceval, mt_dbl, eval, nmo) | 2 121 | call ecce_print1(cocc, mt_dbl, occ, nmo) 122 | call ecce_print1(csym, mt_int, sym, nmo) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling get_density.F... Compiling moeig_read.F... moeig_read.F:69:45: 67 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 68 | if (ok .eq. 1) then 69 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_debug.c... Compiling util_erf.F... Compiling util_cflush.c... Compiling util_ascii_plot.F... Compiling util_length_scale.F... Compiling ga_it2.F... ga_it2.F:969:55: 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 ...... 969 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, za, maxmaxsub) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:993:51: 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 ...... 993 | $ call ga_get(g_c, 1, nsub-1, 1, 1, zc, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:994:32: 988 | call ga_brdcst(1, c, mdtob_nsub1, 0) | 2 ...... 994 | call ga_brdcst(1, zc, 2*mdtob_nsub1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1022:36: 1009 | call ga_add_patch( c(isub), g_y, 1, n, isub, isub, | 2 ...... 1022 | call ga_add_patch( zc(isub), g_y, 1, n, isub, isub, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1039:35: 923 | call ga_scale(g_delta, mone) | 2 ...... 1039 | call ga_scale(g_delta, trust/rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_it2.F:124:53: 124 | call ga_get(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:126:53: 126 | call ga_put(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1286:55: 472 | if (.not.rtdb_get(rtdb,'cphf:acc',mt_dbl,1,acc)) acc=1d-4*tol | 2 ...... 1286 | if (.not.rtdb_get(rtdb,'solver:restart',mt_int,1,restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ga_it2.F:189:41: 189 | call ga_put(g_a, i, i, i, i, 0.5*dble(i), 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1324:60: 596 | if (.not. rtdb_put(rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 1324 | if (.not. rtdb_put(rtdb, 'solver:restart', MT_int, 1, restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling ga_lkain_ext.F... Compiling ma_print.F... Compiling freeze_input.F... freeze_input.F:83:51: 59 | if (.not. rtdb_put(rtdb, key, mt_log, 1, .true.)) | 2 ...... 83 | if(.not. rtdb_put(rtdb, key, mt_int, 1, num_elem)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ga_extra.F... ga_extra.F:52:47: 44 | call ga_get(g_a, i, i, j, j, number, 1) | 2 ...... 52 | call ga_get(g_a, i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_extra.F:54:46: 46 | call ga_put(g_a,i, i, j, j, number, 1) | 2 ...... 54 | call ga_put(g_a,i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_test.F... Compiling util_ga_test.F... util_ga_test.F:1198:35: 1198 | call ga_get(g_a, 1, n, 1, n, b, n) | 1 ...... 1560 | call ga_get(g_a, 1, n, 1, n, b, n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:1232:52: 1232 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 1 ...... 1594 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:891:52: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:891:68: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:975:25: 975 | call ga_scale(g_a, factor) | 1 ...... 1818 | call ga_scale(g_a, 0.123) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1012:29: 1012 | call ga_gather(g_a, v, iv, jv, m) | 1 ...... 1870 | call ga_gather(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1044:30: 1044 | call ga_scatter(g_a, v, iv, jv, m) | 1 ...... 1903 | call ga_scatter(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:18: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:38: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). Compiling util.c... Compiling util_patch_test.F... util_patch_test.F:626:42: 626 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 1 ...... 1115 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:629:38: 629 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 1 ...... 1118 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:649:33: 649 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 1 ...... 1138 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:785:60: 785 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 1 ...... 1275 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:821:24: 821 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 1 ...... 1312 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:822:25: 822 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 1 ...... 1313 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:403:36: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). util_patch_test.F:403:41: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling util_ndim_test.F... Compiling util_perf_test.F... Compiling util_test_lu.F... Compiling util_test_eig.F... Compiling util_dra_test.F... util_dra_test.F:101:38: 101 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 1 ...... 236 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:18: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:26: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling util_eaf_test.F... util_eaf_test.F:371:30: 190 | $ DMAP(iter), | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:371:38: 191 | $ buf(1), buf_sz)) | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). util_eaf_test.F:387:29: 219 | $ DMAP(iter), | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:387:37: 220 | $ buf2(1), buf_sz)) | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_sf_test.F... Compiling ga_lkain_2cpl3.F... ga_lkain_2cpl3.F:111:34: 95 | & converge_precond)) | 2 ...... 111 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ga_lkain_2cpl3.F:1259:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1259 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1275:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1275 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1301:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1301 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1025:14: 1025 | if (debug1) then | ^ Warning: 'debug1' may be used uninitialized [-Wmaybe-uninitialized] ga_lkain_2cpl3.F:602:20: 602 | logical debug1 | ^ note: 'debug1' was declared here Compiling util_io.F... Compiling util_xyz.F... Compiling util_ma.F... Compiling util_mpinap.c... Compiling ga_lkain_2cpl3_ext.F... ga_lkain_2cpl3_ext.F:5289:72: 5289 | & 'getdiffs_Az1z1: failed op ne +1 or -1') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:5297:72: 5297 | call errquit('getdiffs_Az1z1: failed nsub lt 6') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:2495:44: 2495 | call ga_get(g_xr1,1,n2,ivec,ivec,dbl_mb(k_x),1) | 1 ...... 5811 | call ga_get(g_b,i,i,1,nvec,dcpl_mb(k_z),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:2363:53: 2363 | call ga_put(g_Ax1,idat ,idat ,ivec1,ivec1,val_re,1) | 1 ...... 6197 | call ga_put(g_a,i,i,j,j,number,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6128:27: 5698 | call ga_add_patch(one_cmplx,g_zr1,1,n1,1,nvec, | 2 ...... 6128 | call ga_add_patch(one,g_xr1 ,m1,m2,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6129:27: 5699 | $ one_cmplx,g_z1 ,1,n1,p1,p2, | 2 ...... 6129 | $ one,g_x(ipm),1 ,n ,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:123:34: 107 | & converge_precond)) | 2 ...... 123 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling util_dgeev.F... Compiling util_nwsort.F... Compiling util_mygabcast.c... Compiling util_getppn.c... Compiling util_units.F... Compiling util_align.F... Compiling util_intrsc2008.F... Compiling util_fadvise.c... ./util_scalapack_info.bash Compiling util_scalapack_info.F... Compiling ga_conjg.F... Compiling nwmolden.F... Compiling ao_1prdm_read.F... Compiling ao_1prdm_write.F... Compiling util_strips.F... Compiling util_poltensor.F... Compiling util_mygop.F... Compiling util_isnan.c... Compiling util_blasthreads.F... Compiling util_gpu_affinity.F... Compiling util_scalapack.F... Compiling util_norm2.F... Compiling util_dpofa.F... Compiling util_dgedi.F... Compiling linux_cpu.c... Compiling linux_shift.F... Compiling linux_random.c... Compiling erfc.c... Compiling linux_printaff.c... Compiling linux_setfpucw.c... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib > dependencies Compiling ga_matpow.F... Compiling util_pack.F... util_pack.F:134:28: 77 | call ifill(ndo, 0, unpacked(i1-base), 1) | 2 ...... 134 | call ifill(ndo, 0, unpacked(i2-base), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/INTEGER(1)). Compiling dabssum.F... Compiling dabsmax.F... Compiling dfill.F... Compiling ifill.f... Compiling mabyte_fill.F... Compiling zfill.f... Compiling ga_it_lsolve.F... ga_it_lsolve.F:235:72: 235 | convg_ratio = rnorm/rnorm_prev | ^ Warning: 'rnorm_prev' may be used uninitialized [-Wmaybe-uninitialized] ga_it_lsolve.F:77:40: 77 | double precision rnorm, rnorm_prev, bnorm, convg_ratio | ^ note: 'rnorm_prev' was declared here Compiling ga_it_orth.F... Compiling ga_orthog.F... Compiling idamin.f... Compiling util_jacobi.F... Compiling util_rsg.f... util_rsg.f:146:13: 146 | if (dabs(e2(l)) .le. dabs(c/h)) go to 210 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:26: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'c' was declared here util_rsg.f:139:72: 139 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:24: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'b' was declared here util_rsg.f:325:72: 325 | 60 b(j,i) = x / y | ^ Warning: 'y' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:256:26: 256 | double precision x,y | ^ note: 'y' was declared here Compiling stpr_sjacobi.F... Compiling util_memcpy.c... Compiling ga_accback.c... Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... nxtask.F:125:72: 125 | end | ^ Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] nxtask.F:36:30: 36 | integer function nxtask0(nproc, ichunk, skipfirst) | ^ note: '__result_nxtask0' was declared here nxtask.F:36:30: Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] Compiling util_mirror.F... util_mirror.F:24:23: 24 | call nga_inquire(g_a, type, ndim, dims) | 1 ...... 85 | call nga_inquire(g_a, type, ndim, dims) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_copy_dz.F... Compiling dgami.f... dgami.f:351:72: 351 | DCSEVL = 0.5D0*(B0-B2) | ^ Warning: 'b2' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:327:33: 327 | DOUBLE PRECISION B0, B1, B2, CS(*), ONEPL, TWOX, X, D1MACH | ^ note: 'b2' was declared here dgami.f:937:10: 937 | 20 IF (I .EQ. NOS) CALL XERMSG ('SLATEC', 'INITDS', | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:932:9: 932 | I = NOS + 1 - II | ^ note: 'i' was declared here dgami.f:874:72: 874 | IF (X.GT.0.D0) RETURN | ^ Warning: '__result_dlngam' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:817:38: 817 | DOUBLE PRECISION FUNCTION DLNGAM (X) | ^ note: '__result_dlngam' was declared here Compiling util_eri_cholesky.F... Compiling util_test_cholesky.F... Compiling util_sillysort.F... Compiling util_talker.c... util_talker.c: In function 'util_talker_': util_talker.c:23:19: warning: unused variable 'valread' [-Wunused-variable] 23 | int sock = 0, valread; | ^~~~~~~ Compiling icopy.f... Compiling dsum.f... Compiling dgefa.f... Compiling zsum.f... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Making all in md5 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' Compiling md5wrap.c... md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] 116 | static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) | ^~~~~~~~~~~~~~~~~~~~~~ Compiling md5.c... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a md5wrap.o md5.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ma_solve.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o util_blasthreads.o util_gpu_affinity.o util_scalapack.o util_norm2.o util_dpofa.o util_dgedi.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Making libraries in peigs make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' (/usr/bin/make lib ) || exit 1 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' (cd ./src/c; /usr/bin/make) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory Compiling clustrfix.c... clustrfix.c: In function 'clustrfix_': clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 139 | DoublePrecision eps, xj1, xj2; | ^~~ clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 134 | Integer me; | ^~ clustrfix.c:128:23: warning: variable 'num_all_cls' set but not used [-Wunused-but-set-variable] 128 | Integer j, num_cls, num_all_cls; | ^~~~~~~~~~~ clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] 127 | Integer jblk, nblk; | ^~~~ clustrfix.c: At top level: clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] 62 | static Integer clustr_check(c1, cn, imin, imax) | ^~~~~~~~~~~~ Compiling mgscs.c... mgscs.c: In function 'mgscs': mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pscale.c... pscale.c: In function 'pscale_': pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~~~ pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~ pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~ pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~~~~ Compiling clustrxx5.c... clustrxx5.c: In function 'clustrinv5_': clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~ Compiling clustrxx4.c... clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 84 | DoublePrecision eps; | ^~~ clustrxx4.c:78:23: warning: variable 'Zvec' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~~~ Compiling pstein4.c... Compiling pstein5.c... pstein5.c: In function 'pstein5': pstein5.c:232:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pstein5.c:232:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pstein5.c:300:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pstein5.c:300:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pstein5.c:444:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~ | | | Integer {aka long int} pstein5.c:444:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~ | | | Integer {aka long int} pstein5.c:444:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~~~ | | | Integer {aka long int} Compiling peigs_dlasq1.c... peigs_dlasq1.c: In function 'peigs_dlasq1': peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 33 | printf(" error in ylasq1 info = %d \n", *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 34 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 37 | fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); | ~^ ~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 12 | Integer i, j, iii, me, nproc; | ^~~~~ peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] 39 | fflush(file); | ^~~~~~~~~~~~ peigs_dlasq1.c:38:5: note: call to 'fclose' here 38 | fclose(file); | ^~~~~~~~~~~~ Compiling b_ortho.c... b_ortho.c: In function 'b_ortho': b_ortho.c:190:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling chol_bcst.c... chol_bcst.c: In function 'chol_pipe_bcast': chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 97 | Integer *junk, k, isize; | ^~~~~ Compiling choleski9.c... choleski9.c: In function 'sub_chol0': choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~ choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~~~ Compiling ci_entry.c... ci_entry.c: In function 'ci_entry': ci_entry.c:122:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 122 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:145:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 145 | printf("PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_entry_': ci_entry.c:231:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 231 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:254:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 254 | printf( "PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_size_': ci_entry.c:321:20: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:56: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:68: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:335:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 335 | printf(" Peigs: ci_size_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'fil_mapvec_': ci_entry.c:396:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 396 | printf(" Peigs: fil_mapvec_ node %d : first argument is NULL \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:397:19: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 397 | printf("me = %d fil_mapvec_ \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:60: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:403:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 403 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:408:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 408 | printf(" Peigs: fil_mapvec_ node %d : 2nd argument is NULL i\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:409:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 409 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:413:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem second argument is invalid \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:414:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 414 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:418:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 418 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:420:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 420 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:427:42: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 427 | printf(" Peigs: fil_mapvec_ node %d : 3rd argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:428:28: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 428 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:432:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:433:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 433 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:435:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 435 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:444:23: warning: the comparison will always evaluate as 'false' for the pointer operand in 'mapvec + (sizetype)((long unsigned int)k * 8)' must not be NULL [-Waddress] 444 | if ( mapvec + k == NULL ) { | ^~ ci_entry.c:446:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 446 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:447:30: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 447 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld Compiling conjug22.c... conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] 95 | Integer *iscrat, *mapvecA, *mapvecB, *iptr; | ^~~~ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 94 | Integer i, me, nvecsA, nvecsB, linfo, id; | ^~~~~ Compiling de_sym.c... de_sym.c: In function 'un_load': de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] 250 | Integer indx, jndx, j, k, icount; | ^~~~~~ Compiling exit.c... exit.c: In function 'g_exit2_': exit.c:78:35: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 78 | fprintf(stderr, "G_EXIT2: Node %d Error. A routine called g_exit2_, \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:79:65: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 79 | fprintf(stderr, "Message from calling routine: %s node id = %d \n", array, me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c: In function 'g_exit_': exit.c:151:36: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 151 | fprintf(stderr, "G_EXIT: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:41: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:51: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling exit2.c... exit2.c: In function 'l_exit_': exit2.c:61:39: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit2.c:61:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling forLL.c... Compiling forLU.c... Compiling gmax.c... Compiling inverse.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 91 | Integer *junk, *ptr, k, isize; | ^~~~~ inverse.c: In function 'inverseL': inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] 225 | Integer length; | ^~~~~~ Compiling lu_mxm2.c... Compiling mapdif.c... mapdif.c: In function 'mapdif_': mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 77 | Integer me; | ^~ Compiling mapdif1.c... mapdif1.c: In function 'mapdif1_': mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 79 | Integer me; | ^~ Compiling matmax.c... Compiling mdif2b.c... Compiling mdiff1.c... Compiling mdiff2.c... Compiling memreq.c... memreq.c: In function 'memreq_': memreq.c:181:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 181 | fprintf(stderr, " me = %d error in mapB in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:197:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 197 | fprintf(stderr, " me = %d error in mapZ in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:109:59: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 109 | Integer nvecsA, nvecsQ, nvecsQ_max, nvecsZ, nvecsZ_max, nvecsB; | ^~~~~~ memreq.c:105:32: warning: variable 'ptr_mxm25' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:105:21: warning: variable 'ptr_tred2' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:104:30: warning: variable 'ptr_clustrinv' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~~~~~~~ memreq.c:104:21: warning: variable 'ptr_mgs' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~ memreq.c:103:58: warning: variable 'ptr_inv_it' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:45: warning: variable 'ptr_clustrf' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~~ memreq.c:103:33: warning: variable 'ptr_pstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:21: warning: variable 'ptr_dstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:100:41: warning: variable 'd_clustrf' set but not used [-Wunused-but-set-variable] 100 | d_dstebz, d_pstebz, d_clustrf, d_inv_it, | ^~~~~~~~~ Compiling memreq_f.c... memreq_f.c: In function 'fmemreq_': memreq_f.c:168:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 168 | fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling mgs5.c... Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... ortho.c: In function 'ortho': ortho.c:162:44: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho.c:162:54: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho.c:162:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling pdspev_c.c... pdspev_c.c: In function 'pdspev': pdspev_c.c:287:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:287:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~~~~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:315:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:315:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:341:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:341:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:357:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 357 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:382:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 382 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 206 | iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, | ^~~~~ Compiling pdspevx.c... pdspevx.c: In function 'pdspevx': pdspevx.c:353:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 353 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:455:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:455:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:482:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:482:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:498:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 498 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:523:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 523 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:937:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:937:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] 289 | Integer iscale; | ^~~~~~ pdspevx.c:288:54: warning: variable 'anrm' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:48: warning: variable 'rmax' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:42: warning: variable 'rmin' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~ pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] 278 | DoublePrecision fnormA; | ^~~~~~ pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~~ pdspevx.c:268:7: warning: variable 'mapZ_0' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~ pdspevx.c:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] 267 | isize, nZ2, | ^~~ pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 266 | nproc, itmp, | ^~~~~ Compiling pdspgv_c.c... pdspgv_c.c: In function 'pdspgv': pdspgv_c.c:319:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_c.c:319:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:352:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:352:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:386:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:386:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:406:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 406 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:432:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 229 | Integer i, j, k, isize, msize, me, nproc; | ^~~~~ Compiling pdspgvx.c... pdspgvx.c: In function 'pdspgvx': pdspgvx.c:422:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx.c:422:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:466:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgvx.c:466:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:512:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgvx.c:512:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:532:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 532 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:557:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 557 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:38: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:61: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling pdsptri.c... pdsptri.c: In function 'pdsptri': pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdsptri.c:534:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling peigs_cmod.f... Compiling pipe_fut.c... pipe_fut.c: In function 'pipe_bcst_fut_col': pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 85 | Integer *junk, *ptr, k, isize; | ^~~~~ Compiling pmmLSL.c... pmmLSL.c: In function 'pmmLSL': pmmLSL.c:92:64: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 92 | Integer i, k, me, isize, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmLUL.c... pmmLUL.c: In function 'pmmLUL': pmmLUL.c:96:73: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 96 | Integer i, k, me, isize, isize0, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmlsl2.c... pmmlsl2.c: In function 'pmmlsl2': pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; | ^~~~~~~ pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 90 | Integer me, isize, indx, nvecsA, nvecsB; | ^~~~~~ Compiling pxerbla.c... pxerbla.c: In function 'pxerbla2_': pxerbla.c:128:37: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 128 | fprintf(stderr, "PXERBLA: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling qsort.c... Compiling resid.c... Compiling residual.c... Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision safeulp; | ^~~~~~~ Compiling sonenorm.c... Compiling soort.c... Compiling sort.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] 43 | Integer i, j, *k; | ^ Compiling sorteig.c... sorteig.c: In function 'sorteig': sorteig.c:61:27: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 61 | Integer me, naproc, nvecsZ, indx, jj, isaved, jlast, itmp, | ^~~~~~ Compiling tred22.c... tred22.c: In function 'tred2': tred22.c:328:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 328 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld tred22.c:354:43: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 354 | sprintf(msg, "TRED22:Error in argument %d \n", linfo); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling treesort3.c... treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] 109 | Integer *junk, k, num_indx; | ^~~~ Compiling tresid.c... tresid.c: In function 'tresid': tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] 118 | DoublePrecision t, derror, normA, ulp, dumb; | ^~~~ Compiling util.c... Compiling xerbla.c... xerbla.c: In function 'xerbla': xerbla.c:45:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 45 | fprintf(stdout, " processor %d \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld xerbla.c:46:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 46 | fprintf(stdout, " ** On entry to %s parameter number %d had an illegal value or pointer \n", | ~^ | | | int | %ld 47 | string, *info ); | ~~~~~ | | | Integer {aka long int} Compiling mapchk.c... mapchk.c: In function 'mapchk_': mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] 59 | for (indx = 0; indx < *n; indx++ ) | ^~~ mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' 64 | iptr++; | ^~~~ Compiling pdiff.c... pdiff.c: In function 'pdiff': pdiff.c:104:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 104 | fprintf( stderr, " Error in pdiff. me = %d not in proclist. \n", me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdiff.c:131:58: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~ | | | Integer {aka long int} pdiff.c:131:65: warning: format '%d' expects argument of type 'int', but argument 6 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~~~~~~~~ | | | Integer {aka long int} Compiling pgexit.c... pgexit.c: In function 'pgexit': pgexit.c:85:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 85 | fprintf( stderr, " %s me = %d exiting via pgexit. \n", msg, mxmynd_() ); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld Compiling reducemap.c... Compiling pstebz10.c... pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 244 | DoublePrecision eps, tmp; | ^~~ pstebz10.c:229:24: warning: variable 'safemn' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~~~~ pstebz10.c:229:19: warning: variable 'ulp' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~ pstebz10.c:226:11: warning: variable 'j' set but not used [-Wunused-but-set-variable] 226 | Integer j, i, i1split, jsplit, blksz; | ^ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 225 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz10.c:512:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:224:13: note: 'nlow' was declared here 224 | iii, m, nlow, me, nn_procs, | ^~~~ pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:223:5: note: 'nhigh' was declared here 223 | nhigh, numeig, isize, linfo, | ^~~~~ Compiling pstebz11.c... pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~~ pstebz11.c:246:26: warning: variable 'reig' set but not used [-Wunused-but-set-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~ pstebz11.c:228:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 228 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz11.c:227:30: warning: unused variable 'k' [-Wunused-variable] 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^ pstebz11.c:226:34: warning: unused variable 'ival' [-Wunused-variable] 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~ pstebz11.c:225:20: warning: unused variable 'indx' [-Wunused-variable] 225 | Integer indx, il, iu, ifakeme, itype, | ^~~~ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] 221 | char msg[35], *cptr; | ^~~~ pstebz11.c:657:33: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 657 | il = irem + ifakeme * ncol + nlow; | ~~~~~~~~~~~~~~~~~~~~~~^~~~~~ pstebz11.c:227:14: note: 'nlow' was declared here 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^~~~ pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:226:6: note: 'nhigh' was declared here 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~~ Compiling inv_it4.c... inv_it4.c: In function 'inv_it4': inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 78 | DoublePrecision xj, sep; | ^~~ inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; | ^~~~~~ Compiling inv_it5.c... inv_it5.c: In function 'inv_it5': inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 72 | DoublePrecision xj, sep; | ^~~ Compiling inv_it3.c... Compiling peigs_tldlfact.c... Compiling clustrf5.c... clustrf5.c: In function 'clustrf5_': clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] 188 | DoublePrecision ortol, xj, sepfine; | ^~~~~ clustrf5.c:456:13: warning: 'xjm' may be used uninitialized [-Wmaybe-uninitialized] 456 | xj = xjm + pertol; | ~~~^~~~~~~~~~~~~~ clustrf5.c:187:19: note: 'xjm' was declared here 187 | DoublePrecision xjm, eps1; | ^~~ Compiling r_ritz.c... r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~~~ r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~ Compiling gdot.F... ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpeigs.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' (cd ./src/f77; /usr/bin/make) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory Compiling inverm.F... inverm.F:497:72: 497 | IC = ICD | ^ Warning: 'icd' may be used uninitialized [-Wmaybe-uninitialized] inverm.F:422:22: 422 | INTEGER I,IC,ICD,IC0,IC1,IC2,MK1,MK2,MMAX | ^ note: 'icd' was declared here Compiling damax.f... Compiling dlaebz2.F... Compiling dstebz3.F... dstebz3.F:507:72: 507 | GU = MIN( GU, WU ) | ^ Warning: 'wu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:67: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wu' was declared here dstebz3.F:506:72: 506 | GL = MAX( GL, WL ) | ^ Warning: 'wl' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:58: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wl' was declared here Compiling heapsort.f... Compiling neblw2.F... neblw2.F:123:72: 123 | RETURN | ^ Warning: '__result_neblw2' may be used uninitialized [-Wmaybe-uninitialized] neblw2.F:35:29: 35 | INTEGER FUNCTION NEBLW2(N, V, D, E, WORK, INFO ) | ^ note: '__result_neblw2' was declared here Compiling dgetavec.F... Compiling dgetavec2.f... Compiling dgetavec3.f... Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... Compiling pairup.f... Compiling xstop.f... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' (cd ./comm; /usr/bin/make) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory Compiling mxbrod.F... mxbrod.F:141:72: 141 | dstsrc = mylpos - srcpos | ^ Warning: 'srcpos' may be used uninitialized [-Wmaybe-uninitialized] mxbrod.F:84:20: 84 | integer srcpos | ^ note: 'srcpos' was declared here Compiling mxcombv1.F... mxcombv1.F:342:72: 342 | prtnr = nodel(prtlpos+1) | ^ Warning: 'prtlpos' may be used uninitialized [-Wmaybe-uninitialized] mxcombv1.F:135:28: 135 | integer prtnr, prtlpos | ^ note: 'prtlpos' was declared here Compiling mxsubs.F... mxsubs.F:571:21: 571 | ireslt = mxwrit (data,isize,ito,itype) | ^ Warning: 'ireslt' may be used uninitialized [-Wmaybe-uninitialized] Compiling sum.F... Compiling maxx.F... Compiling peigs_dgop.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' (cd ./ctof; /usr/bin/make) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory Compiling bortho_f.c... bortho_f.c: In function 'bortho_': bortho_f.c:120:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... Compiling onenorm_f.c... Compiling ortho_f.c... ortho_f.c: In function 'ortho_': ortho_f.c:115:46: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:56: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling pdspev_f.c... pdspev_f.c: In function 'pdspev_': pdspev_f.c:147:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspev_f.c:147:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspev_f.c:159:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspevx_f.c... pdspevx_f.c: In function 'pdspevx_': pdspevx_f.c:170:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx_f.c:170:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx_f.c:182:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 182 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspgv_f.c... pdspgv_f.c: In function 'pdspgv_': pdspgv_f.c:159:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_f.c:159:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_f.c:172:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 172 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspgvx_f.c... pdspgvx_f.c: In function 'pdspgvx_': pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 192 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling resid_f.c... Compiling residual_f.c... Compiling sonenorm_f.c... Compiling tresid_f.c... Compiling choleski_f.c... Compiling inverse_f.c... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' rm -f libpeigs.a ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpeigs.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpeigs.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' touch peigs_stamp.LINUX64 make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' Making libraries in perfm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Compiling perfm_start.F... Compiling perfm_end.F... Compiling perfm_flop.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Compiling dist.c... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making libraries in bq make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Compiling bq_input.F... bq_input.F:49:56: 49 | if (.not. rtdb_get(rtdb, 'bq:max_nbq', mt_int, 1, max_nbq)) | 1 ...... 523 | & mt_dbl,ncenter_tmp,charge)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling bq_data.F... Compiling bq_rtdb.F... bq_rtdb.F:109:50: 102 | if(.not. rtdb_put(irtdb,tag,mt_int,1,ncent)) | 2 ...... 109 | if(.not. rtdb_put(irtdb,tag,mt_dbl,3*ncent,dbl_mb(i_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling bq_main.F... Compiling bq_force.F... Compiling bq_checksum.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making libraries in cons make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Compiling cons_input.F... Compiling cons.F... cons.F:564:20: 564 | > mt_int,1,nfa) | 1 ...... 925 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling cons_utils.F... Compiling cons_springs.F... cons_springs.F:184:52: 60 | status=rtdb_get(rtdb,tag_n,mt_int,1,nhb) | 2 ...... 184 | if(rtdb_get(rtdb, 'cons:simulate', mt_log, 1, status)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling cons_rtdb.F... cons_rtdb.F:1041:21: 1014 | if(.not.rtdb_get(rtdb,tag_n,mt_int,1,nc)) then | 2 ...... 1041 | > mt_dbl,nc,dbl_mb(i_tmp_k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cons_rtdb.F:31:41: 25 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 31 | if(.not.rtdb_put(rtdb,tag,mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cons_data.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making libraries in NWints make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Compiling intgrl_input.F... Making all in simint make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making all in module make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Compiling nwcsim_module.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a nwcsim_module.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Making all in source make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a nwcsim_facef90.o nwcsim_hf2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making all in api make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Compiling cando_sp.F... cando_sp.F:294:0: 294 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :14:0: note: this is the location of the previous definition Compiling exact_mem.F... exact_mem.F:71:54: 62 | if (.not.(rtdb_get(rtdb,'int:full_mem',Mt_Log,1,o_do_full))) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'int:mem2emax',Mt_Int,1,mem2emax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling exactd_mem.F... Compiling int_1cg.F... Compiling int_1e3ov.F... Compiling int_1estv.F... Compiling int_2e2c.F... int_2e2c.F:58:0: 58 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :14:0: note: this is the location of the previous definition Compiling int_2e3c.F... Compiling int_acc.F... Compiling int_canon.F... Compiling int_chk_init.F... Compiling int_chk_sh.F... Compiling int_func_c.F... Compiling int_init.F... int_init.F:82:47: 82 | if (rtdb_get(rtdb,'int:acc_std',mt_dbl,1,val_int_acc_std)) then | 1 ...... 309 | if (rtdb_get(rtdb,'int:cando_sp',MT_LOG,1,status)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... Compiling int_l1eke.F... Compiling int_l1eov.F... Compiling int_l1epe.F... Compiling int_l2e2c.F... Compiling int_l2e3c.F... Compiling int_lgen1e.F... Compiling int_mem.F... Compiling int_mpolel.F... Compiling int_mpole.F... Compiling int_nint.F... Compiling int_pgen1e.F... Compiling int_projpole.F... Compiling int_term.F... Compiling intd_1eh1.F... Compiling intd_1eov.F... Compiling intd_1eke.F... Compiling int_1er.F... Compiling intd_2e2c.F... Compiling intd_2e3c.F... Compiling intd_2e4c.F... intd_2e4c.F:258:33: 258 | call ycopy((nint_ck*3*4),0.0d00,0,eri,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:286:21: 286 | call ycopy(3,0.0d00,0,roff,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:307:31: 307 | call ycopy(nintzero, 0.0d0, 0, eri, 1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intd_init.F... intd_init.F:368:50: 198 | if (rtdb_get(rtdb,'intd:cando_txs',MT_LOG,1,status)) | 2 ...... 368 | if (rtdb_get(rtdb,'intd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intd_1e3ov.F... Compiling intbd_init4c.F... Compiling intbd_2e4c.F... intbd_2e4c.F:283:29: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 283 | call ycopy((12*nint_s),0.0d00,0,eri,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intbd_2e4c.F:293:32: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 293 | call ycopy((3*nint_s),0.0d00,0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intbdd_init4c.F... Compiling intbdd_2e4c.F... intbdd_2e4c.F:236:25: 236 | call ycopy (numint,eri,1,scr,1) | 1 ...... 286 | call ycopy((78*nint_s),0.0d00,0,eri,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling intd_mpolel.F... Compiling intdd_1eh1.F... Compiling intdd_1eov.F... Compiling intdd_2e2c.F... Compiling intdd_2e4c.F... Compiling intdd_2e3c.F... Compiling intdd_init.F... intdd_init.F:228:51: 96 | if (rtdb_get(rtdb,'intdd:cando_txs',MT_LOG,1,status)) | 2 ...... 228 | if (rtdb_get(rtdb,'intdd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intp_1eke.F... Compiling intp_1eov.F... Compiling intp_1epe.F... Compiling intp_2e2c.F... Compiling intp_2e3c.F... Compiling intp_mpole.F... Compiling intp_1e1cpe.F... Compiling intp_2e3ct.F... Compiling intp_mpolel.F... Compiling intp_txyz.F... Compiling intpd_1e1cpe.F... Compiling intpd_1eke.F... Compiling intpd_1eov.F... Compiling intpd_1epe.F... Compiling intpd_2e2c.F... Compiling intpd_2e3c.F... Compiling intpd_2e3ct.F... Compiling intpd_mpolel.F... Compiling intso_1e.F... Compiling intd_1eso.F... Compiling int_1epvpe.F... Compiling int_1epxvpe.F... Compiling int_vstat1e.F... Compiling intdd_1eecp1.F... Compiling int_1eelec.F... Compiling int_giaoh01.F... Compiling int_giaoh11.F... Compiling int_giaol10.F... Compiling int_giaos10.F... Compiling int_giaotv10.F... Compiling int_giaobq10.F... Compiling int_giao_2e.F... Compiling int_pso.F... Compiling int_dso.F... Compiling int_ops.F... Compiling intd_1epot.F... Compiling intd_1epot_cosmo.F... Compiling int_veloc.F... Compiling int_angmom.F... Compiling int_giaos100.F... Compiling cosmo_screen.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Compiling int_hf1sp.F... int_hf1sp.F:597:56: 597 | c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ | Warning: backslash and newline separated by space Compiling int_l2e4c.F... Compiling intb_init4c.F... Compiling intb_2e4c.F... Compiling int_2e4c.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Making all in int make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Compiling hf3PEabc.F... Compiling hf3mkr.f... Compiling hf3pot.F... Compiling defNxyz.F... Compiling getNxyz.F... Compiling matchNxyz.F... Compiling hf1.F... hf1.F:190:72: 190 | i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod | ^ Warning: 'npp' may be used uninitialized [-Wmaybe-uninitialized] hf1.F:31:25: 31 | integer MXD,NCP,NPP,La2,Lb2,Li,Lp,Lp3,MaxMem,nintlocal,lprod,nd | ^ note: 'npp' declared here Compiling hf1mke3.f... Compiling hf1mkr.f... Compiling hf1set3.F... Compiling hf2.F... Compiling hf2mkr.F... Compiling hf2oi.f... Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... Compiling hferi.F... Compiling hferi_gen.F... Compiling hfkei.f... Compiling hfmke.F... Compiling hfmkr.F... Compiling hfnai.f... Compiling hfset.F... Compiling igamma.F... Compiling hf_print.f... Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... Compiling hfnai_er.F... Compiling case_impl.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Making all in auxil make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Compiling do_chk_sum.F... Compiling intb_chk_sum.F... intb_chk_sum.F:129:21: 72 | if (rtdb_get(rtdb,'intcsum:b2e4cprint',MT_LOG,1,dumm69)) then | 2 ...... 129 | & MT_INT,1,int_tmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling xlmcoeff.F... Compiling xlm_norm.F... Compiling int_spcart2.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Compiling int_norm.F... Compiling nmcoef.F... Compiling int_norm_2c.F... Compiling int_chk_sum.F... Compiling int_spcart.F... int_spcart.F:824:39: 824 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:935:45: 935 | call ycopy((ndima*ndimb*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:704:39: 704 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3050:27: 3050 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:324:29: 324 | call ycopy((ld2s*ld2s),0.0d00,0,dbl_mb(k_ov),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:328:33: 328 | call ycopy((ld2s*(2*ld+1)),0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3155:20: 3155 | call ycopy (3,0.0d00,0,xyz,1) ! do it at the origin | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3186:26: 3186 | call ycopy(scr_size,0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3191:33: 3191 | call ycopy((rankov*rankov),0.0d00,0,overlap,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:414:34: 414 | call ycopy ((2*Ld+1)*(Ld+1),0.0d00,0,cart_scale,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:79:27: 79 | call ycopy(size_sp2c,0.0d00,0,dbl_mb(k_sp2c),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:113:30: 113 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_sp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:121:30: 121 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_invsp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:130:43: 130 | call ycopy(((2*lmaxin+1)*(lmaxin+1)),0.0d00,0, | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3113:29: 3113 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nmcoef2c.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Making all in ints_sp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Compiling sp1111.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Compiling genr70.F... Compiling init70.F... Compiling qout70.F... Compiling sinfo.F... Compiling sp0000.F... Compiling sp0001.F... Compiling sp0011.F... Compiling sp0101.F... Compiling sp0111.F... Compiling tabgen.f... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Making all in deriv make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Compiling hf1d.F... Compiling hf2d.F... Compiling hfd2oi.f... Compiling hfderi.F... hfderi.F:246:16: 246 | if( kl.gt.ij ) go to 480 | ^ Warning: 'ij' may be used uninitialized [-Wmaybe-uninitialized] hfderi.F:120:15: 120 | ij = (ma*(ma-1))/2 + mb | ^ note: 'ij' was declared here Compiling hfdkei.F... Compiling hfdnai.f... Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... Compiling hf2d_3a2b.F... Compiling hf2d_all.F... Compiling hf1PRtoAB.f... Compiling hf2PRtoAB.f... Compiling hf2QStoCD.f... Compiling hfd3oi.F... Compiling hf1d_cosmo.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Making all in texas make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Compiling abcd.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Compiling texas_face.F... texas_face.F:1064:72: 1064 | * iprint,ncs,inx(inxx),ntxs_scr_size) | 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) texas_face.F:1463:48: 1353 | if (rtdb_get(rtdb,'int:txs:icheck',MT_INT,1,int_tmp)) then | 2 ...... 1463 | if (rtdb_get(rtdb,'int:txs:limi',MT_INT,3,rtdblim)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) texas_face.F:1552:19: 1552 | common /ganz/ ll9(9) ,na,nn4(4) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (112 vs 672 bytes) texas_face.F:1159:19: 1159 | common /ganz/ lcore,iov,last,nganz(67) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (560 vs 672 bytes) texas_face.F:523:25: 523 | common /ctxs_index/ maxsh,ifp,inx(mxsh) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (1520016 vs 24 bytes) texas_face.F:1757:25: 1757 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1917:25: 1917 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) Compiling texas_hf.F... texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'icstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'jcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'kcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'lcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isupblk' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxpair' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) Compiling big_service.F... big_service.F:805:72: 805 | s=zero | ^ Warning: 'zero' is used uninitialized [-Wuninitialized] big_service.F:805:12: 805 | s=zero | ^ note: 'zero' was declared here Compiling getmem.F... Compiling amshift.F... amshift.F:82:72: 82 | call make_indxx(bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:141:72: 141 | * bl(indxx),lni*lnj,lnk*lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:168:72: 168 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:180:72: 180 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:195:72: 195 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:219:72: 219 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:251:72: 251 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:299:72: 299 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:341:72: 341 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) Compiling assemblx.F... assemblx.F:1438:72: 1438 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1456:72: 1456 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1473:72: 1473 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1491:72: 1491 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1506:72: 1506 | * bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1519:72: 1519 | * bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1531:72: 1531 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1543:72: 1543 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1555:72: 1555 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1567:72: 1567 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1582:72: 1582 | * lck,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1593:72: 1593 | * lcl,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1604:72: 1604 | * lci,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1615:72: 1615 | * lcj,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1626:72: 1626 | * lcij,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:55:72: 55 | * bl(ibuf2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:64:72: 64 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:69:72: 69 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:76:72: 76 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:81:72: 81 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:91:72: 91 | * bl(iaax),bl(ibbx),bl(iccx),bl(iexpo)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:96:72: 96 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling spec_block.F... spec_block.F:84:72: 84 | * bl(nblock1),nbl1,nbl2,nbl4) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxpair' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) Compiling cshneg.f... Compiling d_datlog.F... Compiling spec_calcint.F... spec_calcint.F:102:72: 102 | call doblock2(ibl,bl(ijblock),idoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:106:72: 106 | call doblock2(kbl,bl(klblock),jdoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:126:72: 126 | call get_nparts(isupb,bl(isbl_part),nparts) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblok1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxkl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'ipres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxp' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) Compiling spec_destiny.F... Compiling memoha.F... Compiling precalc2.F... precalc2.F:34:72: 34 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:42:72: 42 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:75:72: 75 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:83:72: 83 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:312:72: 312 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:317:72: 317 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:336:72: 336 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:341:72: 341 | * nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1346:72: 1346 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1370:72: 1370 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1628:72: 1628 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1606:25: 1606 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here precalc2.F:1621:72: 1621 | fctsp= abs( est_is*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1549:24: 1549 | est_jp=1.0d0 | ^ note: 'est_jp' was declared here precalc2.F:1606:72: 1606 | factab=abs( est_is*est_js ) | ^ Warning: 'est_is' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1523:24: 1523 | est_is=csi | ^ note: 'est_is' was declared here precalc2.F:1623:72: 1623 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1524:24: 1524 | est_ip=1.0d0 | ^ note: 'est_ip' was declared here precalc2.F:584:72: 584 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:562:25: 562 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:517:24: 517 | est_jp=1.d0 | ^ note: 'est_jp' was declared here precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:488:24: 488 | est_ip=1.d0 | ^ note: 'est_ip' was declared here Compiling prepint.F... Compiling lab_reorder.F... Compiling rt123.F... Compiling shells.F... Compiling time.f... Compiling zeroint.F... zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idpres' at (1); passed REAL(8) to INTEGER(8) zeroint.F:45:72: 45 | call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:57:72: 57 | * bl(ibut2),l01,l02,nfu(nqij)+1,nfu(nqkl)+1 ) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:70:72: 70 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:86:72: 86 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:101:72: 101 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:116:72: 116 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:132:72: 132 | * bl(ibut2 ),lij3,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:146:72: 146 | * bl(ibut2 ),l01,lkl3,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:160:72: 160 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:174:72: 174 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:188:72: 188 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:202:72: 202 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:218:72: 218 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:230:72: 230 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:242:72: 242 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:254:72: 254 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:269:72: 269 | * bl(ibut2 ),lsss,lsss,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) Compiling missing.f... Compiling texas_stubs.F... texas_stubs.F:7:0: 7 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :14:0: note: this is the location of the previous definition Compiling uniq_pairs.F... uniq_pairs.F:73:72: 73 | call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) | 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:74:72: 74 | call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) | 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:40:72: 40 | * bl(ij_uniqe) , nij_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:42:72: 42 | * bl(kl_uniqe) , nkl_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling transfor.F... Compiling gencon.f... gencon.f:352:72: 352 | * bl(indx),nbls1, ngcd,bl(igcoet) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:366:72: 366 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:370:72: 370 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling derivat.F... Compiling convert.f... Compiling test_calc2.f... Compiling screened_op.F... Compiling trobsa.F... trobsa.F:292:72: 292 | call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:329:72: 329 | call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:364:72: 364 | * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:372:72: 372 | * bl(ip1234),bl(iabcd),bl(ihabcdx) ) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:382:72: 382 | * bl(iwt0),bl(iwt0_u),lnij,lnkl) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixwp_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:319:36: 319 | call getmem(nbls1_u*3, ixwp_u ) ! xwp & xwq | ^ note: 'ixwp_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixpnx_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:318:37: 318 | call getmem(nbls1_u*3, ixpnx_u ) ! xpnx & xqnx | ^ note: 'ixpnx_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iabnix_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:317:45: 317 | call getmem(nbls1_u*(mmax_1), iabnix_u ) ! abnix & cdnix | ^ note: 'iabnix_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'irhoapb_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:316:37: 316 | call getmem(nbls1_u, irhoapb_u ) ! rhoapb & rhocpd | ^ note: 'irhoapb_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Making all in ecp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Compiling ecp_sph_tens.f... Compiling int_ecp.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Compiling ecp_3j_prod.f... Compiling ecp_angint.f... Compiling ecp_angrad.f... Compiling ecp_bess_asy.F... Compiling ecp_bess_pow.f... Compiling ecp_bessel.f... Compiling ecp_c2slower.f... Compiling ecp_c2snorm.F... ecp_c2snorm.F:42:72: 42 | wa = wa/sqrt(wb*wc) | ^ Warning: 'wa' may be used uninitialized [-Wmaybe-uninitialized] ecp_c2snorm.F:20:25: 20 | double precision wa,wb,wc,zero,half | ^ note: 'wa' was declared here Compiling ecp_c2srecur.f... Compiling ecp_cart_xpd.F... ecp_cart_xpd.F:117:32: 102 | call ycopy(m-a+1,zero,0,tmp(ind_n,ind_m+1),n_n) | 2 ...... 117 | call ycopy (n_n*ind_m,tmp,1,coef(1,ind_s),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling ecp_contract.f... Compiling ecp_cstrans.F... Compiling ecp_down_m.f... Compiling ecp_gaussq.f... Compiling ecp_init_c2s.F... Compiling ecp_init_con.F... Compiling ecp_int0.F... Compiling ecp_int1.F... Compiling ecp_int2.F... Compiling ecp_integral.F... Compiling ecp_matpi.F... Compiling ecp_matpr.F... Compiling ecp_radint0.F... Compiling ecp_radint1.F... Compiling ecp_radint2.F... Compiling ecp_s2ccoef.f... Compiling ecp_s2cnorm.F... Compiling ecp_so_ang.F... Compiling ecp_t1_Q0asy.F... Compiling ecp_t1_Q0int.F... Compiling ecp_t1_Q0pow.F... Compiling ecp_t1_Q1asy.F... Compiling ecp_t1_Q1int.F... Compiling ecp_t1_Q1pow.F... Compiling ecp_t1_Q2int.F... Compiling ecp_t2_ghq.F... Compiling ecp_t2_init0.f... Compiling ecp_t2_init1.f... Compiling ecp_t2_init2.F... Compiling ecp_t2_p0pow.F... Compiling ecp_t2_p1pow.F... Compiling ecp_up_k.f... Compiling ecp_local0.F... Compiling ecp_local1.F... Compiling ecp_local2.F... Compiling ecp_locint1.F... ecp_locint1.F:56:42: 56 | & coeff_c(n_c),tol,wa,wb,wc,prefac | ^ Warning: 'prefac' may be used uninitialized [-Wmaybe-uninitialized] Compiling ecp_skipint.F... Compiling ecp_t1_Q3asy.F... Compiling ecp_t1_Q3int.F... Compiling ecp_t1_Q3pow.F... Compiling ecp_t1_Q4int.F... Compiling ecp_t2_init3.f... Compiling ecp_t2_init4.f... Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... Compiling ecp_ind_var.f... Compiling ecp_gradient.F... Compiling ecp_grad_a.F... Compiling ecp_grad_b.F... Compiling ecp_hessian.F... Compiling ecp_int2_k.F... Compiling ecp_local2_k.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Making all in hondo make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Compiling hnd_vstat.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Compiling hnd_whermt.F... Compiling hnd_rt123.F... Compiling hnd_root4.F... Compiling hnd_root5.F... Compiling hnd_droot.F... Compiling hnd_1emem.F... Compiling hnd_init.F... Compiling hnd_set_acc.F... Compiling hnd_stvint.F... Compiling hnd_sxyz.F... hnd_sxyz.F:66:72: 66 | pz=pz*bz | ^ Warning: 'bz' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:60: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'bz' was declared here hnd_sxyz.F:65:72: 65 | py=py*by | ^ Warning: 'by' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:56: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'by' was declared here hnd_sxyz.F:64:72: 64 | px=px*bx | ^ Warning: 'bx' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:52: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'bx' was declared here hnd_sxyz.F:18:48: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'az' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:44: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ay' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:40: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ax' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_txyz.F... Compiling hnd_initd.F... Compiling hnd_d1emem.F... Compiling hnd_stvintd.F... Compiling hnd_dderij.F... Compiling hnd_sd_ij.F... Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... Compiling hnd_hlf_ij.F... Compiling hnd_dervxyz.F... Compiling hnd_initdd.F... Compiling hnd_dd1emem.F... Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... Compiling hnd_terminate.F... Compiling hnd_denxyz.F... Compiling hnd_elfder.F... Compiling hnd_giaoh01.F... Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... Compiling hnd_giaos10.F... Compiling hnd_giaotv10.F... Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... Compiling hnd_giagnm.F... hnd_giagnm.F:56:13: 54 | do 70 m=2,max | 2 55 | do 70 ig=1,ng 56 | 70 b00(ig,m)=b00(ig,m-1)+b00(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:64:13: 62 | do 80 n=2,nmax-1 | 2 63 | do 80 ig=1,ng 64 | b10(ig,n)=b10(ig,n-1)+b10(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:81:29: 79 | do 100 n=2,nmax-1 | 2 80 | do 100 ig=1,ng 81 | gnm(ig,1,n+1,2)=b00(ig,n)*gnm(ig,1,n,1)+d00(ig,1)*gnm(ig,1,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:82:29: 79 | do 100 n=2,nmax-1 | 2 ...... 82 | gnm(ig,2,n+1,2)=b00(ig,n)*gnm(ig,2,n,1)+d00(ig,2)*gnm(ig,2,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:83:29: 79 | do 100 n=2,nmax-1 | 2 ...... 83 | gnm(ig,3,n+1,2)=b00(ig,n)*gnm(ig,3,n,1)+d00(ig,3)*gnm(ig,3,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:95:13: 93 | do 130 m=2,mmax-1 | 2 94 | do 130 ig=1,ng 95 | b01(ig,m)=b01(ig,m-1)+b01(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:112:29: 110 | do 150 m=2,mmax-1 | 2 111 | do 150 ig=1,ng 112 | gnm(ig,1,2,m+1)=b00(ig,m)*gnm(ig,1,1,m)+c00(ig,1)*gnm(ig,1,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:113:29: 110 | do 150 m=2,mmax-1 | 2 ...... 113 | gnm(ig,2,2,m+1)=b00(ig,m)*gnm(ig,2,1,m)+c00(ig,2)*gnm(ig,2,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:114:29: 110 | do 150 m=2,mmax-1 | 2 ...... 114 | gnm(ig,3,2,m+1)=b00(ig,m)*gnm(ig,3,1,m)+c00(ig,3)*gnm(ig,3,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:129:31: 124 | do 180 m=2,mmax-1 | 2 ...... 129 | 2 b00(ig,m )*gnm(ig,1,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:132:31: 124 | do 180 m=2,mmax-1 | 2 ...... 132 | 2 b00(ig,m )*gnm(ig,2,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:135:31: 124 | do 180 m=2,mmax-1 | 2 ...... 135 | 2 b00(ig,m )*gnm(ig,3,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling hnd_giaspd.F... Compiling hnd_jkbcdf.F... Compiling hnd_oechrg.F... Compiling hnd_xyzgia.F... Compiling hnd_giahnd.F... Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... Compiling hnd_spdgia.F... Compiling hnd_pso.F... Compiling hnd_ops.F... Compiling hnd_dso.F... Compiling hnd_wleg.F... Compiling hnd_herxyz.F... Compiling hnd_init_1eelec.F... Compiling hnd_init_dso.F... Compiling hnd_init_1emtpl.F... Compiling hnd_init_pso.F... Compiling hnd_init_ops.F... Compiling hnd_veloc.F... Compiling hnd_angmom.F... Compiling hnd_dipxyz.F... Compiling hnd_init_dip.F... Compiling hnd_giaos100.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Making all in rel make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Compiling int_rel_init.F... Compiling rel_input.F... rel_input.F:80:64: 48 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 ...... 80 | if(.not.rtdb_put(rtdb,'relativistic:clight',mt_dbl,1,clight)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling modelpotential_input.F... Compiling set_modelpotential_params.F... Compiling get_modelpotential_params.F... Compiling calc_modelpotential.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Compiling rel_onel.F... rel_onel.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_onel.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_mpole.F... Compiling rel_pvp.F... Compiling rel_pot.F... Compiling rel_pot2.F... Compiling rel_2e4c_sf.F... Compiling rel_LLSS.F... Compiling rel_SSLL.F... Compiling rel_SSSS.F... Compiling rel_init_con.F... Compiling dmd_input.F... Compiling zora_input.F... Compiling x2c_input.F... Compiling rel_oneld.F... rel_oneld.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_oneld_cosmo.F... rel_oneld_cosmo.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:115:17: 115 | logical doV ! compute potential (True/False) | ^ Warning: 'dov' may be used uninitialized [-Wmaybe-uninitialized] Compiling rel_2e4cd_sf.F... Compiling rel_LLSSd.F... Compiling rel_SSLLd.F... Compiling rel_SSSSd.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Making all in dk make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' Compiling int_1edk_ga.F... int_1edk_ga.F:194:13: 194 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling dk_input.F... dk_input.F:110:61: 108 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 109 | $ call errquit('dk_input: rtdb_put failed', 0, RTDB_ERR) 110 | if (.not. rtdb_put(rtdb, 'doug_kroll:type', mt_int, 1, dk_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... Compiling int_1edkso_ga.F... int_1edkso_ga.F:182:13: 182 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling bas_create_uncont.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a intgrl_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Making libraries in atomscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' Compiling orderd.F... Compiling atcond.F... Compiling denat.F... denat.F:132:56: 121 | if (.not. rtdb_get(rtdb, 'atomscf:special', mt_log, 1, spec)) | 2 ...... 132 | if (.not.rtdb_get(rtdb,'atomscf:z',mt_dbl,num_z,z)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling hamild.F... Compiling outpud.F... Compiling teigd.F... Compiling atomd.F... Compiling denmad.F... Compiling jacod.F... jacod.F:141:72: 141 | f(iebr) = tt*sx - f(iebr)*cx | ^ Warning: 'tt' may be used uninitialized [-Wmaybe-uninitialized] jacod.F:20:49: 20 | real *8 sd, t, dif, t2x2, t2x25, cx, sx, tt | ^ note: 'tt' was declared here Compiling pdfded.F... Compiling tracd.F... Compiling cmergd.F... Compiling densid.F... Compiling densid_z.F... Compiling oeigd.F... Compiling shalfd.F... Compiling trafsd.F... Compiling creded.F... Compiling square.F... Compiling tramad.F... Compiling datoms.F... Compiling guess_mem.F... Compiling starcd.F... Compiling writel.F... Compiling printbasis.F... Compiling atscf_ecp.F... Compiling atscf_atscf.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' Making libraries in ddscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Compiling comp4_bins.F... Compiling rhf_dens_mo.F... Compiling comp4_insert.F... Compiling scf_sym_adap.F... Compiling rhf_fock_2e.F... Compiling scf_lindep.F... scf_lindep.F:69:51: 59 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 2 ...... 69 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, tol)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ga_atom_blk.F... Compiling scf.F... scf.F:193:9: 191 | & cam_exch)) cam_exch=.false. | 2 192 | if (.not.rtdb_get(rtdb, 'scf:cam_omega', mt_dbl, 1, 193 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). scf.F:307:56: 76 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 1)) | 2 ...... 307 | if (.not. rtdb_put(rtdb, 'scf:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling scf_input.F... scf_input.F:52:60: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 52 | if (.not. rtdb_put(rtdb, 'scf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). scf_input.F:79:64: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 79 | if (.not.rtdb_put(rtdb,'scf:level shift info',MT_DBL,6,shifts)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling schwarz_init.F... Compiling vectors_inp.F... vectors_inp.F:234:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 234 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors_inp.F:248:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 248 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling int_1e_ga.F... Compiling schwarz_pr.F... Compiling ga_orth_mos.F... Compiling schwarz_tidy.F... Compiling int2e_balance.F... Compiling vectors.F... vectors.F:1308:40: 1302 | ierr = eaf_read(unitno, offset, len1,lgth) | 2 ...... 1308 | ierr = eaf_read(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:1162:41: 1156 | ierr = eaf_write(unitno, offset, len1,lgth) | 2 ...... 1162 | ierr = eaf_write(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:195:43: 195 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, ddblsize*nbf, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors.F:77:41: 77 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*nsets, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vectors.F:851:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 851 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:868:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 868 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:952:50: 402 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) then | 2 ...... 952 | if (.not. rtdb_get(rtdb, key, mt_log, 1, oconverged)) goto 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling scf_sym_scr.F... Compiling ga_cont_blk.F... Compiling mull_pop.F... mull_pop.F:162:44: 152 | call ga_put(g_nbf,iat,iat,1,1,nbf_at,1) | 2 ...... 162 | call ga_put(g_pop,mu,mu,iat,iat,psmu,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mull_pop.F:177:40: 175 | call ga_get (g_nbf,iat,iat,1,1,nbf_at,1) | 2 176 | do i = 1,nbf_at 177 | call ga_get(g_pop,i,i,iat,iat,pop,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling matrix_exp.F... Compiling scf_pstat.F... Compiling schwarz_max.F... Compiling movecs_proj.F... movecs_proj.F:181:32: 172 | call int_init(rtdb,2,basis_handles) | 2 ...... 181 | call int_init(rtdb, 1, basis) ! WRONG WRONG WRONG | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling movecs_rotate.F... Compiling movecs_molden.F... Compiling ao_fock_2e.F... Compiling movecs_lock.F... movecs_lock.F:77:26: 62 | call ycopy(nmo, evals, 1, dbl_mb(k_e), 1) | 2 ...... 77 | call ycopy(nmo, 0.0d0,0, dbl_mb(k_t), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_2e.F... fock_2e.F:111:49: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:111:55: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:51: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:57: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:50: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:56: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_2e_et.F... Compiling fock_2e_a.F... Compiling print_aoints.F... Compiling fock_2e_b.F... Compiling fock_upd_blk.F... Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... scf_vec_guess.F:113:53: 92 | if(.not.rtdb_get(rtdb,'tolguess',mt_dbl,1,tolguess)) then | 2 ...... 113 | if (.not. rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:134:25: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 134 | & 32, 32, g_movecs)) call errquit('scf_v_g: alpha MOs',0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:141:24: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 141 | & 32,32, g_movecs)) call errquit('scf_v_g: MOs', 0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:145:30: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 145 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:164:14: 159 | if (.not. rtdb_put(rtdb,'scf:tol2e',mt_dbl,1,tol2e)) | 2 ...... 164 | $ odensityscreen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:295:31: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:295:41: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:30: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:45: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:337:33: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 ...... 337 | & g_tmp, g_tmp2, 0.0d0, g_movecs(2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:339:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 339 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:341:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 341 | if (.not. ga_destroy(g_tmp2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf.F... rohf.F:135:14: 135 | $ int_mb(k_irs), nmo) | 1 ...... 311 | call ecce_print1('total dipole', mt_dbl, totalmoments(2), 3) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rohf_nr_sol.F... Compiling rohf_wrap.F... rohf_wrap.F:209:58: 191 | if (.not. rtdb_get(rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 209 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', MT_LOG, 1, ldimqm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rohf_canon.F... rohf_canon.F:90:17: 79 | $ zero, g_movecs) | 2 ...... 90 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:92:17: 79 | $ zero, g_movecs) | 2 ...... 92 | $ zero, crohf_g_fcv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:96:20: 79 | $ zero, g_movecs) | 2 ...... 96 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:98:20: 79 | $ zero, g_movecs) | 2 ...... 98 | $ zero, crohf_g_fcp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:100:20: 79 | $ zero, g_movecs) | 2 ...... 100 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:102:20: 79 | $ zero, g_movecs) | 2 ...... 102 | $ zero, crohf_g_fpv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_k2cf.F... Compiling rohf_precon.F... Compiling rohf_shift.F... Compiling rohf_step.F... Compiling rohf_rotate.F... Compiling scf_get_info.F... scf_get_info.F:363:58: 363 | if (.not. rtdb_get(rtdb, 'fock:task_bf', MT_INT, 1, task_bf)) | 1 ...... 550 | $ MT_LOG, 1, okeep)) okeep = .false. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling rohf_hscale.F... Compiling fock_2e_file.F... Compiling rohf_hxx.F... Compiling rohf_fock.F... rohf_fock.F:255:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:255:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rohf_fock2g.F... Compiling scf_movecs.F... scf_movecs.F:94:40: 16 | $ g_movecs)) | 2 ...... 94 | $ dbl_mb(k_o), dbl_mb(k_e), g_old)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_h1e.F... Compiling rohf_h2e.F... Compiling rohf_hessv2.F... rohf_hessv2.F:293:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 293 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:294:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 294 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:314:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 314 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:315:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 315 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:332:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 332 | $ g_movec, 1, nbf, ooff, oend, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:333:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 333 | $ g_tmp2, 1, nopen, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:487:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 487 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:488:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 488 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:514:33: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 514 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:515:33: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 515 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:532:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 532 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:533:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 533 | $ g_tmp1, 1, nbf, 1, nopen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:551:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 551 | $ g_movec, ooff, oend, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:552:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 552 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_dens.F... Compiling movecs_phase.F... Compiling riscf_fock.F... Compiling riscf_init.F... Compiling riscf_list.F... Compiling riscf_tidy.F... Compiling riscf_trans.F... riscf_trans.F:96:61: 64 | call ga_get (g_indx, i, i, j, j, indx, 1) | 2 ...... 96 | call ga_get (g_Vsqrt, 1, Nff, sfirst, slast, V_row, Nff) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling do_riscf.F... Compiling riscf_dovecs.F... Compiling rohf_scat.F... rohf_scat.F:124:35: 109 | if (.not.int_normalize(rtdb,basis)) | 2 ...... 124 | if (.not. int_normalize(rtdb,all_bas_han)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:148:26: 119 | if (.not. bas_numbf(all_bas_han, nbf_all)) | 2 ...... 148 | if (.not. bas_numbf(basis, nbf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). rohf_scat.F:235:33: 232 | if (.not. bas_ce2bfr(basis, iat, ilo, ihi)) | 2 ...... 235 | if (.not. bas_ce2bfr(all_bas_han, iat, jlo, jhi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:264:25: 146 | call ga_orthog_mos(basis, g_vecs) | 2 ...... 264 | call ga_orthog_mos(all_bas_han, g_all) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:279:40: 133 | g_vecs = ga_create_atom_blocked(geom,basis,'Molecular orbital') | 2 ...... 279 | & ga_create_atom_blocked(geom, all_bas_han, 'rohf: cdens') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling uhf.F... uhf.F:2010:31: 429 | call movecs_fix_phase(g_movecs) | 2 ...... 2010 | call movecs_fix_phase(g_u) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1696:11: 361 | if (.not.rtdb_get(rtdb, 'scf:noscf', mt_log, 1, noscf)) | 2 ...... 1696 | $ max_precond_sub)) max_precond_sub = 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). uhf.F:813:23: 397 | call ga_print(g_movecs) | 2 ...... 813 | call ga_print(g_a_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:814:23: 397 | call ga_print(g_movecs) | 2 ...... 814 | call ga_print(g_b_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1005:23: 397 | call ga_print(g_movecs) | 2 ...... 1005 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1006:23: 397 | call ga_print(g_movecs) | 2 ...... 1006 | call ga_print(g_a_exch) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1217:23: 397 | call ga_print(g_movecs) | 2 ...... 1217 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1218:23: 397 | call ga_print(g_movecs) | 2 ...... 1218 | call ga_print(g_b_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1229:23: 397 | call ga_print(g_movecs) | 2 ...... 1229 | call ga_print(cuhf_g_falpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1230:23: 397 | call ga_print(g_movecs) | 2 ...... 1230 | call ga_print(cuhf_g_fbeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1591:32: 397 | call ga_print(g_movecs) | 2 ...... 1591 | if (odebug) call ga_print(g_grad) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling uhf_hessv.F... Compiling fock_2e_rep.F... Compiling uhf_hessv2.F... Compiling print_integ_list.F... Compiling print_1eints.F... Compiling riscf_square.F... riscf_square.F:75:57: 50 | call ga_get (g_indx, 1, ish, ish, ish, indx, ish) | 2 ...... 75 | call ga_get (g_three, first, last, in, in, three, nint) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling riscf_io.F... Compiling movecs_pr_anal.F... Compiling rohf_lagr.F... Compiling rohf_diis.F... rohf_diis.F:164:23: 164 | $ g_movecs, 0.d0, g_tmp ) | 1 ...... 414 | $ g_tmp2, 0.d0, g_tmp1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:167:54: 167 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_movecs, | 1 ...... 413 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_fock, | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:174:34: 174 | call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, | 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) Compiling rhf_fock.F... Compiling multipole.F... Compiling ga_mat_to_vec.F... Compiling movecs_frag.F... movecs_frag.F:84:63: 56 | $ call errquit('movecs_fragment: no fragment info?',0, | 2 ...... 84 | $ call errquit('movecs_fragment: GA for frag MOs', nmo_frag, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling localize.F... localize.F:78:24: 78 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 519 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:80:24: 80 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 615 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:85:24: 85 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 519 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:87:24: 87 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 615 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:126:39: 126 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:136:36: 136 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:145:36: 145 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:195:39: 195 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:205:36: 205 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:214:36: 214 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:760:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 760 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) localize.F:905:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 905 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling int_dip_ga.F... Compiling fock_xc.F... fock_xc.F:117:54: 103 | & calc_type)) then | 2 ...... 117 | if (.not.rtdb_get(rtdb, 'dft:cgmin', mt_log, 1, lcgmin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). fock_xc.F:194:28: 194 | = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:205:44: 205 | int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:359:33: 359 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:360:12: 360 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:366:33: 366 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:367:12: 367 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_j_fit.F... fock_j_fit.F:17:45: 17 | call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) | 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) Compiling rohf_jkfac.F... Compiling uhf_jkfac.F... Compiling rohf_hessv3.F... rohf_hessv3.F:862:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 862 | call nga_copy_patch('N',g_fock(ipm),alo,ahi,g_tmp1,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:863:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 863 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:882:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 882 | & g_tmp2,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:883:56: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 883 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcp,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:888:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 888 | & g_tmp3,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:890:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 890 | & g_dpv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:69:17: 69 | $ pflg, g_movecs, oskel, noskew, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling fock_2e_cam.F... fock_2e_cam.F:118:49: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:118:55: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:51: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:57: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:50: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:56: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_get2eri.F... Compiling scf_frozemb.F... Compiling print_integrals.F... Compiling rohf_hessv2_ext.F... Compiling rohf_hessv3_ext.F... rohf_hessv3_ext.F:88:11: 88 | & g_movecs, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) rohf_hessv3_ext.F:429:11: 429 | & g_movecs, ! in : MO coefficients | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling uhf_hessv2_ext.F... uhf_hessv2_ext.F:4115:72: 4115 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) uhf_hessv2_ext.F:2779:72: 2779 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling uhf_precond_ext.F... Compiling scf_dump_evp_input.F... Compiling cosmo_fock.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Compiling fock_2e_task.F... Compiling fock_2e_slab.F... Compiling fock_2e_lab.F... fock_2e_lab.F:1609:46: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:1609:52: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:50: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:56: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) Compiling fock_labscal.F... Compiling fock_2e_c.F... Compiling fock_scale.F... Compiling fock_densc.F... Compiling schwarz_atom.F... Compiling comp4_ext.F... Compiling schwarz_sh.F... Compiling int2e_file.F... Compiling ao_replicated.F... ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ilo' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:17: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ilo' declared here ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ihi' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:22: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Making all in fast make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' Compiling xlm_poles.F... Compiling cheby.F... Compiling fastj.F... fastj.F:170:11: 158 | if (.not. rtdb_get(rtdb, 'fastj:depth', mt_int, 1, depth)) | 2 ...... 170 | $ oversample)) oversample = 1.8d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). fastj.F:1994:36: 650 | $ radial*double_factorial(n+l+1)/ | 2 ...... 1994 | $ 2d0*log(double_factorial(n))+ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). fastj.F:1639:72: 1639 | dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid | ^ Warning: 'potgrid' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:1256:47: 1256 | double precision x, y, z, potfmm, potgrid, fact | ^ note: 'potgrid' was declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nx' is used uninitialized [-Wuninitialized] fastj.F:503:19: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nx' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'ny' is used uninitialized [-Wuninitialized] fastj.F:503:23: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'ny' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nz' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:503:27: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nz' declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'z' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:42: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'z' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'y' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:39: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'y' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'x' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:36: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'x' was declared here Compiling anlfit.F... anlfit.F:615:72: 615 | D(1)=PTWO | ^ Warning: 'ptwo' may be used uninitialized [-Wmaybe-uninitialized] anlfit.F:598:42: 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here Compiling cart_trans.F... Compiling gauleg.f... Compiling solver.F... solver.F:1030:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1031:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy 1031 | zp(j,i) = zz | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1055:34: 1054 | do j = 0, lmax | 2 1055 | yf(j) = yf(j) + yp(j,l)*f(l,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1060:46: 1058 | do k = 0,lmax | 2 1059 | do j = 0,lmax 1060 | q2d(j,k) = q2d(j,k) + yf(j)*zp(k,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:99:72: 99 | $ write(6,15) etime(tt) - start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] solver.F:34:32: 34 | real*4 etime, tt(2), start | ^ note: 'start' was declared here Compiling vsint.F... vsint.F:999:72: 999 | n4=n5 | ^ Warning: 'n5' is used uninitialized [-Wuninitialized] vsint.F:999:11: 999 | n4=n5 | ^ note: 'n5' was declared here Compiling pot_shell.F... pot_shell.F:88:52: 88 | double precision qm2, qm1, q0, qp1, qp2, start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] Compiling fastj_direct.F... Compiling fastj_range.f... Compiling newfmm.F... newfmm.F:1152:26: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). newfmm.F:1152:30: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'zo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:45: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'zo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'yo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:41: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'yo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'xo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:37: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'xo' was declared here Compiling potential.F... Compiling sint.F... sint.F:146:72: 146 | CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) sint.F:25:72: 25 | CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o cosmo_fock.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Making libraries in gradients make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Compiling gradients.F... Compiling grad_force.F... grad_force.F:252:63: 226 | if (.not. rtdb_get(rtdb,'slv:cosmo',mt_log,1,ocosmo)) then | 2 ...... 252 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grad1.F... Compiling scf_gradient.F... Compiling grad_dens.F... Compiling grad_inp.F... grad_inp.F:45:62: 40 | $ checkpoint)) | 2 ...... 45 | 200 if (.not. rtdb_put(rtdb,'gradients:restart', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling ga_reorder.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Compiling grad2.F... Compiling grad_getdens.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Making libraries in moints make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Compiling atwtest.F... Compiling direct_mp2.F... direct_mp2.F:118:58: 59 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 118 | if (.not. rtdb_get(rtdb, 'dft:energy', MT_DBL, 1, scf_energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mointdriver.F... mointdriver.F:96:28: 90 | if (.not. rtdb_get(rtdb, 'mp2:aotol2e', mt_dbl, 1, tol2e)) | 2 ...... 96 | $ 1, odisk)) odisk = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling moints_1e.F... Compiling moints_dbg.F... Compiling moints_gsh1.F... Compiling moints_mem.F... Compiling moints_mp2.F... moints_mp2.F:167:54: 163 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 2 ...... 167 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling moints_stats.F... moints_stats.F:54:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 54 | call ga_dgop(msg_moints_stats_2,mi_maxsynch,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:55:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 55 | call ga_dgop(msg_moints_stats_3,mi_minsynch,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:56:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 56 | call ga_dgop(msg_moints_stats_4,mi_maxtask,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:57:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 57 | call ga_dgop(msg_moints_stats_5,mi_mintask,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_full.F... moints_full.F:886:42: 626 | call ga_get(g_coul, 1, nact2, ij, ij, g, 1) | 2 ...... 886 | call ga_get(g_tmp, 1, nbf, i, i, work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:887:52: 710 | call ga_put(g_mofock, 1, hi, i, i, buf, 1) | 2 ...... 887 | call ga_put(g_vecs,1, nbf, map(i), map(i), work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:192:11: 103 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 192 | $ occ_frozen)) occ_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). moints_full.F:374:72: 374 | $ nsym, sym_lo, sym_hi) | 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) Compiling sifs0.F... Compiling sifs1.F... sifs1.F:1371:13: 911 | & fcore, ibitv, ierr ) | 2 ...... 1371 | & wdummy, idummy, ierr ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Compiling moints_cutil.c... Compiling moints_aodisk.F... moints_aodisk.F:1719:22: 1719 | if (.not.(sprs_verify(llen,klen,itmp(1), | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:922:23: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_aodisk.F:922:34: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(8) moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1165:38: 1165 | call icopy( 1, iorec(1), 1, nexthdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1172:41: 1172 | 101 call icopy( 1, iorec(nexthdrp), 1, magic, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1285:72: 1285 | $ ssbb(lblo,kblo,j,i) ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:1606:29: 1606 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1614:72: 1614 | call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1566:35: 1566 | call icopy(1, iorec(1), 1, hdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1652:29: 1652 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1660:18: 1660 | if (.not.(ao_ijverify( ilen, jlen, klen, llen, | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(8) to INTEGER(2) Compiling moints_2x.F... Compiling moints_6x.F... Compiling moints_semi.F... moints_semi.F:1255:33: 1184 | if (eaf_read(munit, faddr, t, rlen).ne.0) | 2 ...... 1255 | if (eaf_read(munit, ioptr, v, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:307:34: 307 | if (eaf_write(kunit, 0.d0, vtmp, | 1 ...... 959 | ierr=eaf_write(munit, faddr, dbl_mb(k_local+ooffset), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:321:60: 163 | if (rtdb_get(rtdb, 'mp2:mxrlen', mt_int, 1, mxrlen_in)) | 2 ...... 321 | if (.not. rtdb_get(rtdb, 'mp2:copyback', mt_log, 1, mp2cpybck)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). moints_semi.F:1116:42: 849 | call ga_put( g_buf, ijolo, ijohi, 1, nvir, h2, nij ) | 2 ...... 1116 | call ga_put(g_epair,1,1,oj,oj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_aux2.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Making libraries in nwdft make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Compiling nwdft.F... nwdft.F:224:57: 171 | if (rtdb_get(rtdb,'dyall_mod_dir',mt_log,1,dyall_mod_dir)) then | 2 ...... 224 | if(.not.rtdb_get(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Making all in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' Making all in input_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Compiling dft_inpana.F... dft_inpana.F:1087:28: 1069 | if (.not. rtdb_put(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 1087 | & mt_dbl, numfunc, cfac(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_inpana.F:1108:55: 1066 | if(rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) then | 2 ...... 1108 | if (.not.rtdb_get(rtdb, 'scf:thresh', MT_DBL, 1, thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_rdinput.F... dft_rdinput.F:99:52: 73 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 99 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, rcharge))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_rdinput.F:206:23: 110 | & mt_log, 1, nodamping)) | 2 ...... 206 | & mt_int, 1, iterations)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_input.F... dft_input.F:184:53: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 184 | if (.not. rtdb_put(rtdb, 'dft:direct',mt_log,1,direct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:348:59: 113 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 348 | if (.not. rtdb_get(rtdb, 'dft:gonwxc', mt_log, 1, gonwxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:483:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 483 | & nmo_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:486:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 486 | & ncore_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:619:24: 416 | 2200 if (.not. inp_f(smear_sigma)) then | 2 ...... 619 | if (.not. inp_f(alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_input.F:924:52: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 924 | if (.not.rtdb_put(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:926:50: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 926 | if (.not.rtdb_put(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tol_inp.F... tol_inp.F:70:57: 56 | if (.not. rtdb_put(rtdb, 'dft:ltight', mt_log, 1, ltight)) | 2 ...... 70 | if (.not. rtdb_put(rtdb, 'dft:tol_rho', mt_dbl, 1, tol_rho)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_inp.F... grid_inp.F:144:60: 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) | 2 ...... 144 | if (.not. rtdb_put(rtdb, 'dft:nradpts', mt_int, 1, nradpts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling xc_inp.F... xc_inp.F:4094:55: 3890 | if (.not.rtdb_put(rtdb,'dft:ivdw', mt_int, 1, ivdw)) | 2 ...... 4094 | if (.not. rtdb_put(rtdb,'dft:mp2fac', mt_dbl, 1, mp2fac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling conv_inp.F... conv_inp.F:191:55: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dft:ncydp', mt_int, 1, ncydp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). conv_inp.F:391:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 391 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) conv_inp.F:407:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 407 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cdft_inp.F... cdft_inp.F:71:54: 32 | if (.not.rtdb_get(rtdb,'dft:grid_make_sa',mt_log,1,grid_make_sa)) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cdft_inp.F:89:53: 66 | if (.not. rtdb_put(rtdb,'dft:dl_conv', mt_dbl, 1, dl_conv)) | 2 ...... 89 | if (.not. rtdb_put(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling occup_input.F... occup_input.F:196:52: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 195 | & call errquit(pname//'rtdb_put failed', 1201, RTDB_ERR) 196 | if (.not. rtdb_put(rtdb,'focc:occup',mt_int,2,nfocc_in)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) occup_input.F:199:23: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 ...... 199 | & mt_dbl,nfocc,dbl_mb(k_occ))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Making all in scf_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Compiling dft_swapab.F... Compiling dft_main0d.F... dft_main0d.F:118:59: 115 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, 0.d0)) | 2 ...... 118 | if (.not. rtdb_put(rtdb, 'dft:converged', MT_LOG, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_main0d.F:140:50: 134 | if (.not. rtdb_get(rtdb, 'dft:scalanb',mt_int,1,nb)) | 2 ...... 140 | if(rtdb_get(rtdb,'bgj:xc_active', MT_LOG, 1,xc_active)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_scf.F... dft_scf.F:276:43: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 276 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_scf.F:405:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 405 | & nmo_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:408:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 408 | & ncore_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:459:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 459 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:755:61: 363 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 755 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:1125:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1125 | $ rtdb_get(rtdb,'dft:iatms1', mt_int, nconstr,iatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1126:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1126 | $ .and. rtdb_get(rtdb,'dft:iatms2', mt_int, nconstr,iatms2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1127:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1127 | $ .and. rtdb_get(rtdb,'dft:fatms1', mt_int, nconstr,fatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1128:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1128 | $ .and. rtdb_get(rtdb,'dft:fatms2', mt_int, nconstr,fatms2) )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1132:61: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1132 | if (.not. rtdb_get(rtdb,'dft:dtype', mt_int, nconstr,dtype)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1773:32: 1771 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1772 | call ecce_print1 ('iterative total energy difference', 1773 | & mt_dbl, delta, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:2466:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2466 | if (.not. rtdb_get(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:2468:51: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2468 | if (.not. rtdb_get(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling print_irrep_occp.F... Compiling dft_fockbld.F... dft_fockbld.F:125:42: 120 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 125 | $ rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_fockbld.F:392:39: 293 | if (.not.ga_duplicate(g_focks(1),g_cosmo,'cosmo')) | 2 ...... 392 | if(.not.ga_duplicate(g_vxc(1), g_vdim, 'dim:1')) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:394:21: 195 | call ga_zero(g_fock) | 2 ...... 394 | call ga_zero(g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:397:34: 212 | Ecore = ga_ddot(g_dens(1), g_fock) | 2 ...... 397 | Edim = ga_ddot(g_dens(1), g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:646:27: 323 | call ga_dadd(1d0, g_dens(1), -1d0, g_dens(2), g_dens(1)) | 2 ...... 646 | call ga_dadd(1.d0, g_vdim, 1.d0, g_focks(1), g_focks(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:650:29: 300 | if (.not.ga_destroy(g_cosmo)) | 2 ...... 650 | if (.not. ga_destroy(g_vdim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_scfutil.F... dft_scfutil.F:109:72: 109 | & 1, 1, nbf_ao, 1, 1) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_scfutil.F:153:58: 151 | & frac_occ )) frac_occ=.false. | 2 152 | c 153 | if (.not.rtdb_get(rtdb,'focc:occup_switch',mt_int,1,ifocc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_symbr.F... Compiling dft_pstat.F... Compiling fukui.F... Compiling dft_canorg.F... dft_canorg.F:221:53: 212 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, toll_s).or. | 2 ...... 221 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dft_diagn.F... Compiling dft_dump_info.F... Compiling dft_fant.F... Compiling dft_printinfo.F... Compiling dft_fock_efield.F... dft_fock_efield.F:95:72: 95 | $ call errquit (pname//"invalid negative exp_cutoff") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_frac_mo.F... dft_frac_mo.F:59:9: 44 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) ! read both nfocc_in(1) and nfocc_in(2) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_nwmolden.F... dft_nwmolden.F:98:30: 57 | call ga_brdcst(2020, io_res, inntsize, 0) | 2 ...... 98 | call ga_brdcst(1984, eval, ispin, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_spinflip.F... Compiling dft_quickguess.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Compiling dft_dencvg.F... Compiling dft_densm.F... dft_densm.F:103:59: 103 | status=rtdb_get(rtdb,'focc:occup_switch', mt_int,1,switch_focc) | 1 ...... 510 | if (.not. rtdb_get(rtdb, 'dft:debugfon', mt_log, 1, debug)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_densm.F:147:31: 147 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 1 ...... 451 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_invdiag.F... Compiling dft_mxovl.F... Compiling dft_mxspin_ovlp.F... Compiling dft_s2_value.F... Compiling dft_scfcvg.F... Compiling diis_bld12.F... Compiling diis_bsolve.F... Compiling diis_core.F... Compiling diis_driver.F... Compiling diis_hamwgt.F... Compiling dft_fdist_init.F... Compiling cdft_util.F... cdft_util.F:965:11: 429 | if (.not. rtdb_get(rtdb, 'dft:nconstr', mt_int, 1, nconstr)) | 2 ...... 965 | $ multipliers(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Making all in scf_dft_cg make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Compiling dft_cscf.F... Compiling dft_cg_answer.F... dft_cg_answer.F:39:56: 33 | if (.not. rtdb_put(rtdb,'scf:nclosed', mt_int, 1, nclosed)) | 2 ...... 39 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_cg_info.F... dft_cg_info.F:54:11: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 54 | $ nr_gswitch)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_cg_info.F:60:56: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 60 | if (.not.rtdb_get(rtdb, 'dft:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_cg_info.F:72:55: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 72 | if (.not. rtdb_get(rtdb, 'dft:tol2e', MT_DBL, 1, tol2e)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_cg_guess.F... Compiling dft_cg_solve.F... dft_cg_solve.F:120:11: 113 | if (.not.rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) fon=.false. | 2 ...... 120 | & ssmear))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_get_conv_info.F... Compiling dft_roks_energy.F... dft_roks_energy.F:108:45: 102 | $ rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 108 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling dft_roks_fock.F... dft_roks_fock.F:384:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:384:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:450:58: 259 | if (.not. rtdb_put(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) | 2 ...... 450 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling dft_roks_hessv_2e.F... dft_roks_hessv_2e.F:298:57: 282 | & calc_type)) then | 2 ...... 298 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_roks_hessv.F... Compiling dft_roks_hessv_xx.F... Compiling dft_roks_nr_solve.F... Compiling dft_roks_search_precond.F... Compiling dft_roks_step_energy.F... Compiling dft_uks_energy.F... dft_uks_energy.F:331:49: 72 | & 'cphf_solve:cphf_uhf', mt_log, 1, cphf_uhf)) then | 2 ...... 331 | if (rtdb_get(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_uks_hessv_2e.F... Compiling dft_uks_hessv.F... Compiling dft_uks_nr_solve.F... Compiling dft_uks_search_precond.F... Compiling dft_uks_step_energy.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Making all in so_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Compiling dft_scf_so.F... dft_scf_so.F:311:37: 305 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 311 | $ (rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_scf_so.F:708:60: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 708 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:1289:48: 1254 | call int_1e_ga(ao_bas_han, ao_bas_han, g_fock, 'kinetic', oskel) | 2 ...... 1289 | call int_1e_ga(ao_bas_han, ao_bas_han, g_so, 'so', oskel) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:1886:32: 1884 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1885 | call ecce_print1 ('iterative total energy difference', 1886 | & mt_dbl, -etold+etnew, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:2326:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2326 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:2351:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2351 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_densmso.F... Compiling dft_mxovlso.F... Compiling grad_force_so.F... grad_force_so.F:269:63: 267 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 268 | $ ocdfit = .false. 269 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_gradients_so.F... dft_gradients_so.F:486:34: 484 | call intdd_init(rtdb,2,nmo) | 2 485 | else 486 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients_so.F:526:33: 524 | call intd_init(rtdb,2,nmo) | 2 525 | else 526 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling vectors_so.F... vectors_so.F:164:43: 164 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob(nbf), 0) | 1 ...... 821 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob(1), 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors_so.F:264:48: 264 | $ 'movecs_gather_so: ga_destroy failed', g_tmp, GA_ERR) | 1 ...... 808 | $ call errquit('matrix_fwrite: ma failed', nrow, MA_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grad_dens_so.F... Compiling grad1_so.F... Compiling diis_driver_so.F... Compiling diis_bsolve_so.F... Compiling diis_bld12_so.F... Compiling diis_core_so.F... Compiling diis_hamwgt_so.F... Compiling diis_refvec_so.F... diis_refvec_so.F:29:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 29 | call ga_get(g_err(1),1,i-1,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:30:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 30 | call ga_get(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:31:41: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 31 | call ga_get(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:32:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 32 | call ga_get(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:42:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 42 | call ga_put(g_err(1),1,i,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:43:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 43 | call ga_put(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:44:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 44 | call ga_put(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:45:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 45 | call ga_put(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling movecs_anal_so.F... movecs_anal_so.F:464:49: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) movecs_anal_so.F:464:56: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling getv_coul.F... Compiling getv_exch0.F... Compiling getv_exchX.F... Compiling getv_exchY.F... Compiling getv_exchZ.F... Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... sym_mo_adapt_so.F:436:30: 435 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 436 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_char_tab_so.F... Compiling scf_sym_adap_so.F... Compiling sym_mo_ap_op_so.F... Compiling sym_op_clsfy_so.F... Compiling ga_orth_mos_so.F... Compiling ga_orthog_so.F... Compiling sym_op_cname_so.F... Compiling grad_dens_so2.F... Compiling dft_scf_utils_so.F... Compiling dft_frac_mo_so.F... dft_frac_mo_so.F:59:9: 48 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling xc_exso.F... Compiling getv_coul_cd.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Making all in coulomb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Compiling dft_3cincor.F... dft_3cincor.F:91:26: 91 | integer size_atblock | ^ Warning: 'size_atblock' may be used uninitialized [-Wmaybe-uninitialized] Compiling dft_mem3c.F... Compiling dft_fitcd.F... dft_fitcd.F:93:33: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 92 | else 93 | call ycopy(nbf_cd*nfit, 0.D0, 0, Dbl_MB(iTvec), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_fitcd.F:202:25: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 ...... 202 | call ycopy(nbf_cd,0.D0,0,dbl_mb(iTcgtf),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_fitvc.F... Compiling dft_genspm.F... Compiling dft_get2eri.F... Compiling dft_getspm.F... Compiling dft_getvc.F... Compiling dft_n3c.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Making all in xc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /usr/lib64/openmpi/include/ga-wapi.h: No such file or directory Compiling xc_getv.F... Compiling xc_getvxc.F... Compiling xc_exact_pot.F... Compiling xc_sicutil.F... Compiling chk_dens.F... Compiling xc_util.F... xc_util.F:368:55: 363 | xc_getxcfac=rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, | 2 ...... 368 | if(.not.rtdb_get(rtdb, 'dft:libxcon', mt_log, 1, dolibxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). xc_util.F:463:54: 455 | if (.not.rtdb_put(rtdb,'dft:cam_exch', mt_log, 1, cam_exch)) | 2 ...... 463 | if (.not.rtdb_put(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling xc_chkdispauto.F... Compiling xc_vdw_init.F... Compiling 2ndDerivB97.c... 2ndDerivB97.c: In function 'dft_xckernel_cb97_': 2ndDerivB97.c:499:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ 2ndDerivB97.c:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ 2ndDerivB97.c:673:43: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 673 | FC[ _FXC_RA ] = ScalGGAC*(Gec_a0_ra*gcaa + ec_a0*Ggc_aa_ra + 0.0 + Gec_ab_ra*gcab + ec_ab*Ggc_ab_ra); | ~~~~~~~~~^~~~~ 2ndDerivB97.c:500:10: note: 'Gec_a0_ra' was declared here 500 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ 2ndDerivB97.c:675:38: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 675 | FC[ _FXC_RB ] = ScalGGAC*(0.0 + Gec_b0_rb*gcbb + ec_b0*Ggc_bb_rb + Gec_ab_rb*gcab + ec_ab*Ggc_ab_rb); | ~~~~^~~~~~~~~~~~~~~~ 2ndDerivB97.c:501:10: note: 'Gec_b0_rb' was declared here 501 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /usr/lib64/openmpi/include/ga-wapi.h: No such file or directory Compiling xc_eval_basis.F... xc_eval_basis.F:2530:20: 1031 | call ycopy(nq, drad, 1, chi, 1) | 2 ...... 2530 | call ycopy(nq,0d0,0,crad,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling a_dist.F... Compiling eumac.F... Compiling qdist.F... Compiling scat_mat.F... Compiling setACmat.F... Compiling xc_becke88.F... Compiling xc_dirac.F... Compiling xc_bnl.F... Compiling xc_dirac_screened.F... Compiling xc_fitv.F... Compiling xc_hfexch.F... Compiling xc_lebedev.F... Compiling xc_lyp88.F... Compiling xc_perdew86.F... Compiling xc_perdew91.F... Compiling xc_pw91lda.F... Compiling xc_pw91ldag.F... Compiling xc_rhogen.F... Compiling xc_tabcd.F... Compiling xc_vwn_1.F... Compiling xc_vwn_1_rpa.F... Compiling xc_vwn_2.F... Compiling xc_vwn_3.F... Compiling xc_vwn_4.F... Compiling xc_vwn_5.F... Compiling xc_eval_fnl.F... xc_eval_fnl.F:2046:29: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'laprho' at (1) (rank-1 and scalar) xc_eval_fnl.F:2046:43: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'lmat' at (1) (rank-1 and scalar) Compiling xc_fd.F... Compiling xc_pbe96.F... xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1062:29: 1062 | if (id_cpbe.eq.1.or.id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:1429:72: 1429 | if (ipol.eq.2) Amat(n,2) = Amat(n,2) + dnepscdn(2)*fac | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ note: 'fac' was declared here xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ Warning: 'dfatnumdt' is used uninitialized [-Wuninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ Warning: 'dfatnumda' is used uninitialized [-Wuninitialized] xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1062:29: 1062 | if (id_cpbe.eq.1.or.id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:1085:72: 1085 | fAtden3 = fAtden2*fAtden | ^ Warning: 'fatden2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:124:30: 124 | double precision fAtden2 | ^ note: 'fatden2' was declared here xc_pbe96.F:1155:72: 1155 | 8 (fAtden4) | ^ Warning: 'dfatnumdt' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumdt' was declared here xc_pbe96.F:1181:72: 1181 | B (fAtden4) | ^ Warning: 'dfatnumda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumda' was declared here xc_pbe96.F:1169:72: 1169 | D + d3fAtnumdt2dA/fAtden | ^ Warning: 'd2fatnumdtda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:48: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdtda' was declared here xc_pbe96.F:1155:72: 1155 | 8 (fAtden4) | ^ Warning: 'd2fatnumdt2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:34: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdt2' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1062:29: 1062 | if (id_cpbe.eq.1.or.id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_hcth.F... Compiling xc_xpbe96.F... Compiling xc_xpw91.F... Compiling xc_tarad.F... Compiling xc_murakn.F... Compiling xc_mitani.F... Compiling xc_mitani_dmr.F... Compiling xc_signf.F... Compiling xc_gill96.F... Compiling xc_xmpw91.F... Compiling xc_xpkzb99.F... Compiling xc_cpkzb99.F... Compiling xc_cMpbe96.F... Compiling xc_xtpss03.F... Compiling xc_ctpss03.F... Compiling xc_oep.F... Compiling xc_sic_pert.F... Compiling xc_sic.F... Compiling localize_sic.F... Compiling xc_optx.F... Compiling xc_optc.F... Compiling xc_atomblock.F... Compiling xc_replicated.F... Compiling xc_ft97.F... Compiling xc_lb94.F... Compiling xc_cs00.F... Compiling xc_op.F... Compiling xc_kop.F... Compiling xc_bc95.F... Compiling xc_xm05.F... xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at9' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:66: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at9' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at8' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:61: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at8' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at7' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:56: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at7' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at6' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:51: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at6' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at5' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:46: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at5' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at4' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:41: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at4' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at3' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:36: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at3' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at2' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:31: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at2' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at11' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:37: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at11' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at10' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:31: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at10' was declared here xc_xm05.F:53:26: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at1' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cm05.F... xc_cm05.F:339:72: 339 | W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) | ^ Warning: 'sss4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:54: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss4' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:48: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss3' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:42: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss2' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:36: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss1' was declared here xc_cm05.F:229:72: 229 | dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) | ^ Warning: 'sopp4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:61: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp4' was declared here xc_cm05.F:229:72: 229 | dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) | ^ Warning: 'sopp3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:54: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp3' was declared here xc_cm05.F:229:72: 229 | dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) | ^ Warning: 'sopp2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:47: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp2' was declared here xc_cm05.F:229:72: 229 | dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) | ^ Warning: 'sopp1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:41: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp1' was declared here Compiling xc_xpw6.F... Compiling xc_xvs98.F... Compiling xc_cvs98.F... Compiling xc_xm06.F... Compiling xc_cm06.F... Compiling xc_spbe96.F... Compiling xc_kt1.F... Compiling xc_ssbD_1.F... Compiling xc_s12x.F... Compiling xc_cams12x.F... Compiling xc_camb88.F... Compiling xc_att_xc.F... Compiling xc_camxpbe96.F... Compiling xc_camxlsd.F... Compiling xc_xwpbe.F... Compiling hse08fx.F... Compiling xc_xsogga.F... xc_xsogga.F:177:72: 177 | fb5 = CxB5 *Fexp**F5 | ^ Warning: 'cxb5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:52: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb5' was declared here xc_xsogga.F:176:72: 176 | fb4 = CxB4 *Fexp**F4 | ^ Warning: 'cxb4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:47: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb4' was declared here xc_xsogga.F:360:72: 360 | fb3 = CxB3 *Fexp**F3 | ^ Warning: 'cxb3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:42: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb3' was declared here xc_xsogga.F:359:72: 359 | fb2 = CxB2 *Fexp**F2 | ^ Warning: 'cxb2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:37: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb2' was declared here xc_xsogga.F:57:32: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:171:72: 171 | fa5 = CxA5 *Ffrac**F5 | ^ Warning: 'cxa5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:52: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa5' was declared here xc_xsogga.F:170:72: 170 | fa4 = CxA4 *Ffrac**F4 | ^ Warning: 'cxa4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:47: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa4' was declared here xc_xsogga.F:354:72: 354 | fa3 = CxA3 *Ffrac**F3 | ^ Warning: 'cxa3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:42: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa3' was declared here xc_xsogga.F:353:72: 353 | fa2 = CxA2 *Ffrac**F2 | ^ Warning: 'cxa2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:37: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa2' was declared here xc_xsogga.F:56:32: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:27: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa0' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_xmvs15.F... Compiling xc_xm11.F... Compiling xc_xmn12.F... Compiling xc_xmn15.F... Compiling xc_csogga.F... xc_csogga.F:199:72: 199 | fb5 = CcB(5) *Fexp**F5 | ^ Warning: 'ccb[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[5]' was declared here xc_csogga.F:198:72: 198 | fb4 = CcB(4) *Fexp**F4 | ^ Warning: 'ccb[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[4]' was declared here xc_csogga.F:197:72: 197 | fb3 = CcB(3) *Fexp**F3 | ^ Warning: 'ccb[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[3]' was declared here xc_csogga.F:196:72: 196 | fb2 = CcB(2) *Fexp**F2 | ^ Warning: 'ccb[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[2]' was declared here xc_csogga.F:65:40: Warning: 'ccb[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:193:72: 193 | fa5 = CcA(5) *Ffrac**F5 | ^ Warning: 'cca[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[5]' was declared here xc_csogga.F:192:72: 192 | fa4 = CcA(4) *Ffrac**F4 | ^ Warning: 'cca[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[4]' was declared here xc_csogga.F:191:72: 191 | fa3 = CcA(3) *Ffrac**F3 | ^ Warning: 'cca[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[3]' was declared here xc_csogga.F:190:72: 190 | fa2 = CcA(2) *Ffrac**F2 | ^ Warning: 'cca[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[2]' was declared here xc_csogga.F:65:31: Warning: 'cca[1]' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cm11.F... Compiling steric_energy.F... Compiling xc_3rd_deriv.F... Compiling xc_xpw86.F... Compiling xc_xb86b.F... Compiling xc_xdm.F... xc_xdm.F:29:56: 25 | & lxdm)) lxdm = 0 | 2 ...... 29 | if (.not. rtdb_get(rtdb,'dft:xdmsave', mt_log, 1, savedvml)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling ts_eval_fnl.F... Compiling ts_tf.F... Compiling ts_vw.F... Compiling xc_xn12.F... xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc33' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:211:11: 211 | CC33 = -2.41834D+00 | ^ note: 'cc33' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc32' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:210:11: 210 | CC32 = 7.61661D+01 | ^ note: 'cc32' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc31' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:209:11: 209 | CC31 = -3.44631D+01 | ^ note: 'cc31' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc30' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:208:11: 208 | CC30 = 4.03611D-01 | ^ note: 'cc30' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc23' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:207:11: 207 | CC23 = 1.42738D+02 | ^ note: 'cc23' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc22' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:206:11: 206 | CC22 = -1.66220D+02 | ^ note: 'cc22' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc21' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:205:11: 205 | CC21 = 5.13392D+01 | ^ note: 'cc21' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc20' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:204:11: 204 | CC20 = -3.90755D-01 | ^ note: 'cc20' was declared here xc_xn12.F:290:72: 290 | $ 3.0d0*CC32*FV**2*U**2+3.0d0*CC33*FV**2*U**3 | ^ Warning: 'cc13' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:203:11: 203 | CC13 = -7.01726D+01 | ^ note: 'cc13' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc12' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:202:11: 202 | CC12 = 6.50814D+01 | ^ note: 'cc12' was declared here xc_xn12.F:290:72: 290 | $ 3.0d0*CC32*FV**2*U**2+3.0d0*CC33*FV**2*U**3 | ^ Warning: 'cc11' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:201:11: 201 | CC11 = -1.71008D+01 | ^ note: 'cc11' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc10' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:200:11: 200 | CC10 = 8.60211D-02 | ^ note: 'cc10' was declared here xc_xn12.F:199:11: 199 | CC03 = 1.28887D-01 | ^ Warning: 'cc03' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:198:11: 198 | CC02 = 1.68233D-01 | ^ Warning: 'cc02' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:197:11: 197 | CC01 = 5.07880D-01 | ^ Warning: 'cc01' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:196:11: 196 | CC00 = 1.00000D+00 | ^ Warning: 'cc00' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_xscan.F... xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[6]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[6]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[5]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[4]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[3]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[2]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[1]' was declared here xc_xscan.F:232:72: 232 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:145:31: 145 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_xscan.F:281:72: 281 | Fx = G*(H + Fa*(rH0 - H)) | ^ Warning: 'fa' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:149:29: 149 | double precision Fx, Fa | ^ note: 'fa' was declared here xc_xscan.F:323:72: 323 | dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 | ^ Warning: 'exp5' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:51: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp5' was declared here xc_xscan.F:323:72: 323 | dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 | ^ Warning: 'exp4' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:45: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp4' was declared here xc_xscan.F:145:42: 145 | double precision regalpha, dregalpha | ^ Warning: 'dregalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:334:72: 334 | dFxda = G*(dHda + dFada*(rH0 - H) - Fa*dHda) | ^ Warning: 'dfada' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:154:28: 154 | double precision dFada | ^ note: 'dfada' was declared here xc_xscan.F:159:37: 159 | double precision dadp,dadg,dadt,dadr | ^ Warning: 'dadt' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:336:72: 336 | dFxdr = dFxda*dadr + dFxdp*dpdr | ^ Warning: 'dadr' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:42: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadr' was declared here xc_xscan.F:337:72: 337 | dFxdg = dFxda*dadg + dFxdp*dpdg | ^ Warning: 'dadg' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:32: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadg' was declared here xc_xscan.F:294:72: 294 | dadr = F53*(p-a)*rrho | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:135:32: 135 | double precision p, p14, a, g2 | ^ note: 'a' was declared here Compiling xc_cscan.F... xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'fca' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:115:26: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ note: 'fca' was declared here xc_cscan.F:115:33: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ Warning: 'dfcada' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:346:72: 346 | & ntot*dfcada*dalphadt*(Ec0-Ec1) | ^ Warning: 'dalphadt' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:67: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadt' was declared here xc_cscan.F:332:72: 332 | & ntot*(dEc1dn + fca*(dEc0dn-dEc1dn) + dfcadn*(Ec0-Ec1)) | ^ Warning: 'dalphadn' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:49: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadn' was declared here xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'dalphadg' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:58: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadg' was declared here xc_cscan.F:381:72: 381 | dalphadzeta = -alpha*ddsdzeta/ds | ^ Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:28: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'alpha' was declared here Compiling xc_xscanl.F... Compiling xc_cscanl.F... xc_cscanl.F:355:72: 355 | Amat(n,2) = Amat(n,2) + vcn + ntot*dfcadt*(Ec0-Ec1)*dtdnb | ^ Warning: 'dtdnb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:35: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdnb' was declared here xc_cscanl.F:112:63: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ Warning: 'dtdlb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:359:72: 359 | & dfcadt*(Ec0-Ec1)*dtdgb) | ^ Warning: 'dtdgb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:49: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdgb' was declared here Compiling ts_pc.F... Compiling xc_xncap.F... Compiling xc_xr2scan.F... Compiling xc_xr2scanl.F... Compiling xc_cr2scan.F... Compiling xc_cr2scanl.F... Compiling xc_hcth_extra.F... Compiling xc_rhogen_adft.F... Compiling xc_tabcd_adft.F... Compiling xc_vdw_main.F... xc_vdw_main.F:516:53: 479 | if (.not.rtdb_get(rtdb,'dft:ivdw',MT_INT,1,ivdw)) | 2 ...... 516 | if (.not.rtdb_get(rtdb,'dft:vdwalpha',MT_DBL,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling xc_vdw_util.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /usr/lib64/openmpi/include/ga-wapi.h: No such file or directory Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' Making all in util make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Compiling ga_chol.F... Compiling ga_inverse.F... Compiling ga_chol_seq.F... Compiling ga_inv_seq.F... Compiling dft_invio.F... Compiling dft_print_mats.F... dft_print_mats.F:85:27: 62 | call ga_get(g_s, ibf, ibf, jbf, jbf, val, 1) | 2 ...... 85 | call ga_get(g_svecs, ibf, ibf, jbf, jbf, val, 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_save_mats.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Compiling dft_gather.F... Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... Compiling dft_tstamp.F... Compiling dft_pstrace.F... Compiling get_col.F... Compiling movecs_log.F... Compiling nbf_to_mbf.F... Compiling dft_frozemb.F... Compiling dft_frozemb_fde.F... dft_frozemb_fde.F:238:20: 37 | if (rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) then | 2 ...... 238 | & mt_dbl,1,tol2e_sleazy)) tol2e_sleazy = 1.d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_frozemb_fde.F:360:41: 360 | call grid_quadv0_fde(rtdb, g_dens, g_electronic_fde, | 1 Warning: Rank mismatch in argument 'g_vxc' at (1) (rank-1 and scalar) dft_frozemb_fde.F:492:31: 202 | call dfill(nbf_fde, 0.0d0, dbl_mb(k_svals), 1) | 2 ...... 492 | call dfill(mbf_ao*mbf_ao,0,dbl_mb(k_fock_fde),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling int_1e_fde.F... Compiling sca_lab_mat.F... Compiling dft_utilmap.F... dft_utilmap.F:68:41: 68 | integer lo(3),hi(3),ld(2),ld12,offs | ^ Warning: 'offs' may be used uninitialized [-Wmaybe-uninitialized] Compiling dft_genutils.F... dft_genutils.F:45:72: 45 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dft_genutils.F:125:28: 36 | call ga_check_handle (g_a, | 2 ...... 125 | call ga_check_handle (g_a, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:128:23: 39 | call ga_inquire (g_a, dtype, n1, n2) | 2 ...... 128 | call ga_inquire (g_a, dtype, n1, n2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:134:72: 134 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_cholinv.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Making all in grid make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Compiling grid_sic.F... Compiling grid_checks.F... Compiling grid_balance.F... Compiling grid_rtrunc.F... grid_rtrunc.F:110:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 109 | if(llind) then 110 | call ga_dgop(msg_igop_tru1,exex,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:112:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 112 | call ga_dgop(msg_igop_tru4,shiftm,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:116:33: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 116 | call ga_dgop(msg_igop_tru6,minexp,ncenters,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_atom_type_info.F... Compiling grid_setquad.F... Compiling grid_setrad.F... grid_setrad.F:121:58: 46 | & tol_reset)) tol_reset = .true. | 2 ...... 121 | if (.not. rtdb_get(rtdb,'dft:braggmult', mt_dbl, 1, braggmult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_setang.F... Compiling grid_invariant.F... grid_invariant.F:235:19: 151 | call ycopy(9,0d0,0,qrot, 1) | 2 ...... 235 | call ycopy(9,qrot,1,qin,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_invariant.F:107:22: 107 | call ycopy(9,qrot,1,c,1) | 1 ...... 151 | call ycopy(9,0d0,0,qrot, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling grid_list.F... Compiling grid_setspac_params.F... Compiling grid_acc_def.F... grid_acc_def.F:305:57: 286 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 305 | if (.not. rtdb_get(rtdb, 'dft:ngridin', mt_int, 1, ngridin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_acc_def.F:567:56: 389 | & job_grid_acc)) | 2 ...... 567 | if (.not. rtdb_put(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling grid_memory.F... Compiling grid_update_rtdb.F... grid_update_rtdb.F:33:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 33 | if (.not. rtdb_put(rtdb,'dft:nrad', mt_int, dft_ntags_bsmx, nrad)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_update_rtdb.F:36:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 36 | if (.not. rtdb_put(rtdb,'dft:nang', mt_int, dft_ntags_bsmx, nang)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_tasks.F... Compiling grid_gen_pts.F... Compiling grid_setspac.F... Compiling grid_neighb.F... Compiling grid_cleanup.F... Compiling grid_gaussq.F... Compiling grid_finpts.F... Compiling grid_init.F... grid_init.F:83:22: 30 | if (.not. rtdb_get(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 2 ...... 83 | $ MT_LOG, 1, dosympts)) dosympts=oskel | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling grid_loop.F... Compiling grid_xcfit.F... Compiling dftg_loop.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Compiling grid_pscreen.F... Compiling grid_sphere.F... Compiling grid_ssw.F... Compiling grid_sswold.F... grid_sswold.F:91:72: 91 | radwgh=(1.d0-ass)*sqrt(distnn)*0.5d0 | ^ Warning: 'ass' may be used uninitialized [-Wmaybe-uninitialized] grid_sswold.F:36:26: 36 | double precision ass,distnc,distnn,wsum | ^ note: 'ass' was declared here Compiling grid_beckew.F... Compiling grid_signf.F... Compiling grid_quadvw.F... Compiling grid_quadvw1.F... Compiling grid_bucket.F... Compiling grid_utils.F... Compiling grid_sympts.F... grid_sympts.F:146:17: 146 | , log10((abs(wsum-1d0))), UNKNOWN_ERR) | 1 ...... 193 | ' ' grid_c5trash: mpush get failed',1, MA_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling grid_qpts.F... Compiling grid_quadv0.F... grid_quadv0.F:463:72: 463 | & dbl_mb(irdens_atom), nbf_xc_mxnbf_ce) | 1 Warning: More actual than formal arguments in procedure call at (1) grid_quadv0.F:617:51: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 617 | & call errquit(pname//'failed duplicate',g_vxc, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:779:60: 197 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 779 | if (.not. rtdb_get(rtdb, 'dft:iAOacc', mt_int, 1, iAOacc))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_quadv0.F:911:47: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 911 | & call errquit(pname//'failed destroy',g_fde, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'ixyz_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:149:22: 149 | integer ixyz_fde, lxyz_fde | ^ note: 'ixyz_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:135:36: 135 | integer lCmat3_fde, iCmat3_fde | ^ note: 'icmat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:134:36: 134 | integer lCmat2_fde, iCmat2_fde | ^ note: 'icmat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:132:36: 132 | integer lAmat3_fde, iAmat3_fde | ^ note: 'iamat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:131:36: 131 | integer lAmat2_fde, iAmat2_fde | ^ note: 'iamat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icetobfr_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:125:26: 125 | integer icetobfr_fde, lcetobfr_fde | ^ note: 'icetobfr_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'irdens_atom_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:126:29: 126 | integer irdens_atom_fde, lrdens_atom_fde | ^ note: 'irdens_atom_fde' declared here Compiling grid_quadv0a.F... grid_quadv0a.F:237:34: 237 | call ga_dgop(Msg_Excrho, StericEnergyTotal , 1, '+') ! sum energy over all nodes | 1 ...... 274 | call ga_dgop(2015, q_becke , ncenters, '+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0a.F:243:9: 243 | if(oprint_qbecke) then | ^ Warning: 'oprint_qbecke' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0a.F:63:27: 63 | logical oprint_qbecke | ^ note: 'oprint_qbecke' was declared here Compiling grid_quadv0b.F... grid_quadv0b.F:302:11: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:302:30: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:745:28: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 745 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:770:48: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:770:53: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:778:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 778 | & .false.,0d0,0d0, dbl_mb(k_scr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:806:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 806 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:830:26: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 830 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:467:72: 467 | & ttau_fde, kske, do_xdm) | ^ Warning: 'ilap_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0b.F:92:32: 92 | integer llap_fde, ilap_fde | ^ note: 'ilap_fde' was declared here Compiling grid_quadvc.F... Compiling grid_file.F... Compiling grid_eaf.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Making all in dftgrad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Compiling dft_grad_top.F... Compiling dftg_getxc.F... Compiling dft_gradients.F... dft_gradients.F:544:52: 143 | if (.not.rtdb_get(rtdb,'dft:cgmin', mt_log, 1, cgmin)) | 2 ...... 544 | if (.not.rtdb_get(rtdb, 'dft:xdm', mt_int, 1, xdmdisp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_gradients.F:571:22: 550 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 2 ...... 571 | $ lforce, dbl_mb(k_force))) call errquit | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_gradients.F:616:34: 614 | call intdd_init(rtdb,2,nmo) | 2 615 | else 616 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients.F:657:33: 655 | call intd_init(rtdb,2,nmo) | 2 656 | else 657 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling grad_dft.F... Compiling dftg_getcden.F... Compiling dftg_getxden.F... Compiling dftg_gridpart.F... Compiling dftg_gridv0a.F... dftg_gridv0a.F:147:56: 144 | if (.not. rtdb_get(rtdb, 'dft:lcdft', mt_log, 1, lcdft)) | 2 ...... 147 | if (.not. rtdb_get(rtdb, 'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dftg_gridv0a.F:162:72: 162 | & call errquit('dft_gridv0a: get multipliers failed', 0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dftg_gridv0.F... dftg_gridv0.F:195:9: 177 | if (.not. rtdb_get(rtdb, 'dft:grad_nq', mt_int, 1, nqstep)) | 2 ...... 195 | & ldew))ldew=.true. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dftg_gridv0.F:33:28: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) dftg_gridv0.F:33:33: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-1 and scalar) Compiling dftg_gridv0b.F... dftg_gridv0b.F:332:22: 294 | & natoms, 1,1,1, | 2 ...... 332 | N natoms, curatoms, ncuratoms, 1, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dftg_gridv0b.F:574:14: 549 | & 0d0,0,3*ncuratoms, | 2 ...... 574 | & curatoms, ncuratoms, 1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dftg_griddo.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Compiling dftg_cdfit.F... dftg_cdfit.F:31:43: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_cdfit.F:31:48: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) dftg_cdfit.F:31:51: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'db' at (1) (rank-3 and scalar) Compiling dftg_quadv0b.F... Compiling dftg_grad2.F... dftg_grad2.F:35:45: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_grad2.F:35:51: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) Compiling dint_block_j.F... Compiling j_nucder_gen.F... j_nucder_gen.F:21:55: 21 | call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) j_nucder_gen.F:38:49: 38 | call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dftg_beckew.F... Compiling dftg_wderiv.F... Compiling dftg_gridssw.F... dftg_gridssw.F:163:34: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ Warning: 'dmu1' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:163:39: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ Warning: 'dmu2' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:291:72: 291 | dbmuba(3) = -(zi/rq(n,B) + mu*dmu3)*Rij(ij) | ^ Warning: 'dmu3' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:163:44: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ note: 'dmu3' was declared here Compiling dftg_gridsswold.F... dftg_gridsswold.F:241:72: 241 | dmu1dmu=dmu1dmu*alpha_erf | ^ Warning: 'alpha_erf' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridsswold.F:46:41: 46 | double precision xa,ya,za,alpha_erf | ^ note: 'alpha_erf' was declared here Compiling dftg_signf.F... Compiling dftg_quadv0b_adft.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Making all in lr_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Compiling tddft_energy.F... tddft_energy.F:163:54: 135 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 163 | if (.not.rtdb_get(rtdb,'tddft:ipolar',mt_int,1,ipolar)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_energy.F:308:56: 210 | if (.not. rtdb_put(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 2 ...... 308 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling tddft_input.F... tddft_input.F:105:53: 99 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 2 ...... 105 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_input.F:414:56: 170 | if (.not.rtdb_get(rtdb,'tddft:singlet',mt_log,1,singlet)) | 2 ...... 414 | if (.not.rtdb_get(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_init.F... tddft_init.F:151:55: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 151 | if (.not.rtdb_get(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tddft_init.F:200:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 200 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:202:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 202 | if (.not.rtdb_get(rtdb,'dft:nlxfac',mt_log,numfunc,nlxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:204:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 204 | if (.not.rtdb_get(rtdb,'dft:lcfac',mt_log,numfunc,lcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:206:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 206 | if (.not.rtdb_get(rtdb,'dft:nlcfac',mt_log,numfunc,nlcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:208:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 208 | if (.not.rtdb_get(rtdb,'dft:xccomb',mt_log,numfunc,xccomb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:248:52: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 248 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_init.F:380:57: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 380 | if (.not.rtdb_put(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:382:55: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 382 | if (.not.rtdb_put(rtdb,'tddft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_memory.F... Compiling tddft_iguess.F... tddft_iguess.F:172:64: 168 | status = rtdb_get(rtdb,'tddft:lsimpleso',mt_log,1,lsimpleso) | 2 ...... 172 | if(.not.rtdb_get(rtdb,'simpleso:evlso',mt_dbl,2*nbf_ao,evlso)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_dump.F... Compiling tddft_davidson.F... tddft_davidson.F:262:51: 254 | if (.not.rtdb_get(rtdb,'tddft:check',mt_log,1,lcheck)) | 2 ...... 262 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_transfm.F... Compiling tddft_contract.F... Compiling tddft_epsilon.F... Compiling tddft_subspace.F... Compiling tddft_diagon.F... Compiling tddft_residual.F... Compiling tddft_analysis.F... tddft_analysis.F:240:46: 215 | if (.not.rtdb_get(rtdb,'tddft:do_s2',mt_log,1,do_s2)) | 2 ...... 240 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_analysis.F:1755:53: 1438 | + 1,osc_str)) then | 2 ...... 1755 | if (.not.rtdb_put(rtdb,'tddft:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1774:40: 1438 | + 1,osc_str)) then | 2 ...... 1774 | $ 'tddft:wgsrf_cosmo_vem',mt_dbl,1,wgsrf_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1782:40: 1438 | + 1,osc_str)) then | 2 ...... 1782 | $ 'tddft:wstar_cosmo_vem',mt_dbl,1,wstar_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_dftinit.F... Compiling tddft_finalize.F... Compiling tddft_schmidt.F... Compiling tddft_fold.F... Compiling tddft_bdtensor.F... Compiling tddft_patch.F... Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... Compiling tddft_checkpoint.F... Compiling tddft_restart.F... tddft_restart.F:94:42: 75 | call ga_brdcst(Msg_Vec_NBF+MSGINT, ios, inntsize, 0) | 2 ...... 94 | call ga_brdcst(Msg_Vec_stat+MSGINT, nov_verify, 2*inntsize, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_s2.F... Compiling tddft_simpleso.F... Compiling tddft_lanczos.F... tddft_lanczos.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_lanczos_tda.F... tddft_lanczos_tda.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos_tda.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_dipole.F... Compiling tddft_prod_v.F... tddft_prod_v.F:161:51: 159 | if (.not.rtdb_get(rtdb,'tddft:lecut',mt_log,1,lecut)) | 2 160 | & lecut = .false. 161 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_basis.F... tddft_basis.F:105:29: 61 | call int_init(rtdb, 1, cd_bas_han) | 2 ...... 105 | call int_init(rtdb,2,(/ao_bas_han,cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Compiling tddft_fock_fit.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Making all in lr_tddft_grad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Compiling tddft_gradient.F... tddft_gradient.F:154:55: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 154 | if (rtdb_get(rtdb,'tddft_grad:debug', mt_log, 1, odebug)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:475:61: 206 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 475 | if (.not. rtdb_put(rtdb,'dft:converged', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:486:49: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 486 | if(rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_init.F... tddft_grad_init.F:179:56: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 179 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). tddft_grad_init.F:201:53: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 201 | if (.not.rtdb_get(rtdb,'dft:delta_ac',mt_dbl,1,shift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_init.F:412:24: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 412 | + solve_thresh)) solve_thresh=1.0d-4 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_input.F... tddft_grad_input.F:45:19: 37 | & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR) | 2 ...... 45 | & 1,solve_thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tddft_grad_finalize.F... Compiling tddft_grad_print_info.F... Compiling tddft_grad_ints.F... Compiling tddft_grad_print_header.F... Compiling tddft_grad_e.F... Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... Compiling tddft_grad_xy.F... Compiling tddft_grad_load_mo.F... Compiling tddft_grad_load_xy.F... Compiling tddft_grad_tp.F... Compiling tddft_grad_compute_t.F... Compiling tddft_grad_r.F... Compiling tddft_grad_compute_r.F... tddft_grad_compute_r.F:644:60: 182 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 644 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_trans_mo2ao.F... Compiling tddft_grad_trans_ao2mo.F... Compiling tddft_grad_mat_to_vec.F... Compiling tddft_grad_solve.F... Compiling tddft_grad_epsilon.F... Compiling tddft_grad_solve_product.F... tddft_grad_solve_product.F:125:19: 91 | call ga_zero(g_x_3d_ao) | 2 ...... 125 | call ga_zero(g_Ax_3d_mo) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_solve_precond.F... Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.F... tddft_grad_compute_w.F:565:60: 473 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 565 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_g.F... Compiling tddft_grad_compute_dao.F... Compiling tddft_grad_get_dens.F... Compiling tddft_grad_compute_g.F... tddft_grad_compute_g.F:823:42: 621 | call tddft_grad_print_array(ipol,1,g_d,dble(ipol)) | 2 ...... 823 | call tddft_grad_print_array(1,1,g_wp_ao,dble(ipol)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:850:39: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 850 | & dbl_mb(k_frc_df0), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:932:47: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 932 | & g_dtmp, dbl_mb(k_frc_dft), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_grad_1e.F... Compiling tddft_grad_grad_2e.F... Compiling tddft_grad_make_2pdm.F... Compiling tddft_grad_print_result.F... Compiling tddft_grad_print_array.F... Compiling tddft_grad_compute_energy.F... Compiling tddft_grad_anti_symmetrize.F... Compiling tddft_grad_gxc.F... Compiling tddft_grad_irreg_acc.F... Compiling tddft_grad_fxc_l.F... Compiling tddft_grad_fix_exc.F... Compiling tddft_grad_store_gradient.F... Compiling tddft_grad_util_print.F... Compiling tddft_grad_solve_load_x.F... tddft_grad_solve_load_x.F:121:28: 106 | call ga_brdcst(1001,x_exists,ma_sizeof(MT_LOG,1,MT_BYTE),0) | 2 ...... 121 | call ga_brdcst(1002,itpol,ma_sizeof(MT_INT,1,MT_BYTE),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_solve_save_x.F... Compiling tddft_grad_dxcdmat.F... Compiling tddft_grad_dfxc.F... Compiling tddft_grad_quadv0b.F... Compiling tddft_grad_dvxc.F... Compiling tddft_grad_mpole.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Making all in zora make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Compiling dft_zora_utils.F... dft_zora_utils.F:281:32: 67 | status=rtdb_get(rtdb,'prop:efgfile',mt_int,1,efgfile) ! for NLMO analysis | 2 ...... 281 | & mt_log,1,skip_csAOev)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_utils.F:198:72: 198 | scale_MO=scf_dbl*focc(ind_occ) | ^ Warning: 'scf_dbl' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_utils.F:44:50: 44 | double precision eval_scal,ener_scal,scf_dbl | ^ note: 'scf_dbl' was declared here Compiling dft_zora_utils_so.F... dft_zora_utils_so.F:284:29: 283 | call ga_dgop(20166102, evals, noc, '+') | 2 284 | call ga_dgop(20166103, ener_scal, 1, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_zora_rhos.F... dft_zora_rhos.F:560:41: 560 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:564:38: 553 | $ 1,efgz4atoms)) | 2 ...... 564 | $ efgz4atoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_rhos.F:570:41: 570 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:368:19: 368 | call ga_zero(g_orbi) | 1 ...... 492 | call ga_zero(g_densZ4(ispin)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:369:18: 369 | call ga_put(g_orbi,1,nbf,iorb,iorb, | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:373:27: 317 | & g_orb,g_orb,0.d00,g_dens_sf) | 2 ...... 373 | & g_orbj,g_orbi,0.d00,g_dens_sf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:376:27: 376 | if (.not. ga_destroy(g_orbi)) call errquit( | 1 ...... 514 | if (.not. ga_destroy(g_dens_sf)) call errquit( | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'ipol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:453:24: 453 | integer ispin,ipol,iorb,porb,nbf | ^ note: 'ipol' declared here dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'noc1' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:458:18: 458 | integer noc1 ! Total # of occupied MOs | ^ note: 'noc1' declared here Compiling dft_zora_rhos_so.F... dft_zora_rhos_so.F:746:15: 738 | if (.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1,nefc)) | 2 ...... 746 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_zora_rhos_so.F:851:49: 849 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 850 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 851 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling gridNuclearPotential.F... Compiling gridHartreePotential.F... Compiling gridQpqPotential.F... Compiling grid_moments.F... Compiling zora_getv_EFGZ4_SR.F... Compiling calc_zora_EFGZ4_SR.F... Compiling zora_getv_EFGZ4_SO.F... Compiling calc_zora_EFGZ4_SO.F... Compiling dft_zora_NMR.F... dft_zora_NMR.F:1086:37: 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 ...... 1086 | $ giaoatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_NMR.F:66:32: 66 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling zora_getv_NMRCS_SR.F... Compiling calc_zora_NMRCS_SR.F... Compiling dft_zora_EPR.F... dft_zora_EPR.F:47:32: 47 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 424 | status=rtdb_get(rtdb,'prop:gshiftfile',mt_int,1,gshiftfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_EPR.F:376:72: 376 | factor=(-0.25d0)*coeffpol*ppt | ^ Warning: 'coeffpol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_EPR.F:339:39: 339 | double precision toac(2),coeffpol,toscale | ^ note: 'coeffpol' was declared here Compiling dft_zora_EPR-NMR_tools.F... dft_zora_EPR-NMR_tools.F:1572:37: 294 | call ga_get(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1572 | call ga_get(g_z1,1,n1,m1,m1,dcpl_mb(k_z),n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). dft_zora_EPR-NMR_tools.F:1777:48: 530 | call ga_put(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1777 | call ga_put(g_z1,idat,idat,ivec,ivec,val_cmplx,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling zora_getv_EPR.F... Compiling calc_zora_EPR.F... Compiling dft_zora_Hyperfine.F... dft_zora_Hyperfine.F:1515:38: 1504 | $ 1,hfineatoms)) | 2 ...... 1515 | $ hfineatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_Hyperfine.F:48:32: 48 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 1504 | $ 1,hfineatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_Hyperfine.F:814:72: 814 | & nexc) | ^ Warning: 'k_zetanuc' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_Hyperfine.F:782:33: 782 | integer l_zetanuc,k_zetanuc | ^ note: 'k_zetanuc' declared here Compiling zora_getv_HFine.F... Compiling calc_zora_HFine.F... Compiling zora_getv_sf.F... zora_getv_sf.F:294:72: 294 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here zora_getv_sf.F:293:72: 293 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here Compiling zora_getv_so.F... zora_getv_so.F:283:72: 283 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here zora_getv_so.F:282:72: 282 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here Compiling calc_EFG.F... Compiling calc_zora_sf.F... Compiling calc_zora_so.F... Compiling calc_zora_facs.F... Compiling get_ints_zora.F... Compiling zora_recalc.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Making all in spec make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Compiling dft_vspec.F... dft_vspec.F:108:57: 75 | if (.not. rtdb_get(rtdb,'dft:write_vspec',mt_log,1,write_vspec)) | 2 ...... 108 | if (.not. rtdb_get(rtdb,'dft:nexcite_win',mt_int,1,nexcite_win)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_vspec_so.F... Compiling dft_xps.F... Compiling dft_polfromsos.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Making all in rt_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Compiling rt_tddft.F... rt_tddft.F:60:9: 56 | & cam_exch)) cam_exch=.false. | 2 ...... 60 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Making all in matutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Compiling convert_d2z.F... Compiling convert_z2d.F... Compiling pack_buffer2ga.F... pack_buffer2ga.F:138:39: 60 | call ga_put (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 138 | call ga_put (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pack_ga2buffer.F... pack_ga2buffer.F:133:39: 57 | call ga_get (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 133 | call ga_get (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling matutils.F... matutils.F:458:72: 458 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:489:42: 473 | call ga_put (g_a, i,i,i,i, one, 1) | 2 ...... 489 | call ga_put (g_a, i,i,i,i, zone, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). matutils.F:499:72: 499 | call errquit (pname//"unsupported data type") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:399:72: 399 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:339:72: 339 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:196:72: 196 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:542:72: 542 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:920:72: 920 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) Compiling dmat_io.F... dmat_io.F:52:72: 52 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dmat_io.F:154:72: 154 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_diag.F... zmat_diag.F:591:72: 591 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:451:72: 451 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:66:72: 66 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:701:72: 701 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_inv.F... zmat_inv.F:240:72: 240 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_inv.F:62:72: 62 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_checksum.F... zmat_checksum.F:44:72: 44 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_spectral_range.F... zmat_spectral_range.F:55:72: 55 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_max_abs_elem.F... zmat_max_abs_elem.F:47:72: 47 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_compare.F... Compiling elem_compare.F... Compiling calc_array_partitioning.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Making all in rtutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... Compiling rt_tddft_output.F... rt_tddft_output.F:427:72: 427 | call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:428:72: 428 | call rt_tddft_print_val (params, tt, energies%core, "Ecore") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:429:72: 429 | call rt_tddft_print_val (params, tt, energies%coul, "Ecoul") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:430:72: 430 | call rt_tddft_print_val (params, tt, energies%xc(1), "Exc(1)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:431:72: 431 | call rt_tddft_print_val (params, tt, energies%xc(2), "Exc(2)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:432:72: 432 | call rt_tddft_print_val (params, tt, energies%tot, "Etot") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:434:72: 434 | $ energies%tot - energies%gs, "Eadded") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:467:72: 467 | call rt_tddft_print_msg (params, tt, "No applied E-field") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:650:72: 650 | $ charge_tot, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_calc.F... rt_tddft_calc.F:363:31: 171 | call rt_tddft_geom_mask (params, params%g_dip%x, ig, g_dip_maskd) | 2 ...... 363 | call rt_tddft_geom_mask (params, g_dscr1, ig, g_dscr2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_movecs_gs.F... Compiling rt_tddft_movecs_import.F... rt_tddft_movecs_import.F:330:72: 330 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:363:72: 363 | $ mo_nsets, mo_ns_mo) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:386:72: 386 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:576:72: 576 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:642:72: 642 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:661:72: 661 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_moocc.F... Compiling rt_tddft_atpoint.F... Compiling rt_tddft_snapshot.F... rt_tddft_snapshot.F:205:72: 205 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:276:20: 276 | itreference = rt_tddft_find_itreference (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:287:72: 287 | $ params%viz_treference, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:314:13: 314 | if (rt_tddft_at_snap (params, tt)) then | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:328:72: 328 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:332:72: 332 | $ fname_tail_cube) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_geom_mask.F... rt_tddft_geom_mask.F:46:72: 46 | $ call errquit (pname//"g_full must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:61:72: 61 | $ call errquit (pname//"g_maskd must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:69:72: 69 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:73:72: 73 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:81:72: 81 | $ call errquit (pname//"bad ig: ", ig, 0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:99:72: 99 | $ call errquit (pname//"failed to create fullre",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:103:72: 103 | $ call errquit (pname//"failed to create fullim",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:116:72: 116 | $ call errquit (pname//"failed to destroy fullre", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:119:72: 119 | $ call errquit (pname//"failed to destroy fullim", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:122:72: 122 | call errquit (pname//"bad data type for g_full",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling rt_tddft_estimate_rem.F... Compiling rt_tddft_vec_quad.F... Compiling rt_tddft_excite.F... rt_tddft_excite.F:376:47: 376 | val = val * rt_tddft_hann_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:378:51: 378 | val = val * rt_tddft_gaussian_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:380:51: 380 | val = val * rt_tddft_sin2ramp_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:80:72: 80 | call rt_tddft_update_fields (params, tt) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_excite.F:94:33: 94 | call rt_tddft_vec_zero (params%geom(igeom)%vec(1)) !alpha | 1 ...... 412 | call rt_tddft_vec_zero (fvec) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_vector_t)/TYPE(rt_vector_t)). Compiling rt_tddft_checkpoint.F... Compiling rt_tddft_zora_scale.F... Compiling rt_tddft_project.F... rt_tddft_project.F:221:72: 221 | call rt_tddft_project (params, "F", g_za, g_zb, g_zaproj, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:223:72: 223 | $ g_zaproj, g_zb, g_zaback, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:368:72: 368 | $ g_za, g_movecs_gs, g_zaproj) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:370:72: 370 | $ g_zaproj, g_movecs_gs, g_zaback) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_zdens_tot_movecs.F... Compiling rt_tddft_restart.F... rt_tddft_restart.F:240:29: 237 | call ga_brdcst(100001, it_in, msglen, 0) | 2 ...... 240 | call ga_brdcst(100002, tt_in, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_restart.F:284:31: 101 | call rt_tddft_print_msg (params, tt, "Saved restart file") | 2 ...... 284 | call rt_tddft_print_msg (params, tt, "Loaded restart file") | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_mocap.F... Compiling rt_tddft_calc_dip_contribs.F... rt_tddft_calc_dip_contribs.F:207:25: 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) | 2 ...... 207 | $ g_zPgsint(1), 0d0, g_zPgsmo(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling rt_tddft_spatialcap.F... Compiling rt_tddft_spatial_potential.F... rt_tddft_spatial_potential.F:111:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 111 | $ mt_int, 3, nq)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). rt_tddft_spatial_potential.F:115:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 115 | $ mt_dbl, 3, qmin_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_spatial_potential.F:119:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 119 | $ mt_dbl, 3, qmax_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rt_tddft_complex_evals.F... rt_tddft_complex_evals.F:246:29: 242 | call ga_brdcst(100001, diff, msglen, 0) | 2 ...... 246 | call ga_brdcst(100002, imax, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Making all in input make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Compiling rt_tddft_input_put_defaults.F... rt_tddft_input_put_defaults.F:110:20: 63 | $ mt_log,1,.true.)) | 2 ...... 110 | $ mt_dbl,1,tol_zero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling rt_tddft_input_field.F... rt_tddft_input_field.F:218:72: 218 | call rt_tddft_field_rtdb_get (rtdb, i, prev_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_input_field.F:467:72: 467 | call rt_tddft_field_rtdb_put (rtdb, nfields, this_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) Compiling rt_tddft_input_print.F... Compiling rt_tddft_input_excite.F... rt_tddft_input_excite.F:223:72: 223 | call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) | 1 Warning: Type mismatch in argument 'excite' at (1); passed TYPE(rt_excite_t) to TYPE(rt_excite_t) Compiling rt_tddft_input_tolerances.F... Compiling rt_tddft_input_visualization.F... rt_tddft_input_visualization.F:131:59: 119 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_tstart',mt_dbl,1,tstart)) | 2 ...... 131 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_subgs',mt_log,1,lsubgs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_input_mocap.F... rt_tddft_input_mocap.F:120:61: 103 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_maxval',mt_dbl,1,maxval)) | 2 ...... 120 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_print',mt_log,1,lprint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_input_spatialcap.F... rt_tddft_input_spatialcap.F:227:60: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 227 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_active',mt_log,1,lactive)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). rt_tddft_input_spatialcap.F:235:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 235 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmin',mt_dbl,3,qmin)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_spatialcap.F:239:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 239 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmax',mt_dbl,3,qmax)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rt_tddft_input.F... rt_tddft_input.F:136:22: 65 | $ mt_int,1,nfields)) | 2 ...... 136 | $ 1,use_dmat)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rt_tddft_input.F:373:72: 373 | call errquit (pname//"invalid propagator: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:400:72: 400 | call errquit (pname//"BCH exp disabled"//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:404:72: 404 | $ "invalid exponentiation method: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Making all in init make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Compiling rt_tddft_init_coulcdfit.F... rt_tddft_init_coulcdfit.F:217:72: 217 | params%iwhat_max = iwhat_max | ^ Warning: 'iwhat_max' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:39:23: 39 | integer iwhat_max | ^ note: 'iwhat_max' was declared here rt_tddft_init_coulcdfit.F:218:72: 218 | params%n_semi_bufs = n_semi_bufs | ^ Warning: 'n_semi_bufs' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:38:43: 38 | integer n3c_int, n3c_dbl, n_semi_bufs | ^ note: 'n_semi_bufs' was declared here rt_tddft_init_coulcdfit.F:219:72: 219 | params%fd = fd | ^ Warning: 'fd' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:44:16: 44 | integer fd | ^ note: 'fd' was declared here Compiling rt_tddft_init_zora.F... Compiling rt_tddft_init_dip_quad_ints.F... Compiling rt_tddft_init_fock2e.F... Compiling rt_tddft_init_geoms.F... Compiling rt_tddft_init_rtdb.F... rt_tddft_init_rtdb.F:38:22: 26 | $ mt_dbl, 1, params%dt)) call errquit (pname// | 2 ...... 38 | $ mt_int, 1, params%nchecks)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rt_tddft_init_check_params.F... rt_tddft_init_check_params.F:41:72: 41 | call rt_tddft_init_check_fields (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_init_overlap_canorg.F... Compiling rt_tddft_init_common.F... rt_tddft_init_common.F:79:22: 66 | $ mt_dbl, 1, local_d_conv)) then | 2 ...... 79 | $ mt_log, 1, dft_converged)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_clean.F... Compiling task_rt_tddft.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Making all in canorg make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Compiling canorg_check.F... Compiling canorg_init.F... Compiling canorg_clean.F... Compiling canorg_trans.F... canorg_trans.F:108:72: 108 | call canorg_trans_zfock_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:110:72: 110 | call canorg_trans_zdens_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:127:72: 127 | call canorg_trans_zfock_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:129:72: 129 | call canorg_trans_zdens_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Making all in propagators make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Compiling exp_diag.F... exp_diag.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling exp_pseries.F... exp_pseries.F:81:72: 81 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling prop_euler.F... Compiling prop_magnus_exp_bch.F... Compiling prop_magnus_exp_bch_scaled.F... Compiling prop_magnus_ord2_interpol.F... Compiling prop_magnus_ord2_step.F... Compiling prop_rk4.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Making all in closedshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Compiling zfock_cs_build.F... Compiling zfock_cs_core.F... Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... Compiling zfock_cs_coul_exchre.F... Compiling zfock_cs_coul.F... Compiling zfock_cs_dftxc.F... Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... Compiling rt_tddft_cs_init.F... Compiling rt_tddft_cs_confirm.F... Compiling rt_tddft_cs_checkpoint.F... Compiling rt_tddft_cs_restart.F... rt_tddft_cs_restart.F:54:67: 50 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 54 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_cs_restart.F:164:67: 161 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 164 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling rt_tddft_cs_prop.F... Compiling rt_tddft_cs_tdfock.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Making all in openshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' Compiling zfock_os_build.F... Compiling zfock_os_core.F... Compiling zfock_os_core_scalarzora.F... Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... Compiling zfock_os_exch.F... Compiling zfock_os_dftxc.F... Compiling rt_tddft_os_init.F... Compiling rt_tddft_os_confirm.F... Compiling rt_tddft_os_prop.F... Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... Compiling rt_tddft_os_print.F... Compiling rt_tddft_os_restart.F... rt_tddft_os_restart.F:56:67: 52 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 56 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_os_restart.F:191:67: 188 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 191 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a rt_tddft.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Making all in libxc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' egrep: warning: egrep is obsolescent; using grep -E Compiling nwchem_libxc_read.F... egrep: warning: egrep is obsolescent; using grep -E Compiling nwchem_libxc_util.F... nwchem_libxc_util.F:173:10: 149 | $ libxc_nfuncs)) | 2 ...... 173 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwchem_libxc_util.F:215:10: 191 | $ libxc_nfuncs)) | 2 ...... 215 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' egrep: warning: egrep is obsolescent; using grep -E Compiling nwchem_libxc_compute.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' Making all in x2c make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' Compiling calc_x2c_w_scalar.F... Compiling x2c_getw_scalar.F... Compiling x2c_getw_efg_scalar.F... Compiling x2c_getw_moment_scalar.F... Compiling calc_x2c_1e_scalar_ga.F... calc_x2c_1e_scalar_ga.F:688:13: 688 | info = ga_cholesky('L', g_m, -1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling calc_x2c_efg_scalar.F... calc_x2c_efg_scalar.F:480:23: 176 | call ga_zero(g_efgint) | 2 ...... 480 | call ga_zero(g_P) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:510:12: 392 | & g_temp,clo,chi) | 2 ...... 510 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:522:12: 392 | & g_temp,clo,chi) | 2 ...... 522 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:546:13: 391 | & g_efg, blo,bhi, | 2 ...... 546 | & g_P,blo,bhi, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:576:29: 221 | if (.not. ga_destroy(g_temp)) call errquit | 2 ...... 576 | if (.not. ga_destroy(g_P)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling calc_x2c_moment_scalar.F... Compiling calc_x2c_wefg_scalar.F... Compiling calc_x2c_wmoment_scalar.F... Compiling calc_x2c_hfc_scalar.F... calc_x2c_hfc_scalar.F:227:72: 227 | & pname//': g_u2c inconsistency', UNKNOWN_ERR) | 1 Warning: Missing actual argument for argument '_formal_13' at (1) Compiling write_x2c_pc_dip.F... Compiling read_x2c_pc_dip.F... Compiling x2c_scf.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_scf.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a nwdft.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Making libraries in rimp2 make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Compiling rimp2_v_e2.F... rimp2_v_e2.F:164:56: 161 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 164 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mk_1d_shdist.F... Compiling ga_by_shells.F... Compiling xf3ci_step12.F... Compiling xf3ci_step3.F... Compiling xform_3cints.F... Compiling occ_ranges.F... Compiling rimp2_xf.F... Compiling close_3ci.F... Compiling open_3ci.F... Compiling put_3cints.F... Compiling get_3cints.F... Compiling rimp2.F... rimp2.F:130:54: 126 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 130 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dgecop.F... Compiling lnblnk.f... Compiling max_v_diag.F... Compiling rimp2_parm.F... rimp2_parm.F:31:20: 23 | If ( .NOT. RTDB_Get( RTDB, 'mp2:aotol2e', MT_Dbl, 1, Thresh) ) | 2 ...... 31 | $ MT_Int, 1, MxTBatch) ) MxTBatch = -1 ! Determined by memory space | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rimp2_timers.F... Compiling pr_corr_map.F... Compiling prog_report.F... Compiling xf3ci_mem12.F... Compiling iamax.f... Compiling rimp2_e_mem.F... rimp2_e_mem.F:124:12: 59 | $ 'RIMP2_E_Mem: Unable to allocate minimal GA', 0, GA_ERR) | 2 ...... 124 | $ Mem_Avail, MA_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Compiling rimp2_denom.F... Compiling sum_pairs.F... Compiling xf3ci_s12a.F... Compiling xf3ci_s12b.F... Compiling eval_3ci.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Making libraries in stepper make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Compiling stpr_cheker.F... Compiling stpr_chkhess.F... Compiling stpr_clnstp.F... Compiling stpr_cneed.f... Compiling stpr_cross.f... Compiling stpr_driver.F... Compiling stpr_fndmde.F... Compiling stpr_formup.F... Compiling stpr_gmass.f... Compiling stpr_hesupd.F... Compiling stpr_hmass.f... Compiling stpr_inihes.F... Compiling stpr_face.F... stpr_face.F:13:61: 13 | if (.not.rtdb_get(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 1 ...... 484 | if (.not.rtdb_get(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). stpr_face.F:454:62: 437 | if (.not.rtdb_put(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 2 ...... 454 | if (.not.rtdb_put(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling stpr_locate.f... Compiling stpr_matout.f... Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... Compiling stpr_output.F... Compiling stpr_place.F... Compiling stpr_pmat.f... Compiling stpr_prntpd.f... Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... Compiling stpr_setmass.f... Compiling stpr_stepcor.F... Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... Compiling stpr_uprcase.f... Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... Compiling stpr_walk.F... stpr_walk.F:176:14: 95 | if (.not. rtdb_get(rtdb, 'task:energy', MT_DBL, 1, energy)) | 2 ...... 176 | $ okeepgeom)) okeepgeom = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling stpr_datestp.f... Compiling distang.F... Compiling stpr_gh_at.F... stpr_gh_at.F:244:72: 244 | & ('stpr_gen_hess_at: reference point energy+grad failed',7) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) stpr_gh_at.F:371:26: 86 | & numerical_single)) then | 2 ...... 371 | & rank_hess,dbl_mb(k_gradm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling stpr_gen_aux.F... Compiling stpr_filenames.F... Compiling stepper_inp.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Compiling stpr_partit.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Making libraries in driver make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Compiling opt_drv.F... opt_drv.F:3480:23: 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 3480 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:1968:23: 1968 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:2850:50: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 2850 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). opt_drv.F:3714:11: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 3714 | $ gx)) call errquit('driver: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) opt_drv.F:956:26: 956 | 20 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling oniom.F... oniom.F:186:11: 88 | $ usesymmol)) usesymmol=.false. | 2 ...... 186 | $ model_nat)) call errquit('oniom: model_nat?',0, RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). oniom.F:598:54: 120 | $ int_mb(k_actlist))) call errquit | 2 ...... 598 | if (.not. rtdb_put(rtdb,'oniom:energy',mt_dbl,1,energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling lbfgs.F... Compiling lbfgs-b.F... lbfgs-b.F:4127:50: 4125 | do 30 j = 2, n | 2 4126 | temp = -b(j-1) 4127 | call yaxpy(n-j+1,temp,t(j,j-1),1,b(j),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:17: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:24: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:31: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:42: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:31: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling lbfgs-b_driver.F... lbfgs-b_driver.F:126:58: 110 | if (.not. rtdb_get(irtdb,'onlystress',mt_log,1,onlystress)) | 2 ...... 126 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). lbfgs-b_driver.F:578:72: 578 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_12' at (1) Compiling lbfgs_driver.F... lbfgs_driver.F:86:57: 71 | if(.not.rtdb_get(irtdb,'lbfgs:maxiter',mt_int,1,maxiter)) | 2 ...... 86 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling lbfgs_utils.F... Compiling socket_driver.F... socket_driver.F:150:42: 121 | call util_talker_read(sock,msg,12) | 2 ...... 150 | call util_talker_read(sock,unita,n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). socket_driver.F:190:43: 143 | call util_talker_write(sock,statebuffer,12) | 2 ...... 190 | call util_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Compiling driver_input.F... driver_input.F:60:60: 39 | if (.not. rtdb_put(rtdb,'opt:driver',mt_log,1,.true.)) | 2 ...... 60 | if (.not. rtdb_put(rtdb,'driver:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Making libraries in optim make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' Making all in deloc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Compiling deloc_driver.F... deloc_driver.F:140:57: 105 | if(.not.rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 2 ...... 140 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling deloc.F... Compiling deloc_utils.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Making all in mepgs make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Compiling mepgs_drv.F... mepgs_drv.F:2728:11: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2728 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mepgs_drv.F:2334:50: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2334 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:3007:23: 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 3007 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1702:26: 1702 | 40 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:453:58: 453 | $ call errquit('mepgs_energy_step: coordinates?', string, | 1 ...... 1019 | & call errquit('hnd_opt: geom_create?', 911, GEOM_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). mepgs_drv.F:3287:58: 3219 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 3287 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Compiling mepgs_input.F... mepgs_input.F:57:58: 38 | if (.not. rtdb_put(rtdb,'mepgs:evib',mt_dbl,1,evib)) | 2 ...... 57 | if (.not. rtdb_put(rtdb,'mepgs:nircopt',mt_int,1,nircopt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Making all in tropt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Compiling tropt_drv.F... tropt_drv.F:2288:11: 1868 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 2 ...... 2288 | $ gx)) call errquit('tropt: could not get gradient',0,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tropt_drv.F:2812:23: 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 2812 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tropt_drv.F:1757:26: 1757 | call ga_brdcst(1001,tropt_converged,ma_sizeof(mt_log,1,mt_byte),0) | 1 ...... 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Compiling tropt_input.F... tropt_input.F:48:59: 21 | if (.not. rtdb_put(rtdb,'opt:tropt',mt_log,1,.true.)) | 2 ...... 48 | if (.not. rtdb_put(rtdb,'tropt:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a tropt_drv.o tropt_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Making all in neb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Compiling neb_input.F... neb_input.F:82:55: 57 | if (.not. rtdb_put(rtdb,'neb:algorithm',mt_int,1,nbeads)) | 2 ...... 82 | if (.not. rtdb_put(rtdb,'neb:stepsize',mt_dbl,1,timestep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling neb_drv.F... neb_drv.F:96:50: 81 | if (.not. rtdb_get(rtdb,'neb:gmax',mt_dbl,1,nebgmax)) | 2 ...... 96 | if (.not.rtdb_get(rtdb,'neb:steps',mt_int,1,nebsteps)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). neb_drv.F:986:54: 781 | if (.not.rtdb_put(rtdb,'neb:print_count',mt_int,1,print_count)) | 2 ...... 986 | if (.not.rtdb_put(rtdb,'bead_list:new',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling neb_utils.F... neb_utils.F:863:54: 809 | if (.not. rtdb_get(rtdb,'neb:pathguess',mt_int,1,pathguess)) | 2 ...... 863 | if (.not.rtdb_get(rtdb,'neb:hasmiddle',mt_log,1,hasmiddle)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling bead_list.F... bead_list.F:1449:59: 301 | value = rtdb_get(bead_rtdb,rtdb_name,mt_int,1,size) | 2 ...... 1449 | if (.not.rtdb_get(bead_rtdb,'includestress',mt_log,1,ostress)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). bead_list.F:472:54: 467 | if(.not.rtdb_put(bead_rtdb,"scf:converged",mt_log,1,.false.)) | 2 ...... 472 | if(.not.rtdb_put(bead_rtdb,"neb:ibead",mt_int,1,i)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Making all in string make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' Compiling string.F... string.F:479:58: 475 | if (.not. rtdb_get(rtdb, 'string:linopt', mt_log,1,linopt)) | 2 ...... 479 | if (.not. rtdb_get(rtdb,'string:pathguess',mt_int,1,pathguess)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). string.F:1788:33: 598 | call ycopy(ng,coords,1,coords_old,1) | 2 ...... 1788 | call ycopy(3*natoms*nbeads,0.0d0,0,dVdx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) string.F:1821:59: 845 | > mt_int,1,print_count)) | 2 ...... 1821 | if(.not.rtdb_put(rtdb,"scf:converged",mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling string_input.F... string_input.F:70:14: 46 | if (.not. rtdb_put(rtdb,'string:tol',mt_dbl,1,tol)) | 2 ...... 70 | $ nbeads)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a string.o string_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' Making libraries in cphf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' Compiling cphf.F... Compiling cphf_poliz.F... cphf_poliz.F:133:52: 119 | if(.not.rtdb_get(rtdb,'scf:nalpha',mt_int,1,noa)) | 2 ...... 133 | if (.not. rtdb_get(rtdb,'dft:noc',mt_int,2,noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cphf_solve.F... cphf_solve.F:156:11: 152 | $ lshift)) lshift=0.0d0 | 2 ...... 156 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve.F:198:61: 195 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 198 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve2.F... cphf_solve2.F:165:11: 158 | $ lshift)) lshift=0.0 | 2 ...... 165 | $ maxiter)) maxiter = 50 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve2.F:237:61: 234 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 237 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve3.F... cphf_solve3.F:227:11: 129 | if (.not. rtdb_get(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 2 ...... 227 | $ precond_tol)) precond_tol=1d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cphf_solve3.F:342:61: 339 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 342 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve4.F... cphf_solve4.F:153:11: 151 | $ precond_tol)) precond_tol=1d-4 | 2 152 | if (.not. rtdb_get(rtdb, 'cphf:maxiter', mt_int, 1, 153 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve4.F:206:61: 203 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 206 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' Making libraries in ccsd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' Compiling ccden_driver.F... Compiling ccden_interm2.F... Compiling ccden_1pdm.F... Compiling ccsd_driver.F... ccsd_driver.F:357:57: 88 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nocc)) | 2 ...... 357 | If ( .NOT. RTDB_Get(RTDB, 'scf:energy', MT_Dbl, 1, RefEner) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_driver.F:384:20: 132 | $ occ_frozen)) | 2 ...... 384 | $ MT_Dbl, 1, EMP2) ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_sortmo.F... Compiling geaxpy.F... Compiling ccden_2pdma.F... Compiling ccden_2pdmb.F... Compiling ccsd_mktau_ga.F... Compiling ccden_interm4.F... Compiling aoccsd2.F... aoccsd2.F:319:11: 316 | if (.not.rtdb_get(rtdb,'ccsd:use_ccsd_omp',mt_log,1,use_ccsd_omp)) | 2 ...... 319 | A ccsd_omp_threads)) ccsd_omp_threads=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_itm.F... Compiling ccsd_itm_omp.F... Compiling ccsd_t2pm.F... ccsd_t2pm.F:436:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 436 | if (eaf_read(sxy_hl,faddr,ival,intsize).ne.0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ccsd_t2pm.F:448:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 448 | if (eaf_read(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t2pm.F:596:48: 504 | if (eaf_write(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 596 | if (eaf_write(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_pampt2.F... Compiling ccsd_pampt3.F... Compiling ccsd_idx1.F... Compiling ccsd_idx2.F... Compiling ccsd_idx34.F... Compiling ccsd_tengy.F... Compiling ccsd_trpdrv.F... Compiling ccsd_trpdrv_nb.F... Compiling ccsd_trpdrv_omp.F... Compiling ccsd_trpdrv_omp_mixprec.F... Compiling moints_trp.F... moints_trp.F:136:72: 136 | $ ('moints: cannot get geometry', 0, GEOM_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:141:72: 141 | $ call errquit('moints_trp: cannot get basis info',0,BASIS_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:159:72: 159 | $ call errquit('moints_trp: no memory for syms?',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:162:72: 162 | $ call errquit('moints_trp: cannot ga_create tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:169:72: 169 | $ call errquit('cannot destroy tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:172:72: 172 | & UNKNOWN_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:206:72: 206 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:232:72: 232 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:272:72: 272 | $ call errquit('moints_trp: push ssbb',n_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:293:72: 293 | $ call errquit('moints_trp: push buf',max2e,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:296:72: 296 | $ call errquit('moints_trp: push scr',mem2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:309:72: 309 | $ call errquit('moints_trp: pop iscr',l_iscr,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:311:72: 311 | $ call errquit('moints_trp: pop eri',l_eri,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:315:72: 315 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:322:72: 322 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:337:72: 337 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:349:72: 349 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:355:72: 355 | $ call errquit('moints_trp: pop ssbb',l_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:359:72: 359 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:365:72: 365 | $ call errquit('moints_trp: push hlp2',n_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:377:72: 377 | $ call errquit('moints_trp: pop hlp2',l_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:384:72: 384 | $ call errquit('moints_trp: push hlp3',n_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:393:72: 393 | $ call errquit('moints_trp: pop hlp3',l_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:410:72: 410 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:422:72: 422 | $ call errquit('moints_trp: failed to pop', l_shmap, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:450:72: 450 | $ call errquit('moints_trp: pop hlp', l_hlp, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:453:72: 453 | $ call errquit('moints_trp: pop sym',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ccsd.F... Compiling ccsd_aux.F... Compiling ccsd_get_param.F... ccsd_get_param.F:21:22: 19 | if (.not. rtdb_get(Rtdb, 'ccsd:ccd', mt_log, 1, occd))occd=.false. | 2 20 | if (.not. rtdb_get(rtdb, 'ccsd:maxiter', 21 | $ MT_INT, 1, maxit)) maxit = 20 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_iterdrv2.F... ccsd_iterdrv2.F:173:60: 111 | if (.not. rtdb_get(rtdb, 'ccsd:usedisk', mt_log, 1, use_disk)) | 2 ...... 173 | if(.not.rtdb_get(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ccsd_iterdrv2.F:243:60: 239 | if(.not.rtdb_put(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 2 ...... 243 | if(.not.rtdb_put(rtdb, 'ccsd:converged',MT_LOG, 1, oconverged)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling ccsd_mktask.F... Compiling ccsd_mkt2.F... Compiling ccsd_pdiis.F... Compiling ccsd_trpmo.F... Compiling ccsd_rdtrpo.F... Compiling qstat.F... qstat.F:182:34: 179 | call ga_dgop(msg_qstat_3,nrout,1,'min') | 2 ...... 182 | call ga_dgop(msg_qstat_1,tcp_min,1,'min') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cputime.F... Compiling rddcom.F... Compiling ccsd_input.F... ccsd_input.F:71:57: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 71 | if (.not. rtdb_put(rtdb, 'ccsd:thresh', mt_dbl, 1, convi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_input.F:106:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 106 | $ IList)) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:114:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 114 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:122:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 122 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:130:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 130 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:138:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 138 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:146:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 146 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:154:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 154 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ccsd_graddrv.F... Compiling ccsd_zvecs.F... Compiling ccsd_pzamp.F... Compiling ccsd_zsig1.F... Compiling ccsd_zsig2.F... Compiling ccsd_z2pm.F... Compiling ccsd_tzinta.F... Compiling ccsd_tzintb.F... Compiling ccsd_mem.F... Compiling ccsd_pstat.F... Compiling convert_single_double.F... Compiling ccsd_aosig.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' Making libraries in vib make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Compiling vib_bcalc.F... Compiling vib_bend.F... Compiling vib_bstr.F... Compiling vib_cebdab.F... Compiling vib_chkhess.F... Compiling vib_clean.F... Compiling vib_cross.F... Compiling vib_dsquar.F... Compiling vib_dtrngl.F... Compiling vib_eckart.F... Compiling vib_gtors.F... Compiling vib_hmass.F... Compiling vib_libe.F... Compiling vib_nmass.F... Compiling vib_prdata.F... Compiling vib_prntpd.F... Compiling vib_rdinp.F... vib_rdinp.F:95:44: 61 | if (rtdb_get(rtdb,'vib:project',MT_LOG,1,dum_log)) then | 2 ...... 95 | & (rtdb,'vib:remass:count',mt_int,1,num_new_masses)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling vib_setup.F... Compiling vib_tors.F... Compiling vib_transp.F... Compiling vib_vib.F... Compiling vib_wmatrix.F... Compiling vib_wrtfreq.F... vib_wrtfreq.F:199:50: 194 | if (.not.rtdb_put(rtdb,'vib:linear',mt_log,1,.true.)) | 2 ...... 199 | if(.not. rtdb_put(rtdb,'vib:zpe',MT_DBL,1,ezero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling vib_zmatin.F... Compiling vib_intense.F... Compiling vib_istep.F... vib_istep.F:252:33: 248 | & mt_dbl,1,step_size)) then | 2 ...... 252 | & mt_log,1,overwrite_files)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling vib_thermo.F... vib_thermo.F:105:72: 105 | S_elec = R_gas*log(dble(multiplicity)) | ^ Warning: 'r_gas' may be used uninitialized [-Wmaybe-uninitialized] vib_thermo.F:47:28: 47 | double precision R_gas | ^ note: 'r_gas' was declared here vib_thermo.F:109:72: 109 | G_elec = H_elec - Temp * S_elec | ^ Warning: 'temp' may be used uninitialized [-Wmaybe-uninitialized] vib_thermo.F:46:27: 46 | double precision Temp | ^ note: 'temp' was declared here Compiling vib_phonon.F... vib_phonon.F:1127:30: 1125 | call yscal(2*nion3*nion3,1.0d6,dmat,1) | 2 1126 | call jheev('N','U',nion3,dmat,nion3,wp,work,lwork,rwork,ierr) 1127 | call yscal(nion3,1.0d-6,wp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). vib_phonon.F:53:52: 53 | if (.not.rtdb_get(rtdb,'vib:animate',mt_log,1,animate)) | 1 ...... 584 | if(.not. rtdb_get(rtdb,'vib:scalefreq',MT_DBL,1,scalefreq)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vib_phonon.F:156:72: 156 | > hess,dbl_mb(hessadjust(1))) | 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) Compiling vib_zone_input.F... vib_zone_input.F:138:26: 130 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 138 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling vib_input.F... vib_input.F:70:51: 61 | if (.not.rtdb_put(rtdb,'vib:animate',mt_log,1,.true.)) | 2 ...... 70 | & 'vib:animate:step_size',mt_dbl,1,animate_step)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Compiling vib_callg.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Making libraries in mcscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Compiling mcscf.F... mcscf.F:843:52: 843 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 1 ...... 891 | if (.not.rtdb_get(rtdb,'mcscf:prof',MT_LOG,1,omcscfprof)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mcscf.F:863:60: 863 | if (.not. rtdb_put(rtdb, 'mcscf:nclosed', mt_int, 1, nclosed)) | 1 ...... 902 | if (.not.rtdb_put(rtdb,'scf:pstat',MT_LOG,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling mcscf_b.F... mcscf_b.F:222:52: 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 ...... 222 | $ call ga_put(g_dens, aoff, aend, aoff, aend, dm1, nact ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mcscf_b.F:97:51: 97 | $ call ga_put(g_tmp, aoff, aend, aoff, aend, dm1, nact ) | 1 ...... 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mcscf_aux.F... mcscf_aux.F:337:58: 335 | if (.not. rtdb_get(rtdb, 'mcscf:tol2e', MT_DBL, 1, tol2e)) | 2 336 | $ tol2e = 1d-9 337 | if (.not.rtdb_get(rtdb, 'mcscf:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mcscf_aux.F:985:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 985 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:998:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 998 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1010:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1010 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1468:32: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1468 | call ga_put(g_u,i,i,i,i,1.d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1473:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1473 | call ga_put(g_u,ii,ii,ii,ii,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1474:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1474 | call ga_put(g_u,jj,jj,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1476:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1476 | call ga_put(g_u,ii,ii,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1477:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1477 | call ga_put(g_u,jj,jj,ii,ii,-xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_ci.F... mcscf_ci.F:158:59: 81 | if (.not.rtdb_get(rtdb,'mcscf:cimaxiter',MT_INT,1,maxiter)) | 2 ...... 158 | if (rtdb_get(rtdb,'mcscf:guess',MT_INT,(nela+nelb),itmp)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mcscf_etr.F... Compiling mcscf_fcore.F... Compiling mcscf_fock.F... mcscf_fock.F:576:40: 574 | $ nclosed+1,nclosed+nact,nclosed+1,nclosed+nact, dm1, nact) | 2 575 | do p = 1, nclosed 576 | call ga_put(g_gfock,p,p,p,p,2.0d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_hdiag.F... Compiling mcscf_ohv.F... Compiling mcscf_ohv1e.F... Compiling mcscf_ohv2e.F... Compiling mcscf_ohvao.F... Compiling mcscf_ohvmo.F... Compiling mcscf_orb.F... mcscf_orb.F:112:60: 104 | if (.not. rtdb_get(rtdb,'mcscf:tol2e',MT_DBL,1,tol2e)) then | 2 ...... 112 | if (.not. rtdb_get(rtdb,'mcscf:hessiantype',MT_INT,1,pflg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mcscf_prcnd.F... Compiling mcscf_debug.F... Compiling mcscf_input.F... mcscf_input.F:75:59: 67 | if (.not. rtdb_put(rtdb, 'mcscf:thresh', mt_dbl, 1, conv)) | 2 ...... 75 | if (.not. rtdb_put(rtdb, 'mcscf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Making all in detci make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' Compiling detci_aux.F... Compiling detci_intf.F... detci_intf.F:919:22: 373 | call ga_dgop(msg_detci_maxsync, detci_absync_etime, | 2 ...... 919 | call ga_dgop(1, twopdm, nn*nn, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' Compiling detci_dens.F... Compiling detci_diag.F... Compiling detci_sigma.F... Compiling detci_spin.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Making libraries in prepar make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' Compiling prepar.F... Compiling pre_admin.F... pre_admin.F:178:72: 178 | return | ^ Warning: '__result_pre_admin' may be used uninitialized [-Wmaybe-uninitialized] pre_admin.F:1:32: 1 | logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) | ^ note: '__result_pre_admin' was declared here Compiling pre_align.F... Compiling pre_ang.F... Compiling pre_atmscn.F... Compiling pre_atnam.F... Compiling pre_atnum.F... Compiling pre_atom_index.F... Compiling pre_atrad.F... Compiling pre_atype.F... Compiling pre_base.F... Compiling pre_bnd.F... Compiling pre_bonds.F... Compiling pre_boxsiz.F... Compiling pre_center.F... Compiling pre_charge.F... pre_charge.F:190:51: 131 | if(.not.rtdb_put(irtdb,'charge',mt_dbl,1,charge)) | 2 ...... 190 | if(.not.rtdb_put(irtdb,'esp:newgrd',mt_int,1,newgrd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling pre_check.F... Compiling pre_collaps.F... Compiling pre_crop.F... Compiling pre_dih.F... Compiling pre_dihimp.F... Compiling pre_dihsel.F... Compiling pre_dimens.F... Compiling pre_disres.F... Compiling pre_dummy.F... Compiling pre_equiv.F... Compiling pre_excl.F... Compiling pre_ffield.F... pre_ffield.F:299:13: 299 | elseif(jcomb.eq.2) then | ^ Warning: 'jcomb' may be used uninitialized [-Wmaybe-uninitialized] pre_ffield.F:39:56: 39 | integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb | ^ note: 'jcomb' was declared here Compiling pre_fix.F... Compiling pre_frgsiz.F... Compiling pre_frgrd.F... Compiling pre_gensgm.F... Compiling pre_his.F... Compiling pre_hnames.F... Compiling pre_hybrid.F... Compiling pre_imp.F... Compiling pre_input.F... pre_input.F:1239:72: 1239 | if(.not.inp_i(icolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1240:72: 1240 | if(.not.inp_i(jcolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1874:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1874 | if(.not.rtdb_put(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1885:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1885 | if(.not.rtdb_put(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1890:52: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1890 | if(.not.rtdb_put(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_input.F:1900:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1900 | if(.not.rtdb_put(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1902:59: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1902 | if(.not.rtdb_put(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_links.F... pre_links.F:251:9: 251 | if(pre_protein(cseq(1,i))) goto 14 | 1 Warning: Missing actual argument for argument '_formal_15' at (1) Compiling pre_master.F... Compiling pre_merge.F... pre_merge.F:88:37: 88 | + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 | ^ Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:24: 14 | character*1 altloc,chain | ^ note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:36: 95 | + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 | ^ Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:30: 14 | character*1 altloc,chain | ^ note: 'chain[1]{lb: 1 sz: 1}' was declared here Compiling pre_misfit.F... Compiling pre_mkfrg.F... Compiling pre_mklist.F... Compiling pre_mknoe.F... Compiling pre_mkrst.F... Compiling pre_mkseq.F... Compiling pre_mksgm.F... Compiling pre_mktop.F... Compiling pre_modify.F... Compiling pre_multip.F... Compiling pre_namiup.F... Compiling pre_natyps.F... Compiling pre_nonbon.F... Compiling pre_nucleic.F... Compiling pre_orient.F... Compiling pre_params.F... Compiling pre_parcnv.F... Compiling pre_paths.F... Compiling pre_paths2.F... Compiling pre_pdbseq.F... Compiling pre_pdbsiz.F... Compiling pre_protein.F... Compiling pre_rdgeom.F... Compiling pre_rdpdb.F... Compiling pre_rstmod.F... Compiling pre_rdrst.F... Compiling pre_rdseq.F... Compiling pre_rdsgm.F... Compiling pre_removw.F... Compiling pre_rename.F... Compiling pre_repeat.F... Compiling pre_rot.F... Compiling pre_rotate.F... Compiling pre_rstsiz.F... Compiling pre_rtdbin.F... pre_rtdbin.F:90:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 90 | if(.not.rtdb_get(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:96:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 96 | if(.not.rtdb_get(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:101:52: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 101 | if(.not.rtdb_get(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_rtdbin.F:106:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 106 | if(.not.rtdb_get(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:108:59: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 108 | if(.not.rtdb_get(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_rtdbsq.F... Compiling pre_select.F... pre_select.F:45:40: 45 | call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) | 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) Compiling pre_seqsiz.F... Compiling pre_sgmfil.F... Compiling pre_sgmndx.F... Compiling pre_sgmnum.F... Compiling pre_sgmsiz.F... Compiling pre_short.F... Compiling pre_slvnum.F... Compiling pre_slvrd.F... Compiling pre_slvsiz.F... Compiling pre_solvat.F... Compiling pre_task.F... Compiling pre_term.F... Compiling pre_third.F... Compiling pre_toprd.F... Compiling pre_topsiz.F... Compiling pre_torang.F... Compiling pre_transl.F... Compiling pre_wrtnam.F... Compiling pre_wrtnoe.F... Compiling pre_wrtpdb.F... Compiling pre_wrtpmf.F... Compiling pre_wrtpov.F... Compiling pre_wrtrst.F... Compiling pre_wrtseq.F... Compiling pre_wrtsgm.F... Compiling pre_wrttop.F... Compiling pre_wrtxyz.F... Compiling pre_impctr.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' Making libraries in esp make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' Compiling esp.F... Compiling esp_dalloc.F... Compiling esp_denmat.F... Compiling esp_elemom.F... Compiling esp_esp.F... Compiling esp_fastesp.F... Compiling esp_getden.F... Compiling esp_fit.F... Compiling esp_getg.F... Compiling esp_getx.F... Compiling esp_grdcnt.F... Compiling esp_grid.F... esp_grid.F:70:31: 29 | call ga_brdcst(mre_013,v,ngrid*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 ...... 70 | call ga_brdcst(mre_001,ngrid,ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling esp_input.F... esp_input.F:441:53: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 441 | if(.not.rtdb_put(irtdb,'esp:radius',mt_dbl,107,radius)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_input.F:444:51: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 444 | if(.not.rtdb_put(irtdb,'esp:nconst',mt_int,1,nconst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_input.F:451:54: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 451 | if(.not.rtdb_put(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_malloc.F... Compiling esp_matinv.F... Compiling esp_out.F... Compiling esp_plt.F... Compiling esp_rms.F... Compiling esp_rtdbin.F... esp_rtdbin.F:67:53: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 67 | if(.not.rtdb_get(irtdb,'esp:radius',mt_dbl,107,radius)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_rtdbin.F:176:51: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 176 | if(.not.rtdb_get(irtdb,'esp:nconst',mt_int,1,nconst)) nconst=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_rtdbin.F:182:54: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 182 | if(.not.rtdb_get(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_wrtinp.F... Compiling esp_jacobi.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' Making libraries in hessian make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Compiling hess_blas.F... hess_blas.F:161:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 161 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hess_blas.F:183:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 183 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_input.F... hess_input.F:40:63: 32 | if (.not. rtdb_put(rtdb,'hess:pstat', MT_LOG, 1, .true.)) | 2 ...... 40 | if (.not. rtdb_put(rtdb, 'hessian:thresh', mt_dbl, 1, conv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Making all in analytic make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' Compiling hess_anal.F... Compiling hess_init.F... hess_init.F:203:57: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 203 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hess_init.F:244:55: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 244 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, dftnoc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_energyinit.F... hess_energyinit.F:63:60: 32 | $ call errquit('hess_energyinit: theory not specified',555, | 2 ...... 63 | $ call errquit('hess_energyinit: rtdb_put failed',ithresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hess_energyinit.F:112:9: 59 | if (rtdb_get(rtdb, 'hessian:thresh', MT_DBL,1, ithresh)) then | 2 ...... 112 | & itol2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hess_energyinit.F:118:9: 62 | if (.not. rtdb_put(rtdb, 'scf:thresh', MT_DBL, 1, ithresh)) | 2 ...... 118 | & itol2e))call errquit('hessint:rtdbput failed',1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling hess_check.F... hess_check.F:53:57: 37 | if (.not. rtdb_get(rtdb, 'dyall_mod_dir', MT_LOG, 1, dmd_rel)) | 2 ...... 53 | if (.not. rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nucdd_cont.F... Compiling nucdd_calc.F... Compiling oned_calc.F... Compiling onedd_cont.F... Compiling get_wdens.F... Compiling onedd_calc.F... Compiling hess_dipder.F... Compiling twodd_cont.F... Compiling twodd_coul_ex.F... Compiling shell_fock_build.F... shell_fock_build.F:851:26: 418 | call ga_igop(375,dorep_glob,1, '+') | 2 ...... 851 | call ga_igop(65331, cache_hitmiss, 12, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) shell_fock_build.F:1329:32: 626 | D d_ij,1,d_kl,1) | 2 ...... 1329 | call ycopy(nfock*idim, 0d0, 0,f_ij(1,1,j), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling shell_fock_build_cam.F... Compiling hess_cphf.F... hess_cphf.F:1212:61: 1209 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 1212 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling hess_pxfy.F... Compiling hess_sxsy.F... Compiling sx_dra.F... sx_dra.F:105:51: 41 | call nga_copy_patch('N', g_sx, loa, hia, g_temp, lob, hib) | 2 ...... 105 | call nga_copy_patch('N', g_temp, lob, hib, g_sx, loa, hia) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_wrt.F... Compiling hess_restart.F... Compiling hess_hssout.F... Compiling hess_print.F... Compiling hess_tidy.F... hess_tidy.F:77:59: 23 | * call errquit('hess_tidy: geom_destroy problem', 555, GEOM_ERR) | 2 ...... 77 | $ call errquit('hess_energytidy: rtdb_put failed',tthresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling uhf_fock_setup.F... Compiling uhf_fock_finish.F... Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... Compiling hess_utils.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' Making all in dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' Compiling xc_d2expl.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' Compiling xc_cpks_coeff.F... Compiling xc_exit_index.F... Compiling xc_init_index.F... Compiling xc_nucder_gen.F... xc_nucder_gen.F:26:43: 26 | , g_dens, nactive, oactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) xc_nucder_gen.F:53:38: 53 | , g_dens, nactive, oactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dft_3dacc.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a hess_blas.o hess_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Making libraries in selci make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' Compiling iprtri.F... Compiling prtri.F... Compiling selci_icopy.f... Compiling selci_yacobi.f... Compiling tred1.f... Compiling tqlrat.f... tqlrat.f:152:13: 152 | if (dabs(e2(l)) .le. dabs(c/h)) go to 210 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:26: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'c' was declared here tqlrat.f:145:72: 145 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:24: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'b' was declared here Compiling loadw.F... Compiling rdhint.F... Compiling rdhcon.f... Compiling rdhwmt.f... Compiling rdconf.f... Compiling upkcon.F... Compiling prtcon.f... Compiling wrtcon.f... Compiling iodiff.F... Compiling bserch.F... Compiling readh.F... Compiling selci_renorm.f... Compiling selci_sread.f... Compiling selci_swrite.f... Compiling pkcon.F... Compiling wthcon.f... Compiling wtconf.f... Compiling vadd.f... Compiling idmin.f... Compiling isum.f... Compiling rd1.F... rd1.F:272:23: 189 | call ifill(nuw,0,u,1) | 2 ...... 272 | call ifill(nuw,0,u,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/LOGICAL(1)). rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) Compiling fcidim.F... Compiling axb.f... Compiling axbt.f... Compiling gettim.f... Compiling cputm.c... Compiling minit.F... Compiling mxmb.f... Compiling selci_check.f... Compiling davids.F... davids.F:185:26: 167 | call ga_brdcst(101, ci(1,1,nvec), mdtob(nroot*nci), 0) | 2 ...... 185 | call ga_brdcst(102, ndone, mitob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'ioconf' at (1); passed REAL(8) to INTEGER(8) Compiling sigma.F... Compiling conf.F... conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(8) conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ixstak' at (1); passed REAL(8) to INTEGER(8) conf.F:171:54: 115 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 171 | if (.not. rtdb_get(rtdb,'scf:nopen', mt_int, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). conf.F:56:72: 56 | call selci_start(rtdb, title, q(irefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'jrefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) Compiling ci.F... Compiling initci.F... Compiling rdhead.F... Compiling load.F... Compiling loada.F... Compiling mkinta.F... Compiling pconls.F... Compiling makeh.F... Compiling mkindb.f... Compiling eij.F... Compiling eijeji.F... Compiling makehd.F... Compiling makef.F... Compiling loadg.F... Compiling getij.F... Compiling makehs.F... Compiling eirerj.F... Compiling loadab.F... Compiling couple.c... Compiling gtijkl.F... Compiling eijkj.F... Compiling makhdb.F... Compiling eijil.F... Compiling mknsneed.F... Compiling eijkl.F... Compiling putinb.F... Compiling inicij.F... Compiling ointer.F... Compiling oeq.f... Compiling selci_select.F... selci_select.F:45:24: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 44 | call ga_brdcst(9,iwpt,mitob(1),0) 45 | call ga_brdcst(10,repnuc,lencib,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). selci_select.F:122:25: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 ...... 122 | call ga_brdcst(191,map,mitob(norbs),0) ! sorted orbitals by occ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling selci.F... selci.F:110:59: 76 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 110 | if (.not. rtdb_get(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). selci.F:186:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 186 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:224:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 224 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:228:29: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 228 | $ mt_dbl, nroot, rootspt)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ptidy.F... ptidy.F:46:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 46 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:49:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 49 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ptidy.F:74:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 74 | call rcv(23, eptn, mdtob(nroot), len, islave, node, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:78:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 78 | call rcv(26, irangen, mitob(21), len, islave, node, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling anal.F... Compiling mkindx.F... Compiling slect.F... Compiling tester.F... Compiling mkdele.F... Compiling mkvc.F... Compiling e0mp2.F... Compiling mpdele.F... Compiling stool.F... stool.F:74:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 74 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:77:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 77 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stool.F:100:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 100 | call rcv(23, eptn, mdtob(nroot), len, islave, node, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:106:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 106 | call rcv(26, irangen, mitob(nrange), len, islave, node, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling restk.F... Compiling restin.F... Compiling orbanal.F... Compiling selci_hpp.F... Compiling mxma.f... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a iprtri.o prtri.o selci_icopy.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' Making libraries in dplot make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' Compiling dplot.F... dplot.F:107:52: 87 | & lgaussian)) then | 2 ...... 107 | If (.not.rtdb_get(rtdb,'dplot:iroot',mt_int,1,iroot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dplot.F:44:61: 44 | Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off | ^ Warning: 'atom_off' may be used uninitialized [-Wmaybe-uninitialized] Compiling get_grid.F... Compiling create_contour.F... Compiling dmat.F... Compiling errmem.F... Compiling get_dens.F... Compiling dplot_input.F... dplot_input.F:299:58: 295 | & lgaussian)) call errquit('dpinput:rtdbwr failed',11,0) | 2 ...... 299 | If (.not.rtdb_put(rtdb,'dplot:Ext_From_To',mt_dbl,6,Ext_From_To)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling get_charges.F... Compiling dplot_defgrid.F... Compiling dplot_dump.F... Compiling dplot_dos.F... dplot_dos.F:86:11: 84 | & 1,nstep)) nstep=1000 | 2 85 | if (.not.rtdb_get(rtdb,'dplot:dos_sigma',mt_dbl, 86 | & 1,sigma)) sigma=0.025d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ao_rdm_read.F... ao_rdm_read.F:123:72: 123 | return | ^ Warning: '__result_ao_rdm_read' may be used uninitialized [-Wmaybe-uninitialized] ao_rdm_read.F:1:34: 1 | logical function ao_rdm_read(filename,basis, g_dens) | ^ note: '__result_ao_rdm_read' was declared here Compiling get_transden.F... get_transden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_transden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_diffden.F... get_diffden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_diffden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' Making libraries in mp2_grad make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Compiling mp2_grad.F... mp2_grad.F:44:54: 37 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 44 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_energy.F... mp2_energy.F:153:11: 96 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 153 | $ nva_frozen)) nva_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mp2_energy.F:645:47: 372 | $ noa_frozen,1) | 2 ...... 645 | call ecce_print1('total energy', mt_dbl, e_total, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mp2_energy.F:647:63: 148 | $ noa_frozen)) | 2 ...... 647 | if(.not. rtdb_put(rtdb,'mp2:correlation energy',mt_dbl,1,e2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_grad_doit.F... mp2_grad_doit.F:143:50: 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then | 1 ...... 560 | $ MT_INT, 1, mp2_eaftype)) mp2_eaftype= | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_make_cphf_rhs.F... Compiling mp2_make_tot_dens.F... Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... Compiling mp2_pstat.F... Compiling mp2_input.F... mp2_input.F:126:56: 48 | if (.not. rtdb_put(rtdb, 'mp2:aotol2e', mt_dbl, 1, aotol2e)) | 2 ...... 126 | if (.not. rtdb_put(rtdb, 'mp2:scs', mt_log, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling mp2_make_piy.F... Compiling mp2_make_nos.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Compiling mp2_back_transform.F... mp2_back_transform.F:377:55: 374 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 377 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_read_tiajb.F... Compiling mp2_pijab_uhf.F... mp2_pijab_uhf.F:109:55: 106 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 109 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_wijab_uhf.F... mp2_wijab_uhf.F:102:55: 99 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 102 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_lai_uhf.F... mp2_lai_uhf.F:84:55: 81 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 84 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_lai_fock_uhf.F... Compiling mp2_memory.F... mp2_memory.F:242:24: 79 | call ga_igop(543, nnbf_sparse, 1, '+') | 2 ...... 242 | call ga_igop(542, max_file, 1, 'max') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_make_tuhf.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Making libraries in qhop make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' Compiling qhop_setup.F... qhop_setup.F:357:39-48: 357 | read(lfnhdb,1005) (zpef(numpar+1,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:434:32-41: 434 | write(lfntop,1005)(zpef(i,m),m=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) Compiling qhop_asite.F... Compiling qhop_dsite.F... Compiling qhop_prob.F... Compiling qhop_init.F... qhop_init.F:185:35-44: 185 | read(lfntop,1005) (zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:197:35-44: 197 | write(lfnout,1005)(zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:88:28: 45 | call ga_brdcst(hop_01,idata,9*numbi,0) | 2 ...... 88 | call ga_brdcst(hop_06,dbl_mb(i_racs),2*mxar*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qhop_pindex.F... Compiling qhop_final.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' Making libraries in property make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' Compiling hnd_efgmap.F... hnd_efgmap.F:115:15: 99 | if (rtdb_get(rtdb,'cosmo:nefc',mt_int,1,ncosbq).and.(ncosbq.gt.0)) | 2 ...... 115 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap.F:250:49: 248 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 249 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 250 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_efgmap_z4.F... hnd_efgmap_z4.F:941:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 941 | call ga_get(g_a,i,i,i,i,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:947:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 947 | call ga_get(g_a,i,i,j,j,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:1067:44: 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 ...... 1067 | & mt_int,nat_slc,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_efgmap_z4.F:316:15: 316 | & dbl_mb(k_efcc))) call | 1 ...... 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap_z4.F:478:49: 476 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 477 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 478 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_elfmap.F... hnd_elfmap.F:140:35: 57 | if(.not.rtdb_get(rtdb,'bqforceprint',mt_log,1,bqprint)) | 2 ...... 140 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). hnd_elfmap.F:275:44: 274 | call ecce_print1('EField components',MT_DBL,elf,3) | 2 275 | call ecce_print1('EField',MT_DBL,elfld,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_elpmap.F... hnd_elpmap.F:147:35: 125 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 147 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling hnd_eldmap.F... Compiling hnd_elpiso.F... Compiling hnd_spind.F... hnd_spind.F:214:59: 136 | call ecce_print1('fermi contact',MT_DBL,aiso,1) | 2 ...... 214 | call ecce_print1('spin-dipole eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_elfcon.F... Compiling hnd_elfcon_symm.F... Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... hnd_mtpole.F:485:60: 481 | if (.not. rtdb_get(rtdb, 'prop:center', mt_int, 1, i_expan)) | 2 ...... 485 | if (.not. rtdb_get(rtdb, 'prop:center_val',mt_dbl,3,cm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_mtpole.F:938:72: 938 | do i = 1, ndens | ^ Warning: 'ndens' is used uninitialized [-Wuninitialized] hnd_mtpole.F:783:29: 783 | integer g_dens(3),ndens,nclosed(2),nopen(2),nvirt(2) | ^ note: 'ndens' was declared here Compiling prop_input.F... prop_input.F:886:43: 868 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 886 | if(.not.rtdb_put(rtdb,tag,mt_dbl,1,f3)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). prop_input.F:419:26: 419 | if (inp_f(iso)) then | 1 ...... 876 | if(.not.inp_f(f3(i))) exit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling prop.F... prop.F:59:48: 48 | if (.not.rtdb_get(rtdb,'prop:do_fockbuild',MT_LOG,1,do_fockbuild)) | 2 ...... 59 | if (rtdb_get(rtdb,'prop:nbofile',MT_INT,1,nbofile)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling prp.F... Compiling hnd_mulken.F... Compiling wnbofile.F... Compiling wefgfile.F... Compiling whypfile.F... whypfile.F:302:72: 302 | open (lfn, file=fname_hyp, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] whypfile.F:82:17: 82 | integer lfn | ^ note: 'lfn' was declared here Compiling wgshiftfile.F... wgshiftfile.F:316:72: 316 | open (lfn, file=fname_gshift, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wgshiftfile.F:85:17: 85 | integer lfn | ^ note: 'lfn' was declared here Compiling wshldfile.F... wshldfile.F:296:72: 296 | open (lfn, file=fname_shield, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wshldfile.F:73:17: 73 | integer lfn | ^ note: 'lfn' was declared here Compiling hnd_prp_get_dens.F... Compiling hnd_prp_vec_read.F... Compiling hnd_prop_dens_make.F... Compiling hnd_property.F... hnd_property.F:96:50: 83 | if (.not. rtdb_get(rtdb, 'prop:nocheck',mt_log, 1, nocheck)) then | 2 ...... 96 | status=rtdb_get(rtdb,'prop:gshift',MT_INT,1,gshift) ! FA-09-16-10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_property.F:188:13: 182 | & job_grid_acc))call errquit('hnd_property:rtdbput failed', | 2 ...... 188 | & .false.)) call errquit('hnd_property:rtdbput failed',2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling giaofock.F... giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here giaofock.F:127:72: 127 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:23:23: 23 | integer npol,ntot | ^ note: 'ntot' was declared here giaofock.F:151:72: 151 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:42:33: 42 | double precision factor_cam,cam_alpha1,cam_beta1 | ^ note: 'factor_cam' was declared here giaofock.F:478:72: 478 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:366:23: 366 | integer npol,ntot | ^ note: 'ntot' was declared here giaofock.F:503:72: 503 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:388:44: 388 | & cam_alpha1,cam_beta1,factor_cam | ^ note: 'factor_cam' was declared here Compiling hnd_giaox.F... hnd_giaox.F:287:64: 284 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 287 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_giaox.F:832:60: 830 | call ecce_print1('shielding isotropic',MT_DBL,isotr,1) | 2 831 | call ecce_print1('shielding anisotropy',MT_DBL,aniso,1) 832 | call ecce_print1('shielding eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_hyperfine_zora.F... hnd_hyperfine_zora.F:307:32: 121 | status=rtdb_get(rtdb,'prop:hypfile',mt_int,1,hypfile) ! for NLMO analysis | 2 ...... 307 | & mt_log,1,skip_cphf_ev_hyp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:324:55: 230 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 324 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:591:60: 589 | call ecce_print1('hyperfine isotropic',MT_DBL,isotr,1) | 2 590 | call ecce_print1('hyperfine anisotropy',MT_DBL,aniso,1) 591 | call ecce_print1('hyperfine eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:568:43: 568 | & span*conv2MHz, | ^ Warning: 'conv2mhz' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:52: 37 | double precision a(6),axs(3,3),eig(3),conv2MHz | ^ note: 'conv2mhz' was declared here Compiling hnd_gshift_zora.F... hnd_gshift_zora.F:2750:57: 2744 | & mt_log,1,skip_csAOev)) | 2 ...... 2750 | status=rtdb_get(rtdb,'prop:shldfile' ,mt_int,1,shldfile) ! for NLMO analysis | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_gshift_zora.F:4308:19: 3123 | & vectors, ! in: MOs | 2 ...... 4308 | & g_dens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:4337:18: 3157 | & vectors, ! in: MOs | 2 ...... 4337 | & g_sdens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:2151:24: 2151 | call ga_print(vectors) | 1 ...... 5992 | call ga_print(g_munuEPRdia) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:353:60: 267 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 353 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_gshift_zora.F:1141:59: 1139 | call ecce_print1('g-shifts isotropic',MT_DBL,isotr,1) | 2 1140 | call ecce_print1('g-shifts anisotropy',MT_DBL,aniso,1) 1141 | call ecce_print1('g-shifts eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:5074:34: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_coul' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:46: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_exch' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:58: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_nojk' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5075:32: 5075 | & val_ov_1e,val_ov_eSji | ^ Warning: 'val_ov_1e' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5204:72: 5204 | par_arr(9,iy,ix)=val_ov_eSji*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_esji' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5075:44: 5075 | & val_ov_1e,val_ov_eSji | ^ note: 'val_ov_esji' was declared here hnd_gshift_zora.F:2125:72: 2125 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:2058:25: 2058 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here hnd_gshift_zora.F:4939:72: 4939 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:4881:25: 4881 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here Compiling hnd_giaox_zora.F... hnd_giaox_zora.F:352:60: 256 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 352 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:681:32: 224 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, npol)) then | 2 ...... 681 | & mt_log,1,skip_cphf_ev_shield)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:1072:61: 1070 | call ecce_print1('shielding isotropic' ,MT_DBL,isotr,1) | 2 1071 | call ecce_print1('shielding anisotropy' ,MT_DBL,aniso,1) 1072 | call ecce_print1('shielding eigenvalues' ,MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling int_giao_1ega.F... int_giao_1ega.F:155:10: 155 | if (type.lt.9) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:42:18: 42 | integer type | ^ note: 'type' declared here int_giao_1ega.F:157:72: 157 | max1e = max1e*nblocks | ^ Warning: 'nblocks' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:45:21: 45 | integer nblocks | ^ note: 'nblocks' was declared here Compiling giao_aotomo.F... Compiling hnd_diag.F... Compiling hnd_spinspin.F... hnd_spinspin.F:299:54: 291 | call ecce_print1('index atom one',MT_INT,i,1) | 2 ...... 299 | call ecce_print1('spinspin isotropic',MT_DBL,isotr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling hnd_sdfc.F... Compiling hnd_psoten.F... Compiling hnd_dsoten.F... Compiling prop_atom.F... Compiling aoresponse_driver.F... aoresponse_driver.F:215:21: 179 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 215 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). aoresponse_driver.F:942:26: 704 | if (.not.ga_destroy(g_temp)) call | 2 ...... 942 | if (.not.ga_destroy(g_vectors)) call | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling aoresponse_driver_new.F... aoresponse_driver_new.F:256:21: 215 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 256 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling int_mpole_1ega.F... Compiling aoresponse.F... aoresponse.F:636:58: 624 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 2 ...... 636 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aoresponse_beta.F... aoresponse_beta.F:568:58: 560 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 568 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aor_write_roadata.F... Compiling aoresponse_beta2.F... aoresponse_beta2.F:452:58: 444 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 452 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling fiao_f1_movecs.F... fiao_f1_movecs.F:333:56: 290 | & mt_int, 1,index4cphf)) call | 2 ...... 333 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling aor_r1_tensor.F... aor_r1_tensor.F:391:72: 391 | & g_temp) ! in : scratch GA array | ^ Warning: 'coeffim' may be used uninitialized [-Wmaybe-uninitialized] aor_r1_tensor.F:128:52: 128 | double precision ga_trace_diag,coeffre,coeffim | ^ note: 'coeffim' was declared here Compiling aor_r1_tensor_giao.F... Compiling aor_r1_beta.F... Compiling aor_r1_beta_anl.F... Compiling giao_b1_movecs.F... giao_b1_movecs.F:355:26: 217 | & mt_int, 1,ndata)) call | 2 ...... 355 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fiao_b1_movecs.F... fiao_b1_movecs.F:217:26: 159 | & mt_int, 1,ndata)) call | 2 ...... 217 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling get_vecB1.F... Compiling get_vecF1.F... Compiling aor_get_fiaoints.F... Compiling aor_get_giaoints.F... aor_get_giaoints.F:269:61: 264 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 269 | if (.not. rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,ifld)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aoresponse_giao_rhs.F... aoresponse_giao_rhs.F:294:64: 291 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 294 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling get_alfaorbeta_reim.F... get_alfaorbeta_reim.F:411:72: 411 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:30: 367 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here get_alfaorbeta_reim.F:405:72: 405 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:25: 367 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:247:72: 247 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:30: 206 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here get_alfaorbeta_reim.F:241:72: 241 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:25: 206 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here Compiling CalcPerturbedTDPmat1.F... Compiling CalcPerturbedTDPmat1_opt.F... Compiling localization_driver.F... localization_driver.F:422:53: 271 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 422 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs, g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localization_driver.F:468:53: 271 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 468 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs,g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ibo_localization.F... ibo_localization.F:638:9: 638 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'noff' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:33: 66 | integer n1, n2, nsing, noff | ^ note: 'noff' declared here ibo_localization.F:638:9: 638 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'n1' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:16: 66 | integer n1, n2, nsing, noff | ^ note: 'n1' declared here ibo_localization.F:648:72: 648 | do jmo = 1,n2 | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:20: 66 | integer n1, n2, nsing, noff | ^ note: 'n2' declared here Compiling hnd_vec_write.F... Compiling giao_b1_movecs_tools.F... giao_b1_movecs_tools.F:78:60: 78 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .false.)) | 1 ...... 758 | $ calc_type_save)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling aor_r1_beta_anl_tools.F... Compiling task_raman.F... task_raman.F:525:51: 487 | & rmmodes*4, rminfo(1,1))) | 2 ...... 525 | status=rtdb_get(rtdb,'raman:aores0',mt_log,1,ramanspc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_raman.F:1268:14: 718 | if (.not. rtdb_put(rtdb,'raman:aores1',mt_int, 1,ii)) call ! FA-06-18-12 | 2 ...... 1268 | $ gamwidth_in)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling raman_input.F... raman_input.F:93:58: 71 | if (.not.rtdb_put(rtdb, 'prop:newaoresp', mt_int, 1,1)) | 2 ...... 93 | if (.not.rtdb_put(rtdb,'raman:hyperraman',mt_log,1,hyperraman)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling raman.F... raman.F:576:61: 375 | if (.not. rtdb_get(rtdb, 'raman:numpts ', mt_int,1 , numpts)) | 2 ...... 576 | if (.not. rtdb_get(rtdb, 'raman:alfare ', mt_dbl, 9, alfare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). raman.F:1160:31: 741 | 10 call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 ...... 1160 | call ga_brdcst(msg_frq,dbl_mb(k_scr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling waimfile.F... waimfile.F:618:61: 335 | if (.not. rtdb_get(rtdb, 'prop:nowfx',mt_log, 1, nowfx)) | 2 ...... 618 | $ , MT_DBL,1,etot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). waimfile.F:1238:72: 1238 | i=i+nsf*np | ^ Warning: 'nsf' may be used uninitialized [-Wmaybe-uninitialized] waimfile.F:1152:30: 1152 | integer np,iorb,forb,nsf | ^ note: 'nsf' was declared here waimfile.F:1152:21: 1152 | integer np,iorb,forb,nsf | ^ Warning: 'iorb' may be used uninitialized [-Wmaybe-uninitialized] waimfile.F:1152:26: 1152 | integer np,iorb,forb,nsf | ^ Warning: 'forb' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_eldmap_grid.F... hnd_eldmap_grid.F:111:35: 94 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 111 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling prop_moldenfile.F... Compiling prop_grid.F... prop_grid.F:38:55: 27 | if(.not.rtdb_get(rtdb,'prop:grid:pad',MT_DBL,3,pad)) then | 2 ...... 38 | if(.not.rtdb_get(rtdb,'prop:grid:ngrid',MT_INT,3,ngrid)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling prop_polfromsos.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o ibo_localization.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' Making libraries in solvation make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Compiling mnsol_mem.F... Compiling mnsol_interface.F... mnsol_interface.F:62:58: 54 | if (.not. rtdb_put(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 2 ...... 62 | if (.not. rtdb_put(rtdb, 'cosmo:dcds', mt_dbl,3*nat,dcds)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mnsol.F... mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'lab' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'ncnct' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'conect' at (1); passed REAL(8) to LOGICAL(8) mnsol.F:1436:31: 1436 | IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1562:42: 1562 | IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1785:43: 1785 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1788:43: 1788 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:56:19: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) mnsol.F:56:21: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'dcds' at (1) (rank-2 and scalar) mnsol.F:56:26: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'ian' at (1) (rank-1 and scalar) mnsol.F:56:52: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'x' at (1) (rank-1 and scalar) Compiling solv_data.F... Compiling cosmo_smd_output.F... Compiling cosmo_vem_output.F... Compiling cosmo_lebedev.F... Compiling cosmo_fibonacci.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Compiling cosmo_input.F... cosmo_input.F:181:51: 177 | $ rtdb_put(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 181 | $ rtdb_put(rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cosmo_initialize.F... cosmo_initialize.F:165:34: 163 | call ga_brdcst(msg_cosmo0,nmap, | 2 164 | > ma_sizeof(mt_int,1,mt_byte),0) 165 | call ga_brdcst(msg_cosmo1,crad, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cosmo_initialize.F:278:41: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 278 | O 'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cosmo_initialize.F:390:52: 171 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad(1))) | 2 ...... 390 | if (.not. rtdb_put(rtdb,'cosmo:icds',mt_int,1,icds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cosmo_initialize.F:475:54: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 475 | $ rtdb_get(rtdb,'cosmo:pol_cosmo_vem',mt_dbl,2,pol_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cosmo_tidy.F... Compiling cosmo_def_radii.F... cosmo_def_radii.F:271:52: 265 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 271 | $ status = rtdb_get(rtdb,'cosmo:sola',mt_dbl,1,sola) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling cosmo_charges.F... cosmo_charges.F:102:55: 83 | if(.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 102 | if(.not.rtdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cosmo_charges.F:346:72: 346 | do i = 1, ndens | ^ Warning: 'ndens' may be used uninitialized [-Wmaybe-uninitialized] cosmo_charges.F:263:19: 263 | integer ndens,nvirt(2) | ^ note: 'ndens' declared here Compiling grad_hnd_cos.F... grad_hnd_cos.F:197:23: 188 | $ dbl_mb(k_rad)) | 2 ...... 197 | $ int_mb(k_efciat))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). grad_hnd_cos.F:451:72: 451 | zeta12 = zeta1*zeta2/sqrt(zeta1**2+zeta2**2) | ^ Warning: 'zeta1' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:131:28: 131 | double precision zeta1, zeta2, zeta12 | ^ note: 'zeta1' was declared here grad_hnd_cos.F:491:72: 491 | dE = dz * fact | ^ Warning: 'fact' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:129:37: 129 | double precision dE, qfac, fact, dx, dy, dz, rr | ^ note: 'fact' was declared here Compiling hnd_cosmo_lib.F... hnd_cosmo_lib.F:897:55: 894 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 897 | if(.not.rtdb_put(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_cosmo_lib.F:612:32: 612 | $ iangleb.lt.1.and.fibonacci.lt.1) then | ^ Warning: 'dbug' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:402:22: 402 | logical dbug | ^ note: 'dbug' was declared here hnd_cosmo_lib.F:809:72: 809 | dbl_mb(k_efczz+ief-1) =zetai | ^ Warning: 'zetai' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:433:56: 433 | double precision ratm_real,dij,dum,cavdsp,pi,zetai,zetaii | ^ note: 'zetai' was declared here Compiling hnd_coschg.F... hnd_coschg.F:619:43: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 619 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_coschg.F:640:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 640 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1208:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1208 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1212:53: 921 | d dbl_mb(i20))) then | 2 ...... 1212 | if(.not.rtdb_put(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hnd_coschg.F:1280:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1280 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cosmo_thomson.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_lebedev.o cosmo_fibonacci.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o hnd_cosmo_lib.o hnd_coschg.o cosmo_thomson.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Making libraries in nwpw make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Compiling nwpw_input.F... nwpw_input.F:436:53: 349 | 1510 if (.not.rtdb_put(rtdb,'pspw_qmmm_auxon',mt_log,1,.true.)) | 2 ...... 436 | value = rtdb_put(rtdb,'band:dos-grid',mt_int,3,cell_expand) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nwpw_input.F:1467:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1467 | > mt_dbl,1,ff)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_input.F:1475:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1475 | > mt_int,1,nz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1631:62: 1462 | > mt_int,2,loop)) then | 2 ...... 1631 | if (.not.rtdb_get(rtdb,'nwpw:pspspin_count',mt_int,1,nz)) nz=0 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1784:56: 1462 | > mt_int,2,loop)) then | 2 ...... 1784 | if (.not.rtdb_get(rtdb,'nwpw:nuterms',mt_int,1,nuterms)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nwpw_default.F... nwpw_default.F:165:54: 151 | > frac_coord) | 2 ...... 165 | > btdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpw_vectors_input.F... nwpw_vectors_input.F:243:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 243 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_vectors_input.F:262:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 262 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Making all in nwpwlib make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making all in Parallel make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Compiling Parallel.F... Parallel.F:808:19: 626 | call ycopy(n,a,1,b,1) | 2 ...... 808 | call ycopy(n,0.0d0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:866:19: 685 | call scopy(n,a,1,b,1) | 2 ...... 866 | call scopy(n,0.0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:931:23: 626 | call ycopy(n,a,1,b,1) | 2 ...... 931 | call ycopy(n1,0.0d0,0,c(1,j),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling Parallel-mpi.F... Parallel-mpi.F:1342:72: 1342 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:210:72: 210 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:221:72: 221 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:387:72: 387 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:401:72: 401 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:414:72: 414 | call stupid_icopy8to4(np_k,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:584:28: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:584:34: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:782:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:782:39: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:783:22: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 783 | > MPI_DOUBLE_PRECISION, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:22: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:30: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:41: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:819:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:819:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:822:19: 785 | call ycopy(n,sumall(1),1,sum,1) | 2 ...... 822 | call ycopy(n,sumall,1,sum0,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Parallel-mpi.F:872:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 872 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:973:72: 973 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:978:72: 978 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1071:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1071 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1117:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1117 | call MPI_Bcast(isum4,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:1169:72: 1169 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1172:72: 1172 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1267:72: 1267 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1616:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 1616 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1683:72: 1683 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1688:72: 1688 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1785:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1785 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1889:72: 1889 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1892:72: 1892 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2106:27: 1975 | call MPI_IRECV(A2, | 2 ...... 2106 | call MPI_IRECV(IA2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2124:27: 1991 | call MPI_ISEND(A1, | 2 ...... 2124 | call MPI_ISEND(IA1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2264:72: 2264 | call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2268:20: 2225 | call MPI_SEND(rval,stupid_msglen,stupid_double, | 2 ...... 2268 | call MPI_SEND(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2399:20: 2348 | call MPI_RECV(rval,stupid_msglen,stupid_double, | 2 ...... 2399 | call MPI_RECV(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2403:72: 2403 | call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a Parallel.o Parallel-mpi.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Making all in D1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Compiling D1dB.F... Compiling Dne.F... Dne.F:3216:22: 1027 | > Ain(shift), 2*npack1, | 2 ...... 3216 | > A(shift2), n, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:3219:22: 1030 | > Aout(shift),2*npack1) | 2 ...... 3219 | > C(shift2), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2996:19: 1210 | > A1(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2996 | > A(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2999:19: 1213 | > A2(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2999 | > B(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1086:19: 1086 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3181 | > A(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1093:19: 1093 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3188 | > C(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1686:68: 1686 | call Parallel_shared_vector_zero(.true.,2*(ne(1)+ne(2)),eig) | 1 ...... 5307 | call Parallel_shared_vector_zero(.true.,nall,B) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1787:47: 1787 | call ycopy(2*(ne(1)+ne(2)),0.0d0,0,eig,1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1814:39: 1814 | call ycopy(2*ne(ms)*ne(ms),hml(shift1),1,dbl_mb(tmp1(1)),1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1816:23: 1722 | > dcpl_mb(tmp1(1)),ne(ms), | 2 ...... 1816 | > dbl_mb(tmp1(1)),ne(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:23: 1724 | > U(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:41: 1725 | > V(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1819:23: 1726 | > dcpl_mb(tmp4(1)),2*ne(1)*ne(1), | 2 ...... 1819 | > dbl_mb(tmp2(1)),2*ne(1)*ne(1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2300:56: 2152 | call dscal_omp(n2ft3d,(1.0d0/L(indx0)),A(1,q),1) | 2 ...... 2300 | call DSCAL_OMP(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:2421:52: 2218 | call yscal(ne(ms),sum,U(shift),1) | 2 ...... 2421 | call yscal(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:4237:49: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:4237:51: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:5396:46: 5216 | > call D1dB_Brdcst_values(kcur,2*npack1,dcpl_mb(A(1))) | 2 ...... 5396 | call D1dB_Brdcst_values(kcur,1,RRM) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:6684:22: 4975 | > A(shift2), | 2 ...... 6684 | > m2cq(ms),int_mb(m2c(1,ms)),int_mb(n2c(1,ms)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Dne.F:7822:22: 948 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7822 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7829:22: 955 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7829 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7844:22: 990 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7844 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7851:22: 997 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7851 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7243:72: 7243 | > 'work1in',work1in(2),work1in(1)) | ^ Warning: 'mcin' may be used uninitialized [-Wmaybe-uninitialized] Dne.F:7198:23: 7198 | integer mcin(2,NBLOCKS),ncin(2,NBLOCKS) | ^ note: 'mcin' declared here Compiling Dnex.F... Compiling skew.F... Compiling Dne_omp.F... Dne_omp.F:595:19: 428 | > A(shift2), n, | 2 ...... 595 | > Ain(shift+mstart), 2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne_omp.F:598:19: 431 | > C(shift2), n) | 2 ...... 598 | > Aout(shift+mstart),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling D1dB-mpi.F... D1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling D1dBs-mpi.F... D1dBs-mpi.F:142:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 142 | call MPI_Allreduce(sum,real_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Making all in D3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Compiling D3dB-new.F... D3dB-new.F:1019:61: 993 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 2 ...... 1019 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:61: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:63: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1709:72: 1709 | call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1718:72: 1718 | call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1804:72: 1804 | call cshift1_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1810:72: 1810 | call zeroend_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1839:31: 1714 | call drfftb(nx(nb),A(indx),dcpl_mb(tmpx(1,nb))) | 2 ...... 1839 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1856:31: 1601 | call dcfftb(nz(nb),dcpl_mb(tmp2(1)),dcpl_mb(tmpz(1,nb))) | 2 ...... 1856 | call dcfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2249:72: 2249 | call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2409:72: 2409 | call cshift_fftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2491:31: 2247 | call drfftf(nx(nb),A((j-1)*nxh+1),dcpl_mb(tmpx(1,nb)+offset)) | 2 ...... 2491 | call drfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2508:31: 2304 | > dcpl_mb(tmpy(1,nb)+offset)) | 2 ...... 2508 | call dcfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling D3dBs-new.F... D3dBs-new.F:41:62: 18 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 2 ...... 41 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:62: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:64: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:573:72: 573 | call cshift1_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:582:72: 582 | call zeroend_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:641:72: 641 | call cshift1_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:647:72: 647 | call zeroend_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:673:31: 578 | call srfftb(nx(nb),A(indx),scpl_mb(tmpx(1,nb))) | 2 ...... 673 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:686:31: 513 | call scfftb(nz(nb),scpl_mb(tmp2(1)),scpl_mb(tmpz(1,nb))) | 2 ...... 686 | call scfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:852:72: 852 | call cshift_sfftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:956:72: 956 | call cshift_sfftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:1015:31: 850 | call srfftf(nx(nb),A((j-1)*nxh+1),scpl_mb(tmpx(1,nb)+offset)) | 2 ...... 1015 | call srfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:1028:31: 879 | > scpl_mb(tmpy(1,nb)+offset)) | 2 ...... 1028 | call scfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). Compiling generate_map_indexes.F... Compiling hilbert.c... hilbert.c: In function 'hilbert2d': hilbert.c:137:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] 137 | int start,direction; | ^~~~~~~~~ hilbert.c: In function 'hilbert_dir': hilbert.c:280:11: warning: 'direction' may be used uninitialized [-Wmaybe-uninitialized] 280 | return direction; | ^~~~~~~~~ hilbert.c:162:9: note: 'direction' was declared here 162 | int direction,parent_direction, | ^~~~~~~~~ Compiling hcurve.c... Compiling olist.c... Compiling trans.F... Compiling D3dB_pfft.F... D3dB_pfft.F:4018:35: 3762 | call ycopy((nx(id)+2)*ny(id)*nq(id),tmp2,1,tmp1,1) | 2 ...... 4018 | call ycopy(4*nfft3d(1)*aqmax,0.0d0,0,dcpl_mb(atmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:24: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:31: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:27: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:34: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:27: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:34: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:24: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:31: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling D3dBs_pfft.F... D3dBs_pfft.F:972:24: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:972:31: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:27: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:34: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:27: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:34: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:24: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:31: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). Compiling D3dB-mpi.F... D3dB-mpi.F:502:27: 502 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 ...... 692 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:534:26: 534 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 ...... 724 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:881:28: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:881:40: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:946:25: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 946 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:1127:17: 669 | call ycopy(msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 2 ...... 1127 | > tmp1(int_mb(i1_start(1,nbb)+1-1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:1128:17: 670 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 2 ...... 1128 | > tmp2(int_mb(i2_start(1,nbb)+1-1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:3257:29: 2766 | call dread(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 3257 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3312:29: 2814 | call MPI_RECV(tmp, | 2 ...... 3312 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4858:30: 4271 | call dwrite(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 4858 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:6107:21: 478 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 6107 | > tmp1(int_mb(ic1_start(1)+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6108:21: 479 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 6108 | > tmp2(int_mb(ic2_start(1)+1-1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6984:26: 693 | > stupid_msglen,stupid_double, | 2 ...... 6984 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dB-mpi.F:7037:27: 1621 | call MPI_ISEND(A(indx), | 2 ...... 7037 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(8)). D3dB-mpi.F:7038:27: 1622 | > stupid_msglen,stupid_complex, | 2 ...... 7038 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dB-mpi.F:629:23: 629 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] D3dB-mpi.F:426:23: 426 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] Compiling D3dBs-mpi.F... D3dBs-mpi.F:663:24: 90 | > tmp1(int_mb(i1_start(1,nb)+1-1)), | 2 ...... 663 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:664:24: 91 | > tmp2(int_mb(i2_start(1,nb)+1-1))) | 2 ...... 664 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:686:27: 114 | call MPI_IRECV(tmp2(int_mb(i2_start(1,nb)+it+1-1)), | 2 ...... 686 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:718:26: 146 | call MPI_SEND(tmp1(int_mb(i1_start(1,nb)+it+1-1)), | 2 ...... 718 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:3286:26: 115 | > stupid_msglen,stupid_scomplex, | 2 ...... 3286 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:3339:27: 1338 | call MPI_ISEND(A(indx), | 2 ...... 3339 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(4)). D3dBs-mpi.F:3340:27: 1339 | > stupid_msglen,stupid_scomplex, | 2 ...... 3340 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:5218:25: 5120 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 5218 | call MPI_Allreduce(sum,real_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dBs-mpi.F:421:23: 421 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] D3dBs-mpi.F:622:23: 622 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Making all in Pneb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Compiling Pneb.F... Pneb.F:2045:55: 2044 | call Parallela_Brdcst_values(1,MASTER,2*(vindex-1),V) | 2 2045 | call Parallela_Brdcst_values(1,MASTER,(sindex-1),S) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1589:54: 1589 | if (np.gt.1) call C3dB_Vector_SumAll(2*nsize,hml) | 1 ...... 3223 | if (np.gt.1) call C3dB_Vector_SumAll(nsize,hml) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:4542:51: 1097 | call Parallel_shared_vector_zero(.true.,2*nsize,w) | 2 ...... 4542 | call Parallel_shared_vector_zero(.true.,nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:4550:35: 4518 | call C1dB_Vector_SumAll(2*nall,B) | 2 ...... 4550 | call C1dB_Vector_SumAll(nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1268:72: 1268 | > dcpl_mb(mat_tmp(1)),hml) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) Pneb.F:2564:26: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2564:34: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:31: 2576 | > sum2) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2579:72: 2579 | call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:31: 2583 | > sum3) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2834:35: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2834:51: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:29: 3125 | > tmp) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:4472:72: 4472 | > dbl_mb(svec_shift)) | 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:5272:60: 5272 | > nbsize*4*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 1 ...... 5416 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5600:30: 1886 | call dscal_omp(2*nsize,alpha,hml,1) | 2 ...... 5600 | call DSCAL_OMP(nn,alpha,M,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5817:64: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5817:66: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5524:17: 5524 | real*8 sum | ^ Warning: 'sum' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5770:32: 5770 | integer nb,nb1,nb2,ishift3,ishift4,nbsize,nn,i | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5896:72: 5896 | shift1 = 1 + (ms-1)*ishift1 + (nb-1)*ishift3 | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5867:32: 5867 | integer nb,nb1,nb2,ishift3,ishift4 | ^ note: 'ishift3' was declared here Pneb.F:5979:72: 5979 | > 4*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5950:16: 5950 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here Pneb.F:6042:72: 6042 | > 8*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:6013:16: 6013 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a Pneb.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Making all in K1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Compiling K1dB.F... Compiling K1dB-mpi.F... K1dB-mpi.F:73:27: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:73:39: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:209:28: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 209 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a K1dB.o K1dB-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Making all in C1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Compiling C1dB.F... Compiling C1dB-mpi.F... C1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a C1dB.o C1dB-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Making all in C3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Compiling C3dB-new.F... C3dB-new.F:841:61: 828 | call Parallel_shared_vector_zero(.true.,2*nfft3d_map(nb),A) | 2 ...... 841 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:61: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:63: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:2037:35: 2011 | call RCV(9+MSGDBL,tmp(k),mdtob(msglen),rcv_len, | 2 ...... 2037 | call RCV(9+MSGINT,idum,mitob(msglen),rcv_len, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). C3dB-new.F:2039:35: 2010 | call SND(9+MSGINT,idum,mitob(msglen),source,1) | 2 ...... 2039 | call SND(9+MSGDBL,tmp,mdtob(msglen),dest,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). C3dB-new.F:3409:39: 3348 | call C3dB_Vector_SumAll(2,suma) | 2 ...... 3409 | call C3dB_Vector_SumAll(nn*ne,sumall) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_trans.F... Compiling C3dB_pfft.F... Compiling C3dB-mpi.F... C3dB-mpi.F:688:24: 492 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 688 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:689:24: 493 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 689 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:713:27: 517 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 ...... 713 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:745:26: 549 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 ...... 745 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:909:28: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:909:40: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:972:25: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 972 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-mpi.F:2881:29: 2605 | call dread(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 2881 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:2928:29: 2653 | call MPI_RECV(tmp, | 2 ...... 2928 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:4296:30: 3709 | call dwrite(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 4296 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:452:23: 452 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] C3dB-mpi.F:645:23: 645 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Making all in DMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Compiling DMatrix.F... Compiling DMatrix-mpi.F... DMatrix-mpi.F:1625:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1625 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1671:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1671 | call MPI_Bcast(v2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1892:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1892:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:3096:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3096 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:3141:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3141 | call MPI_Bcast(r2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a DMatrix.o DMatrix-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Making all in CMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Compiling CMatrix.F... Compiling CMatrix-mpi.F... CMatrix-mpi.F:1070:39: 288 | call Parallel_shared_vector_zero(.true.,ne0,Bcol(1+(j-1)*ne0)) | 2 ...... 1070 | > C) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1100:27: 1100 | call MPI_Bcast(work1,stupid_msglen, | 1 ...... 1244 | call MPI_Bcast(work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:25: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:31: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1138:51: 1138 | call DAXPY_OMP(nc(taskid_j+1),1.0d0,work1(shift),iwrk, | 1 ...... 1280 | > work2(shift),1, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1139:42: 1139 | > C(i+1,1),mc(taskid_i+1)) | 1 ...... 1281 | > C(1,j+1),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1849:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1849:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1941:27: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:1941:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:2186:59: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft3' may be used uninitialized [-Wmaybe-uninitialized] CMatrix-mpi.F:2186:53: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft2' may be used uninitialized [-Wmaybe-uninitialized] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a CMatrix.o CMatrix-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Making all in TMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Compiling dgemm_omp.F... Compiling dgamm_omp.F... Compiling daxpy_omp.F... Compiling saxpy_omp.F... Compiling dscal_omp.F... Compiling zscal_omp.F... Compiling ffm_multiply_omp_group.F... Compiling zgemm_omp.F... Compiling sgemm_omp.F... Compiling ffw_multiply_omp_group.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Making all in control make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Compiling control.F... control.F:4968:26: 4968 | > dbl_mb(kvs(1))) | 1 ...... 5875 | if (.not.btdb_get(rtdb,'nwpw:3x3ne_virtual',mt_log,1,value)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). control.F:1577:54: 1577 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) then | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control_gga.fh:372:60: 64 | value = rtdb_put(rtdb,'cpsd:ispin',mt_int,1,2) | 2 ...... 372 | value = value.and.rtdb_put(rtdb,'pspw:HFX',mt_log,1,.true.) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). control.F:663:22: 663 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1061:22: 1061 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1099:22: 1099 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1175:25: 1175 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1179:58: 1179 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1193:28: 1193 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1197:58: 1197 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1203:22: 1203 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2567:19: 2567 | call ycopy(9,unita_in,1,unita,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2576:52: 2576 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2595:19: 2595 | call ycopy(9,unita,1,unita_out,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2626:19: 2626 | call ycopy(9,unita_in,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2635:52: 2635 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:7456:55: 6199 | > mt_dbl,1,wcut_atom)) | 2 ...... 7456 | value = btdb_put(rtdb,'nwpw:excited_ne',mt_int,2,ne) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling psi_get_ne.F... psi_get_ne.F:53:22: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:56:22: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:64:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 63 | msglen = 3 64 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:70:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:157:22: 52 | call iread(4,version,1) | 2 ...... 157 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:160:22: 52 | call iread(4,version,1) | 2 ...... 160 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:168:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 168 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:174:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 174 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:257:22: 52 | call iread(4,version,1) | 2 ...... 257 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:260:22: 52 | call iread(4,version,1) | 2 ...... 260 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:271:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 271 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:277:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 277 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:363:22: 52 | call iread(4,version,1) | 2 ...... 363 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:366:22: 52 | call iread(4,version,1) | 2 ...... 366 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:377:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 377 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:383:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 383 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_get_version.F... Compiling psi_get_header.F... psi_get_header.F:53:25: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:56:25: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:74:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 74 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:80:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:124:22: 52 | call iread(4,version,1) | 2 ...... 124 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:127:22: 52 | call iread(4,version,1) | 2 ...... 127 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:135:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 135 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:141:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 141 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_get_header.F... cpsi_get_header.F:45:22: 44 | call iread(4,version,1) | 2 45 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:48:22: 44 | call iread(4,version,1) | 2 ...... 48 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:57:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 56 | msglen = 3 57 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:63:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 63 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_check_header.F... rho_check_header.F:58:25: 57 | call iread(4,version,1) | 2 58 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_check_header.F:80:52: 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_psp_type.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Making all in lattice make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Compiling lattice.f... lattice.f:1160:19: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1160 | call ycopy(9,0.0d0,0,a,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1165:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1165 | call ycopy(6*n2ft3d,0.0d0,0,xs,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1435:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1435 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1509:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1509 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1710:24: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1710 | call ycopy(n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mask_init.F... Compiling pack.F... pack.F:2993:66: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:2993:68: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:469:55: 469 | call Parallel_shared_vector_zero(.true.,2*nfft3d,A) | 1 ...... 696 | call Parallel_shared_vector_zero(.true.,nfft3d,A) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pack.F:758:24: 757 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 758 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cloak.F... Compiling cram.F... cram.F:223:26: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 223 | call ycopy(2*nfft3d,0.0d0,0,A,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:352:28: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 ...... 352 | call ycopy(nfft3d,A,1,dbl_mb(tmp1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:401:24: 400 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 401 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:983:45: 743 | call C3dB_Vector_SumAll(2*ne,sum) | 2 ...... 983 | if (np.gt.1) call C3dB_Vector_SumAll(2,tsum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:1290:42: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1290:49: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:66: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:68: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling balance.F... balance.F:483:24: 416 | > A(indx), | 2 ...... 483 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). balance.F:501:24: 434 | > A(indx), | 2 ...... 501 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). Compiling c_balance.F... c_balance.F:457:24: 390 | > A(indx), | 2 ...... 457 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_balance.F:475:24: 408 | > A(indx), | 2 ...... 475 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling G_init.F... Compiling c_G_init.F... Compiling strfac.F... Compiling cstrfac.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Making all in io make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Compiling compressed_io.c... Compiling nwpw_message.F... Compiling second.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a compressed_io.o nwpw_message.o second.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Making all in ion make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Compiling center.f... Compiling ion_FixIon.F... Compiling incell1.f... Compiling incell2.f... Compiling incell3.f... Compiling unfold.f... Compiling xyz.F... Compiling ion.F... ion.F:815:15: 815 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:4867:27: 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 ...... 4867 | call ycopy(nat3*nat3,hess,1,hessp,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ion.F:117:56: 117 | value = btdb_put(rtdb,"nwpw:ke_count",mt_int,1,ke_count) | 1 ...... 4520 | > nhess,dbl_mb(ihess(1)))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:397:57: 397 | if (.not.btdb_get(rtdb,"nwpw:ke_count",mt_int,1,ke_count)) | 1 ...... 4483 | > nhess,dbl_mb(ihess(1))) .and. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:758:15: 758 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:3071:26: 3071 | call ycopy((3*nion),rion,1,dbl_mb(r1(1)),1) | 1 ...... 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ion.F:1951:40: 1951 | integer function ion_rion_indx_ptr(indx) | ^ Warning: '__result_ion_rion_indx_ptr' may be used uninitialized [-Wmaybe-uninitialized] Compiling katm_list.F... Compiling fcoord.f... Compiling seperate_molpsp.F... seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling seperate_pointcharge.F... seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling ion_scaling_atoms.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making all in shake make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' Compiling shake_chain.F... Compiling shake_chain2.F... Compiling shake_chain3.F... Compiling shake_bonddiff.F... Compiling shake_analysis.F... Compiling molecular.F... Compiling pspw_molecule.c... Compiling pspw_atom.c... Compiling pspw_bond.c... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making all in pseudopotential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Compiling psp_generator_input.F... Compiling pspsolve.c... In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] 84 | char *soutfile = (char *) malloc (m0 + m2 + 9); | ^~~~~~~~ rpspsolve.c:66:16: warning: unused variable 'l' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:10: warning: unused variable 'j' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ pspsolve.c: In function 'pspsolve_': pspsolve.c:77:42: warning: 'psil_extra' may be used uninitialized [-Wmaybe-uninitialized] 77 | double *rl, *rhol, **psil_ae,**psil, **psil_extra, **pspl; | ^~~~~~~~~~ Compiling hgh_parse.c... hgh_parse.c: In function 'hgh_parse_': hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] 85 | char words[20][80]; | ^~~~~ hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] 84 | int argc,value; | ^~~~~ hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 84 | int argc,value; | ^~~~ hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] 83 | char line[255]; | ^~~~ hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] 66 | int nmax_l[4]; | ^~~~~~ hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 63 | double rlocal_out; | ^~~~~~~~~~ hgh_parse.c:62:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ hgh_parse.c:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ Compiling cpi_parse.c... cpi_parse.c: In function 'cpi_parse_': cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 99 | int argc,value; | ^~~~ Compiling teter_parse.c... teter_parse.c: In function 'teter_parse_': teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 101 | int argc; | ^~~~ teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] 90 | double r0,xx; | ^~ Compiling carter_parse.c... carter_parse.c: In function 'carter_parse_': carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 97 | int argc; | ^~~~ carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~~ carter_parse.c:89:31: warning: unused variable 'e99' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~ carter_parse.c:87:14: warning: unused variable 'n' [-Wunused-variable] 87 | int n[10]; | ^ carter_parse.c:86:17: warning: unused variable 'xx' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:86:14: warning: unused variable 'r0' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:85:24: warning: variable 'lmaxp' set but not used [-Wunused-but-set-variable] 85 | int lmax,locp,lmaxp; | ^~~~~ carter_parse.c:83:22: warning: unused variable 'rmax' [-Wunused-variable] 83 | double drl=0.0,rmax; | ^~~~ carter_parse.c:82:7: warning: unused variable 'pspl' [-Wunused-variable] 82 | **pspl; | ^~~~ carter_parse.c:81:7: warning: unused variable 'psil' [-Wunused-variable] 81 | **psil, | ^~~~ carter_parse.c:80:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ carter_parse.c:80:56: warning: unused variable 'sc_drho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:37: warning: unused variable 'sc_rho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ carter_parse.c:80:30: warning: unused variable 'tmp2' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ carter_parse.c:80:24: warning: unused variable 'tmp' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ carter_parse.c:80:19: warning: unused variable 'rl' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ carter_parse.c:77:18: warning: unused variable 'l' [-Wunused-variable] 77 | int i,k,l,p,p1; | ^ carter_parse.c:76:15: warning: unused variable 'nl' [-Wunused-variable] 76 | int *nl; | ^~ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] 74 | double over_fourpi; | ^~~~~~~~~~~ Compiling qmmm_parse.c... qmmm_parse.c: In function 'qmmm_parse_': qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 93 | int argc; | ^~~~ qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; | ^~~~~~~ Compiling get_word.c... get_word.c: In function 'get_line': get_word.c:33:8: warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] 33 | if (c=='\n') | ^ get_word.c:28:11: note: 'c' was declared here 28 | int c,i; | ^ Compiling name.c... Compiling loggrid.c... Compiling pred_cor.c... Compiling spline.c... Compiling grids.c... grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 142 | printf(" address: %lx\n", grid); | ~~^ ~~~~ | | | | | double * | long unsigned int grids.c:147:23: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 147 | printf("%lx ", cur->grid); | ~~^ ~~~~~~~~~ | | | | | double * | long unsigned int Compiling atom.c... atom.c: In function 'solve_Atom': atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] 314 | int it, converged, sz; | ^~ atom.c: In function 'solve_Scattering_State_Atom': atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] 546 | int st; | ^~ atom.c: In function 'print_Atom': atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] 640 | int i, st; | ^~ Compiling schrodin.c... schrodin.c: In function 'R_Schrodinger': schrodin.c:249:5: warning: 'de' may be used uninitialized [-Wmaybe-uninitialized] 249 | printf("R_Schrodinger: More than %d iterations, Eig=%le, de=%le\n",Max_Iterations,E,de); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ schrodin.c:46:16: note: 'de' was declared here 46 | double E, de, | ^~ Compiling pauli.c... pauli.c: In function 'R_Pauli_Fixed_E': pauli.c:365:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 365 | node, | ^~~~ Compiling dirac.c... dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] 43 | L2, L0, | ^~ dirac.c: In function 'R_Dirac_Fixed_E': dirac.c:319:33: warning: unused variable 'L0' [-Wunused-variable] 319 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ dirac.c: In function 'R_Dirac_FixedLogDeriv': dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^~~~~ dirac.c:459:10: warning: unused variable 'a' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^ dirac.c:457:9: warning: unused variable 'L0' [-Wunused-variable] 457 | L2, L0, | ^~ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] 449 | int i, j, iteration, node, Ninf, Ngrid; | ^~~~ Compiling zora.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] 45 | L2, L0, | ^~ zora.c: In function 'R_ZORA_Fixed_E': zora.c:321:33: warning: unused variable 'L0' [-Wunused-variable] 321 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ Compiling dft.c... dft.c: In function 'R_Screening_Cut': dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] 140 | int k,NN,n0,n1=0; | ^~ dft.c:162:14: warning: 'v0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:21: note: 'v0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ dft.c:162:22: warning: 'r0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:11: note: 'r0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ Compiling hartree.c... Compiling dirac_exchange.c... Compiling perdew_wang.c... perdew_wang.c: In function 'R_Perdew_Wang': perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 46 | double sevensixth; | ^~~~~~~~~~ perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 45 | double onesixth; | ^~~~~~~~ Compiling perdew_zunger.c... perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 56 | double two_to_onethird; | ^~~~~~~~~~~~~~~ perdew_zunger.c:55:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~~ Compiling vosko.c... vosko.c: In function 'R_Vosko': vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 86 | double two_to_onethird; | ^~~~~~~~~~~~~~~ vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~ vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~~ Compiling pbe_exchange.c... pbe_exchange.c: In function 'R_PBE96_Exchange': pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling pbe_correlation.c... pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 50 | double sevensixth; | ^~~~~~~~~~ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 49 | double onesixth; | ^~~~~~~~ Compiling revpbe_exchange.c... revpbe_exchange.c: In function 'R_revPBE_Exchange': revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling revpbe_correlation.c... revpbe_correlation.c: In function 'R_revPBE_Correlation': revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 52 | double sevensixth; | ^~~~~~~~~~ revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 51 | double onesixth; | ^~~~~~~~ Compiling becke_exchange.c... becke_exchange.c: In function 'R_Becke_Exchange': becke_exchange.c:61:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] 61 | double *G2dr; | ^~~~ becke_exchange.c:59:13: warning: variable 'G2' set but not used [-Wunused-but-set-variable] 59 | double *G2; | ^~ becke_exchange.c:39:41: warning: unused variable 'two_onethird' [-Wunused-variable] 39 | double rho_fourthirds,rho_onethird, two_onethird; | ^~~~~~~~~~~~ becke_exchange.c:37:24: warning: unused variable 'z1' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:21: warning: unused variable 'z2' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:18: warning: unused variable 'z3' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:15: warning: unused variable 'z4' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:12: warning: unused variable 'z5' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:36:21: warning: unused variable 'ddamp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~~ becke_exchange.c:36:16: warning: unused variable 'damp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~ becke_exchange.c:35:12: warning: unused variable 'norm' [-Wunused-variable] 35 | double norm; | ^~~~ Compiling lyp_correlation.c... lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] 37 | double norm; | ^~~~ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] 27 | double smallnumber; | ^~~~~~~~~~~ Compiling hamann.c... hamann.c: In function 'solve_Hamann': hamann.c:455:5: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 455 | R_Screening_Cut(Vc); | ^~~~~~~~~~~~~~~~~~~ hamann.c:209:23: note: 'w1l_prime' was declared here 209 | double *w1l,*w1l_prime, | ^~~~~~~~~ Compiling troullier.c... troullier.c: In function 'solve_Troullier': troullier.c:191:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 191 | double al,amesh,rmax,Zion; | ^~~~~ Compiling xpansion.c... xpansion.c: In function 'get_c0_c10': xpansion.c:341:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 341 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:281:12: note: 'ddelta' was declared here 281 | double ddelta; | ^~~~~~ xpansion.c: In function 'get_c0_c12': xpansion.c:434:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 434 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:376:12: note: 'ddelta' was declared here 376 | double ddelta; | ^~~~~~ Compiling gaussj.c... gaussj.c: In function 'gaussj': gaussj.c:78:18: warning: 'irow' may be used uninitialized [-Wmaybe-uninitialized] 78 | indxr[i] = irow; | ~~~~~~~~~^~~~~~ gaussj.c:27:14: note: 'irow' was declared here 27 | int icol,irow; | ^~~~ gaussj.c:93:16: warning: 'icol' may be used uninitialized [-Wmaybe-uninitialized] 93 | if (ll != icol) | ^ gaussj.c:27:9: note: 'icol' was declared here 27 | int icol,irow; | ^~~~ Compiling vanderbilt.c... vanderbilt.c: In function 'solve_Vanderbilt': vanderbilt.c:209:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 209 | double al,amesh,Zion; | ^~~~~ Compiling xpansion2.c... xpansion2.c: In function 'dp_xpansion2': xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] 61 | double r1,r2,r3,r5,r7,r9,r11; | ^~~ xpansion2.c: In function 'ddp_xpansion2': xpansion2.c:89:27: warning: variable 'r10' set but not used [-Wunused-but-set-variable] 89 | double r1,r2,r4,r6,r8,r10; | ^~~ xpansion2.c: In function 'dddp_xpansion2': xpansion2.c:115:27: warning: variable 'r9' set but not used [-Wunused-but-set-variable] 115 | double r1,r2,r3,r5,r7,r9; | ^~ xpansion2.c: In function 'ddddp_xpansion2': xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] 139 | double r1,r2,r4,r6,r8; | ^~ Compiling psp1d.c... Compiling generate_rho_semicore.c... Compiling debug.c... Compiling rhamann.c... rhamann.c: In function 'Suggested_Param_RelHamann': rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] 50 | int p, npsps, itmp; | ^~~~ rhamann.c: In function 'solve_RelHamann': rhamann.c:423:3: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 423 | R_Correlation_DFT (f, Vc, &ec, &pc); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ rhamann.c:193:17: note: 'w1l_prime' was declared here 193 | double *w1l, *w1l_prime, *w2l, *w2l_prime; | ^~~~~~~~~ Compiling rtroullier.c... rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 173 | double al, amesh, rmax, Zion; | ^~~~~ Compiling rpsp.c... rpsp.c: In function 'init_RelPsp': rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] 76 | char *w, *tc; | ^~ rpsp.c:73:14: warning: unused variable 'p2' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c: At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ Making all in paw_atom make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' Compiling paw_atom_driver.c... paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] 116 | char *full_filename = (char *) malloc(m9+25+5); | ^~~~~~~~~~~~~ paw_atom_driver.c:103:14: warning: unused variable 'argc' [-Wunused-variable] 103 | int argc; | ^~~~ paw_atom_driver.c:102:14: warning: unused variable 'comment' [-Wunused-variable] 102 | char comment[255]; | ^~~~~~~ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] 100 | FILE *fp; | ^~ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] 99 | char *w,*tc; | ^~ paw_atom_driver.c:99:13: warning: unused variable 'w' [-Wunused-variable] 99 | char *w,*tc; | ^ paw_atom_driver.c:96:32: warning: unused variable 'pi' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~ paw_atom_driver.c:96:26: warning: unused variable 'qchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:95:35: warning: unused variable 'e999' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~ paw_atom_driver.c:95:31: warning: unused variable 'e99' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~ paw_atom_driver.c:95:21: warning: unused variable 'rcore' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~ paw_atom_driver.c:95:14: warning: unused variable 'r2well' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~~ paw_atom_driver.c:94:29: warning: unused variable 'pspxc' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~ paw_atom_driver.c:94:21: warning: unused variable 'pspcode' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~~ paw_atom_driver.c:94:14: warning: unused variable 'pspdat' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~ paw_atom_driver.c:93:14: warning: unused variable 'n' [-Wunused-variable] 93 | int n[10]; | ^ paw_atom_driver.c:92:17: warning: unused variable 'xx' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:92:14: warning: unused variable 'r0' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:91:24: warning: unused variable 'lmaxp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~~ paw_atom_driver.c:91:19: warning: unused variable 'locp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:91:14: warning: unused variable 'lmax' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:89:18: warning: unused variable 'rmax' [-Wunused-variable] 89 | double drl,rmax; | ^~~~ paw_atom_driver.c:89:14: warning: unused variable 'drl' [-Wunused-variable] 89 | double drl,rmax; | ^~~ paw_atom_driver.c:88:7: warning: unused variable 'pspl' [-Wunused-variable] 88 | **pspl; | ^~~~ paw_atom_driver.c:87:7: warning: unused variable 'psil' [-Wunused-variable] 87 | **psil, | ^~~~ paw_atom_driver.c:86:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ paw_atom_driver.c:86:56: warning: unused variable 'sc_drho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:37: warning: unused variable 'sc_rho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ paw_atom_driver.c:86:30: warning: unused variable 'tmp2' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ paw_atom_driver.c:86:24: warning: unused variable 'tmp' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ paw_atom_driver.c:86:19: warning: unused variable 'rl' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ paw_atom_driver.c:85:27: warning: unused variable 'psp' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:22: warning: unused variable 'psi' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:15: warning: unused variable 'rgrid' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~~~ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~~~ paw_atom_driver.c:83:22: warning: unused variable 'p1' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^~ paw_atom_driver.c:83:20: warning: unused variable 'p' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:18: warning: unused variable 'l' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:16: warning: unused variable 'k' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:14: warning: unused variable 'i' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:82:15: warning: unused variable 'nl' [-Wunused-variable] 82 | int *nl; | ^~ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] 80 | double over_fourpi; | ^~~~~~~~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~ paw_atom_driver.c:79:14: warning: unused variable 'zatom' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~~ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 76 | double rlocal_out; | ^~~~~~~~~~ paw_atom_driver.c:75:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ paw_atom_driver.c:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ Compiling paw_atom.c... paw_atom.c: In function 'paw_init_paw_atom': paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 316 | double *rgrid; | ^~~~~ Compiling paw_basis.c... paw_basis.c: In function 'paw_init_paw_basis': paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 116 | double *rgrid; | ^~~~~ paw_basis.c: In function 'paw_generate_projectors_vanderbilt': paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 645 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_generate_projectors_blochl': paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] 854 | double **test_matrix; | ^~~~~~~~~~~ paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 843 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_scattering_test': paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 1453 | int Ngrid; | ^~~~~ paw_basis.c: In function 'paw_print_basis_to_file': paw_basis.c:1217:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1217:27: note: assuming directive output of 8 bytes 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1217:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_test_to_file': paw_basis.c:1299:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1299:27: note: assuming directive output of 8 bytes 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1299:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_scattering.c... paw_scattering.c: In function 'paw_solve_paw_scattering': paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 110 | int Ngrid; | ^~~~~ Compiling paw_schrodin.c... Compiling paw_pauli.c... paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': paw_pauli.c:356:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 356 | node, | ^~~~ Compiling paw_orbitals.c... paw_orbitals.c: In function 'paw_solve_scattering_orbitals': paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 453 | double *rgrid; | ^~~~~ paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:683:23: note: assuming directive output of 8 bytes 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:683:9: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:691:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:691:27: note: assuming directive output of 8 bytes 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:691:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:729:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:729:27: note: assuming directive output of 8 bytes 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_kinetic_energy.c... Compiling paw_potential.c... paw_potential.c: In function 'paw_print_paw_potential_to_file': paw_potential.c:649:9: warning: pointer 'fp' used after 'fclose' [-Wuse-after-free] 649 | fclose(fp); | ^~~~~~~~~~ paw_potential.c:647:9: note: call to 'fclose' here 647 | fclose(fp); | ^~~~~~~~~~ Compiling paw_dirac_exchange.c... Compiling paw_vosko.c... Compiling paw_hartree.c... Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... Compiling paw_matrix_elements.c... Compiling paw_pred_cor.c... Compiling paw_loggrid.c... Compiling paw_bisect.c... Compiling paw_error_function.c... Compiling paw_get_inverse.c... Compiling paw_my_constants.c... Compiling paw_utilities.c... Compiling paw_output.c... paw_output.c: In function 'paw_generate_basis_file': paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] 39 | double** psi_ps0; | ^~~~~~~ paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] 26 | double tmp; | ^~~ Compiling paw_sdir.c... Compiling paw_my_memory.c... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Making all in utilities make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... Compiling nwpw_list.F... Compiling nwpw_scf_mixing.F... Compiling nwpw_spline.F... Compiling nwpw_interp.F... Compiling kerker_G.F... Compiling cpmd_properties.F... cpmd_properties.F:163:36: 31 | if (.not.btdb_get(rtdb,'nwpw:cpmd_properties',mt_log,1,doit)) | 2 ...... 163 | > mt_dbl,9,unita)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_rdf.F... Compiling pair_dist.F... Compiling pair_dist2.F... Compiling pair_distab.F... pair_distab.F:61:43: 60 | call Parallel_Brdcst_values(MASTER,1,volume) | 2 61 | call Parallel_Brdcst_values(MASTER,9,unita) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling auto_corr.F... Compiling generate_unfolded_xyz.F... Compiling matrix.f... Compiling simp.F... Compiling is_sORd.F... Compiling psi_filefind.F... Compiling v_psi_filefind.F... Compiling getfilling.F... Compiling CIF_write.F... Compiling densityofstates.F... Compiling MOTION_nframes.F... Compiling spdf_name.F... Compiling cell.F... Compiling cellgeometry.F... Compiling cpsi_data.F... cpsi_data.F:529:36: 286 | call ycopy(nsize,psi,1,dbl_mb(shift),1) | 2 ...... 529 | call ycopy(nbrill*neall*nsize,0.0d0,0,dbl_mb(indx1),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_data.F... Compiling butter.F... Compiling print_elapsed_time.F... Compiling log_integrate.F... Compiling nwpw_parse.F... Compiling nwpw_matrix_invert.F... Compiling analysis_expansion_coef.F... analysis_expansion_coef.F:70:49: 65 | if (.not. btdb_put(rtdb,id,mt_int,1,lorb)) | 2 ...... 70 | if (.not. btdb_put(rtdb,id,mt_dbl,(lorb+1),b0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling nwpw_double_factorial.F... Compiling nwpw_kbpp_ray.F... Compiling nwpw_talker.c... nwpw_talker.c: In function 'nwpw_talker_': nwpw_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; | ^~~~~~~ nwpw_talker.c: In function 'nwpw_listener_': nwpw_talker.c:250:19: warning: variable 'valread' set but not used [-Wunused-but-set-variable] 250 | int sock = 0, valread; | ^~~~~~~ Compiling nwpw_expression.F... nwpw_expression.F:79:60: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 79 | value = value.and.btdb_put(rtdb,rtdb_name,mt_int,5*nc,code) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpw_expression.F:82:58: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 82 | value = value.and.btdb_put(rtdb,rtdb_name,mt_dbl,nf,fconst) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_expression.F:143:48: 63 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nemach)) nemach = 0 | 2 ...... 143 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,started)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling nwpw_emachine.c... nwpw_emachine.c: In function 'nwpw_gencode': nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~~ nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine': nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_fmachine': nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine_parse_': nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] 971 | int i; | ^ Compiling BA_memory.F... Compiling btdb.F... Compiling beom.F... Compiling task_paulsmatrix.F... Compiling nwpw_cosmo.F... nwpw_cosmo.F:49:50: 49 | if (.not.btdb_get(rtdb,'slv:cosmo',mt_log,1,cosmo_on)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). nwpw_cosmo.F:86:57: 86 | if (.not.btdb_get(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) gcds = 0.0d0 | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:88:56: 88 | if (.not.btdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:134:34: 134 | > mt_dbl,1,qthresh)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:144:34: 144 | > mt_dbl,1,qalpha)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:180:61: 180 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:182:61: 182 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qelc',mt_dbl,1,Qelc)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:256:58: 254 | value = btdb_put(rtdb,'nwpw_cosmo:Qt',mt_log,1,(Qt.and.Qt0)) | 2 255 | value = value.and. 256 | > btdb_put(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_born.F... nwpw_born.F:156:60: 148 | if (.not.btdb_get(rtdb,'nwpw:born_relax',mt_log,1,born_relax)) | 2 ...... 156 | if (.not.btdb_get(rtdb,'nwpw:born_dielec',mt_dbl,1,dielec)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_cdft.F... nwpw_cdft.F:65:32: 51 | if (.not.btdb_get(rtdb,'nwpw:cdft',mt_log,1,cdft_on)) | 2 ...... 65 | > nion,dbl_mb(qcdft(1)))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_fftpack3d.F... nwpw_fftpack3d.F:246:21: 50 | call dcffti(nz,tmp(tz)) | 2 ...... 246 | call dcffti(nz,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:23: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:37: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:24: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:28: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:24: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:28: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making all in paw_utilities make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_gaunt.F... Compiling nwpw_compcharge.F... nwpw_compcharge.F:1606:55: 974 | > dbl_mb(tmp(1))) | 2 ...... 1606 | call Parallel_shared_vector_zero(.true.,2*npack0,v_smooth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:2098:34: 754 | call ycopy(nray,0.0d0,0,vlray,1) | 2 ...... 2098 | call ycopy(2*npack0,0.0d0,0,dng_smooth,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:4276:72: 4276 | call ycopy(3*nion_paw,0.0d0,0,dbl_mb(fmult(1))) | 1 Warning: Missing actual argument for argument '_formal_74' at (1) nwpw_compcharge.F:1264:72: 1264 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:22: 1136 | integer Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:1262:72: 1262 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:19: 1136 | integer Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:1260:72: 1260 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:16: 1136 | integer Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4480:72: 4480 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:50: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4478:72: 4478 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:47: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4476:72: 4476 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:44: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4732:72: 4732 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:39: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4730:72: 4730 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:36: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4728:72: 4728 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:33: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:5440:72: 5440 | call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:50: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:5439:72: 5439 | call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:47: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:5438:72: 5438 | call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:44: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here Compiling nwpw_gintegrals3.F... nwpw_gintegrals3.F:96:72: 96 | tcount = tcount + nn | ^ Warning: 'nn' may be used uninitialized [-Wmaybe-uninitialized] nwpw_gintegrals3.F:19:25: 19 | integer tid,nthr,nn | ^ note: 'nn' was declared here Compiling nwpw_xc.F... Compiling nwpw_vosko.F... Compiling nwpw_gga.F... Compiling nwpw_SpecialKummer.F... Compiling nwpw_GaussBessel.F... Compiling nwpw_WGaussian.F... Compiling nwpw_gauss_weights.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making all in unitcell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Compiling simulation_cell_input.F... simulation_cell_input.F:411:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 411 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). simulation_cell_input.F:430:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 430 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,1,box_delta)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a simulation_cell_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Making all in brillouin_zone make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Compiling brillouin_zone_input.F... brillouin_zone_input.F:157:26: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 157 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). brillouin_zone_input.F:272:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 272 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) brillouin_zone_input.F:416:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 416 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling brillioun.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a brillouin_zone_input.o brillioun.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Making all in fractional make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Compiling fractional.F... Compiling frac_occ_input.F... frac_occ_input.F:126:26: 106 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,norbs)) | 2 ...... 126 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling frac_occ.F... frac_occ.F:54:26: 31 | if (.not. btdb_get(rtdb,rtdb_name,mt_int,1,num_states)) | 2 ...... 54 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Making all in linesearch make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Compiling linesearch.F... Compiling Order_Values.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a linesearch.o Order_Values.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Making all in timing make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Compiling nwpw_timing.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nwpw_timing.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Making all in ewald make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Compiling ewald.F... ewald.F:605:11: 605 | do i=ion_nion_qm(1)+1,ion_nion() | 1 Warning: More actual than formal arguments in procedure call at (1) ewald.F:955:52: 792 | > dcpl_mb(s(1))) | 2 ...... 955 | call Parallel_shared_vector_zero(.false.,nion,dbl_mb(fx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ewald.F:1179:39: 364 | call ycopy(3*enpack,0.0d0,0,dbl_mb(eG(1)),1) | 2 ...... 1179 | call ycopy((2*enpack),0.0d0,0,dcpl_mb(strf(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ewald.F:1127:23: 1127 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:1694:23: 1694 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:2255:23: 2255 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] Compiling ewald_strfac.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ewald.o ewald_strfac.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Making all in thermostats make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Compiling nose-hoover.F... nose-hoover.F:65:52: 62 | if (.not.btdb_get(rtdb,'cpmd:nose_restart',mt_log,1,nosers)) | 2 ...... 65 | if (.not.btdb_get(rtdb,'cpmd:Mchain',mt_int,1,Mchain)) Mchain = 1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nose-hoover.F:238:51: 237 | value = value.and.btdb_put(rtdb,'cpmd:eke0',mt_dbl,1,eke0_init) | 2 238 | > .and.btdb_put(rtdb,'cpmd:Mchain',mt_int,1,Mchain) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nose-hoover.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Making all in MetaDynamics make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Compiling metadynamics_input.F... metadynamics_input.F:272:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 272 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:280:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 280 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:286:34: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 286 | > nparammeta,dbl_mb(parammeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics_input.F:300:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 300 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:302:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 302 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:378:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 378 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:386:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 386 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:406:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 406 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:408:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 408 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:487:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 487 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:495:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 495 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:515:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 515 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:517:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 517 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:666:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 666 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:674:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 674 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:694:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 694 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 696 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:795:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 795 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:803:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 803 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:823:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 823 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:825:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 825 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:904:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 904 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:912:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 912 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:932:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 932 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:934:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 934 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1022:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1022 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1030:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1030 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1050:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1050 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1052:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1052 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1055:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1055 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1057:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1057 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1059:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1059 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1061:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1061 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1064:49: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1064 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1146:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1146 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1154:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1154 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1174:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1174 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1176:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1176 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1288:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1288 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1296:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1296 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1316:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1316 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1318:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1318 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1402:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1402 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1410:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1410 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1430:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1430 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1432:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1432 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1510:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1510 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1518:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1518 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1538:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1538 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1540:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1540 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1696 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1704:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1704 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1724:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1724 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1726:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1726 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1802:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1802 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1810:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1810 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1830:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1832:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1832 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1955:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1955 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1963:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1963 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1983:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1983 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1985:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1985 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2066:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2066 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2074:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2074 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2094:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2094 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2096:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2096 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling metadynamics_aux.F... metadynamics_aux.F:227:14: 227 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:229:14: 229 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:243:20: 243 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:255:17: 255 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:306:14: 306 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:308:14: 308 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:336:20: 336 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:368:17: 368 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) Compiling metadynamics.F... metadynamics.F:71:51: 44 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 71 | if (.not.btdb_get(rtdb,rtdb_name,mt_dbl,1,dTtempered)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics.F:648:41: 625 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 648 | > nxmeta_all,dbl_mb(ymeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Making all in TAMD make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Compiling tamd_input.F... tamd_input.F:195:47: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 195 | value = rtdb_put(rtdb,rtdb_name,mt_log,1,zfixed) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd_input.F:320:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 320 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:328:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 328 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:348:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 348 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:350:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 350 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:452:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 452 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:460:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 460 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:480:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 480 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:482:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 482 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:585:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 585 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:593:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 593 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:613:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 613 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:615:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 615 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:800:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 800 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:808:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 808 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:828:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 828 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:830:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:950:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 950 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:958:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 958 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:978:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 978 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:980:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 980 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1084:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1084 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1092:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1092 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1112:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1112 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1114:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1114 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1202:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1202 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1210:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1210 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1230:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1230 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1232:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1232 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1235:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1235 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1237:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1237 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1239:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1239 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1241:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1241 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1244:49: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1244 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1326:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1326 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1334:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1334 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1354:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1354 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1356:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1356 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1468:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1468 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1476:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1476 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1496:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1496 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1498:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1498 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1582:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1582 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1590:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1590 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1610:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1610 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1612:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1612 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1711:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1711 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1719:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1719 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1739:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1739 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1741:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1741 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1845:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1845 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1853:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1853 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1873:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1873 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1875:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1875 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2027:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2027 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2035:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2035 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2055:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2055 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2057:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2057 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2164:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2164 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2172:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2172 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2192:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2192 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2194:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2194 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tamd.F... tamd.F:66:51: 50 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 66 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,zfixed)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd.F:733:57: 707 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 733 | > btdb_put(rtdb,rtdb_name,mt_dbl,nmeta,ztamd) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tamd.F:2356:72: 2356 | do i=1,ndim | ^ Warning: 'ndim' may be used uninitialized [-Wmaybe-uninitialized] tamd.F:2272:26: 2272 | integer i,s1,s2,ndim,nparam,nindx,ntype,count,sindx(10),sparam(10) | ^ note: 'ndim' declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a tamd_input.o tamd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Making all in FMM make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Compiling fmm.F... fmm.F:378:46: 272 | call Parallel_Vector_SumAll(((lmax+1)**2)*(n*n*n),Mlm) | 2 ...... 378 | call Parallel_Vector_SumAll((lmax+1)**2,Llm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a fmm.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Making all in md_xs make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Compiling md_xs_input.F... md_xs_input.F:125:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 125 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_xs_input.F:183:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 183 | > rtdb_put(rtdb,rtdb_name,mt_int,2,isteps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_xs.F... md_xs.F:1116:30: 994 | call ycopy(2*nr,0.0d0,0,chi_r,1) | 2 ...... 1116 | call ycopy(nkf0,0.0d0,0,dbl_mb(tchi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). md_xs.F:127:36: 123 | > mt_dbl,1,temperature)) then | 2 ...... 127 | > mt_int,2,steps)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_xs.F:452:51: 450 | if (.not.btdb_get(rtdb,'md_xs:center',mt_int,1,center)) | 2 451 | > center = 1 452 | if (.not.btdb_get(rtdb,'md_xs:rmax',mt_dbl,1,rmax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_xs.F:277:18: 277 | else if (mc_algorithm.eq.2) then | ^ Warning: 'mc_algorithm' may be used uninitialized [-Wmaybe-uninitialized] md_xs.F:39:66: 39 | integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm | ^ note: 'mc_algorithm' was declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making all in FEFF6L make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' Compiling feff6Lib.F... feff6Lib.F:163:19: 163 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:9605:19: 9605 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:932:19: 932 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:12183:19: 12183 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:11719:19: 11719 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:1336:19: 1336 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, test, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:4014:19: 4014 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a feff6Lib.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a md_xs_input.o md_xs.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making all in nwpwxc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... Compiling nwpwxc_nwchem.F... nwpwxc_nwchem.F:256:33: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 256 | > nwpwxc_cam_alpha) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpwxc_nwchem.F:292:46: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 292 | + nwpwxc_num_f,nwpwxc_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:295:48: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 295 | + nwpwxc_usr_num,nwpwxc_usr_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:366:56: 320 | if (rtdb_get(rtdb,'int:cando_txs',mt_log,1,junk)) then | 2 ...... 366 | status=status.and.rtdb_get(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpwxc_vdw3d.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... Compiling nwpwxc_x_ft97.F... Compiling nwpwxc_x_m05.F... Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... Compiling nwpwxc_x_opt.F... Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... Compiling nwpwxc_x_sogga.F... Compiling nwpwxc_x_tpss03.F... Compiling nwpwxc_x_wpbe.F... Compiling nwpwxc_x_vs98.F... Compiling nwpwxc_c_b95.F... Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... Compiling nwpwxc_c_m05.F... Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... Compiling nwpwxc_c_p91_vwn5.F... Compiling nwpwxc_c_pw91lda.F... Compiling nwpwxc_c_sogga.F... Compiling nwpwxc_c_pbe.F... Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... Compiling nwpwxc_c_tpss03.F... nwpwxc_c_tpss03.F:463:72: 463 | en = pbe*(1.d0 + ccc*xx2) | ^ Warning: 'ccc' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_c_tpss03.F:104:32: 104 | double precision zeta, ccc | ^ note: 'ccc' was declared here Compiling nwpwxc_c_vs98.F... Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... Compiling nwpwxc_c_vwn1_rpa.F... Compiling nwpwxc_c_vwn2.F... Compiling nwpwxc_c_vwn3.F... Compiling nwpwxc_c_vwn4.F... Compiling nwpwxc_c_vwn5.F... Compiling nwpwxc_c_op.F... Compiling nwpwxc_cs00.F... Compiling nwpwxc_vdw3b.F... nwpwxc_vdw3b.F:1333:6: 1333 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) | ^ Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] nwpwxc_vdw3b.F:1109:23: 1109 | integer i,j,nn,nl | ^ Warning: 'nl' may be used uninitialized [-Wmaybe-uninitialized] Compiling nwpwxc_vdw3c.F... nwpwxc_vdw3c.F:3035:31: 3035 | subroutine nwpwxc_split(str,delims,before,sep) | 1 Warning: Interface mismatch in global procedure 'nwpwxc_split' at (1): INTENT mismatch in argument 'sep' nwpwxc_vdw3c.F:509:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 509 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:612:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 612 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1311:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1311 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1312:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1312 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1736:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1736 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6save,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1738:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1738 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2381:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2381 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:2382:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2382 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,drijsize,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-4) nwpwxc_vdw3c.F:2440:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2440 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2483:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2483 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1082:53: 1082 | real*8, allocatable,dimension(:,:,:,:) :: drij !d(E)/d(r_ij) derivative wrt. dist. iat-jat | ^ Warning: 'drij.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.offset' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2723:72: 2723 | edisp=-(e6+e8) | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2581:24: 2581 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here Compiling nwpwxcP_xc_b97.c... nwpwxcP_xc_b97.c: In function 'nwpwxcp_c_b97_': nwpwxcP_xc_b97.c:551:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:551:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:741:61: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 741 | FC[ _FXC_RAGAA ] = ScalGGAC*(0.0 + Gec_a0_ra*Ggc_aa_gaa + 0.0 + ec_a0*Ggc_aa_ragaa + 0.0 + Gec_ab_ra*Ggc_ab_gaa + 0.0 + ec_ab*Ggc_ab_ragaa); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ nwpwxcP_xc_b97.c:552:10: note: 'Gec_a0_ra' was declared here 552 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ nwpwxcP_xc_b97.c:743:61: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 743 | FC[ _FXC_RBGBB ] = ScalGGAC*(0.0 + Gec_b0_rb*Ggc_bb_gbb + 0.0 + ec_b0*Ggc_bb_rbgbb + 0.0 + Gec_ab_rb*Ggc_ab_gbb + 0.0 + ec_ab*Ggc_ab_rbgbb); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ nwpwxcP_xc_b97.c:553:10: note: 'Gec_b0_rb' was declared here 553 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ Compiling nwpwxc_x_b97.F... Compiling nwpwxc_c_b97.F... Compiling nwpwxc_xc_kt1.F... Compiling nwpwxc_c_spbe.F... Compiling nwpwxc_x_ssbD_1.F... Compiling nwpwxc_c_perdew81.F... Compiling nwpwxc_c_perdew86.F... Compiling nwpwxc_x_pw91.F... Compiling nwpwxc_x_pw6.F... Compiling nwpwxc_x_b86b.F... Compiling nwpwxc_x_scan.F... Compiling nwpwxc_c_scan.F... Compiling nwpwxc_vdw3a_stub.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a_stub.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making all in libraryps make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Compiling nwpw_library.F... nwpw_library.F:156:72: 156 | k_lgth=sqptr_r-sqptr_l-1 | ^ Warning: 'sqptr_r' may be used uninitialized [-Wmaybe-uninitialized] nwpw_library.F:116:38: 116 | integer l_lgth,i,sqptr_l,sqptr_r,k_lgth | ^ note: 'sqptr_r' was declared here Compiling nwpw_libfile.F... Compiling nwpw_set_library.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Making all in pspw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Compiling task_pspw.F... Making all in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making all in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Compiling dipole.F... Compiling dipole_efield.F... Compiling orthocheck.f... Compiling psi.F... psi.F:5852:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5852 | > dcpl_mb(psi2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:5853:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5853 | > dcpl_mb(psi1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:1151:43: 1151 | call Pack_c_Copy(1,dcpl_mb(psig_ptr),dbl_mb(psig_r(1))) | 1 ...... 12122 | call Pack_c_Copy(1,dcpl_mb(psii_ptr),orbi) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:1183:72: 1183 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1202:72: 1202 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1234:72: 1234 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1259:72: 1259 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1338:72: 1338 | > maxerror) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:3010:72: 3010 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3033:72: 3033 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,hpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3138:33: 1152 | call Pack_c_unpack(1,dbl_mb(psig_r(1))) | 2 ...... 3138 | call Pack_c_unpack(0,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3139:33: 1153 | call D3dB_cr_fft3b(1,dbl_mb(psig_r(1))) | 2 ...... 3139 | call D3dB_cr_fft3b(1,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3253:28: 3140 | call D3dB_r_Copy(1,vcc,vcgg) | 2 ...... 3253 | call D3dB_r_Copy(1,vcee,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3260:45: 3165 | call D3dB_rr_daxpy(1,-0.5d0,vcc,vcge) | 2 ...... 3260 | call D3dB_rr_daxpy(1,(-2.0d0*c1*c2),vctmp,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3363:31: 3363 | call Pack_c_SMul(1,scal1,vc,dEdpsie) | 1 ...... 5048 | > dcpl_mb(psi_ptr+(i-1)*npack1), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:2216:72: 2216 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2277:72: 2277 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2323:28: 2323 | call D3dB_c_Copy(1,vcc,vcee) | 1 ...... 3028 | call D3dB_c_Copy(1,psihomo_r,psig_r) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3456:72: 3456 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3457:72: 3457 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2563:72: 2563 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2564:72: 2564 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1940:72: 1940 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,dEdpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1941:72: 1941 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3717:42: 3717 | > dbl_mb(v_field(1))) | 1 ...... 4333 | > 2*npack1,dcpl_mb(etmp(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:6628:42: 4492 | > dcpl_mb(psi1(1) +(i-1)*npack1), | 2 ...... 6628 | call Pack_cc_dot(0,dcpl_mb(dng1(1)),dbl_mb(vltmp(1)),elocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:21: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:39: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:11404:50: 10499 | > mt_log,1,psi_nogrid)) | 2 ...... 11404 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). psi.F:11982:38: 3133 | call D3dB_r_SMul1(1,scal1,rhogg) | 2 ...... 11982 | call D3dB_r_SMul1(1,scal2,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:28: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:45: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11990:33: 3134 | call D3dB_rc_fft3f(1,rhogg) | 2 ...... 11990 | call D3dB_rc_fft3f(1,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11991:31: 3135 | call Pack_c_pack(0,rhogg) | 2 ...... 11991 | call Pack_c_pack(0,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11993:27: 3137 | call coulomb_v(rhogg,vcc) | 2 ...... 11993 | call coulomb_v(dcpl_mb(dnij(1)),dcpl_mb(vhij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11997:36: 3162 | call coulomb_screened_v(rhoge,vcc) | 2 ...... 11997 | call coulomb_screened_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:34: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:51: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:10902:72: 10902 | return | ^ Warning: '__result_psi_2epsi_gradients' is used uninitialized [-Wuninitialized] psi.F:10847:42: 10847 | logical function psi_2epsi_gradients(gn) | ^ note: '__result_psi_2epsi_gradients' was declared here psi.F:2954:27: 2954 | real*8 ehfx,phfx,Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] psi.F:2514:27: 2514 | real*8 ehfx,phfx,Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] Compiling psi_spin2.F... Compiling geodesic.F... Compiling geodesic2.F... Compiling Grassman.F... Grassman.F:805:21: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Grassman.F:805:29: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_dmatrix.F... psi_dmatrix.F:338:20: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 338 | call ycopy(nn,0.0d0,0,dbl_mb(v0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi_dmatrix.F:269:22: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 269 | call ycopy(np_i,0.0d0,0,dbl_mb(maxsum0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_read.F... psi_read.F:93:25: 92 | call iread(5,version,1) | 2 93 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:96:25: 92 | call iread(5,version,1) | 2 ...... 96 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:117:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 117 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:123:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 123 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:290:22: 92 | call iread(5,version,1) | 2 ...... 290 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:293:22: 92 | call iread(5,version,1) | 2 ...... 293 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:301:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 301 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:307:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 307 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:472:22: 92 | call iread(5,version,1) | 2 ...... 472 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:475:22: 92 | call iread(5,version,1) | 2 ...... 475 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:483:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 483 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:489:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 489 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:655:22: 92 | call iread(5,version,1) | 2 ...... 655 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:658:22: 92 | call iread(5,version,1) | 2 ...... 658 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:667:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 667 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:673:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 673 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_write.F... psi_write.F:105:26: 104 | call iwrite(6,version,1) | 2 105 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:108:26: 104 | call iwrite(6,version,1) | 2 ...... 108 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:264:26: 104 | call iwrite(6,version,1) | 2 ...... 264 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:267:26: 104 | call iwrite(6,version,1) | 2 ...... 267 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:425:26: 104 | call iwrite(6,version,1) | 2 ...... 425 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:428:26: 104 | call iwrite(6,version,1) | 2 ...... 428 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:583:26: 104 | call iwrite(6,version,1) | 2 ...... 583 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:586:26: 104 | call iwrite(6,version,1) | 2 ...... 586 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_write.F... rho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_read.F... rho_read.F:82:25: 81 | call iread(5,version,1) | 2 82 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_read.F:104:56: 95 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 104 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_read.F... v_psi_read.F:89:22: 88 | call iread(5,version,1) | 2 89 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:92:22: 88 | call iread(5,version,1) | 2 ...... 92 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:100:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 99 | msglen = 3 100 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:107:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 107 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_write.F... v_psi_write.F:101:26: 100 | call iwrite(6,version,1) | 2 101 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_write.F:104:26: 100 | call iwrite(6,version,1) | 2 ...... 104 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_new.F... psi_new.F:138:42: 134 | > 'nwpw:lcao_iterations',mt_int,1,lcao_iterations)) | 2 ...... 138 | > 'nwpw:lcao_print',mt_log,1,lcao_print)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling v_psi_new.F... Compiling psi_history.F... Compiling psi_write_filename.F... psi_write_filename.F:92:26: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:95:26: 91 | call iwrite(6,version,1) | 2 ...... 95 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:243:26: 91 | call iwrite(6,version,1) | 2 ...... 243 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:246:26: 91 | call iwrite(6,version,1) | 2 ...... 246 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_read_filename.F... psi_read_filename.F:76:22: 75 | call iread(5,version,1) | 2 76 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:79:22: 75 | call iread(5,version,1) | 2 ...... 79 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:87:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 86 | msglen = 3 87 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:93:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 93 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:235:25: 75 | call iread(5,version,1) | 2 ...... 235 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:238:25: 75 | call iread(5,version,1) | 2 ...... 238 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:259:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 259 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:265:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 265 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling polarizability.F... Compiling berry_phase_pol.F... Compiling rho_symmetrizer.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Making all in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Compiling psi_H.F... psi_H.F:113:42: 107 | > dbl_mb(Hpsi_r(1))) | 2 ...... 113 | > 2*nfft3d,dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_H.F:583:72: 583 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:555:31: 555 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here psi_H.F:755:72: 755 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:726:31: 726 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here Compiling psi_Hv4.F... psi_Hv4.F:112:39: 104 | > dbl_mb(Hpsi_r(1))) | 2 ...... 112 | > dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_Hv4.F:611:34: 608 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 2 ...... 611 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(vpsi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling electron.F... electron.F:2375:25: 2143 | call Pack_c_Copy(1,psi_k(1+(n-1)*npack1), | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2375:41: 2144 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:477:22: 477 | > dbl_mb(xce(1)), | 1 ...... 977 | > dcpl_mb(vc(1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2475:29: 2450 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 2475 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:2636:28: 1369 | > dcpl_mb(Hpsi_k(1)), | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2636:44: 1370 | > Hpsi_k_new) | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2775:51: 2200 | call Parallel_shared_vector_zero(.true.,2*n2ft3d,dn) | 2 ...... 2775 | > 2*npack0,dcpl_mb(vc(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a psi_H.o psi_Hv4.o electron.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Making all in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Compiling ke.F... ke.F:476:72: 476 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) ke.F:557:72: 557 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ke.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Making all in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Compiling coulomb.F... Compiling coulomb2.F... coulomb2.F:399:27: 285 | call D3dB_rc_fft3f(2,dbl_mb(glr(1))) | 2 ...... 399 | call D3dB_rc_fft3f(2,dcpl_mb(tmpx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling coulomb_screened.F... coulomb_screened.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened.F:801:72: 801 | call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) | 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) coulomb_screened.F:1051:24: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 1051 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb_screened.F:1080:32: 149 | call D3dB_r_SMul1(1,scal1,dcpl_mb(gk(1))) | 2 ...... 1080 | call D3dB_r_SMul1(1,scal1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling coulomb_screened_small.F... coulomb_screened_small.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened_small.F:521:25: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). coulomb_screened_small.F:521:29: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:25: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:42: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:60: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). Compiling coulomb_filter.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Making all in exchange-correlation make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Compiling v_bwexc_all.F... Compiling v_exc.F... Compiling v_dirac.F... Compiling v_mexc.F... Compiling v_bwexc.F... v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:85:72: 85 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fdn' declared here v_bwexc.F:324:72: 324 | rhoup(1) = grad(1) | ^ Warning: 'grad' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:41:30: 41 | integer grad(2) | ^ note: 'grad' declared here v_bwexc.F:328:72: 328 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here Compiling v_bwexc_euv.F... v_bwexc_euv.F:94:72: 94 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2),xce(2) | ^ note: 'fdn' declared here v_bwexc_euv.F:394:72: 394 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here Compiling nwpw_meta_gga.F... nwpw_meta_gga.F:163:39: 45 | > dbl_mb(dfdtau(1))) | 2 ...... 163 | > dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_meta_gga.F:290:36: 190 | call D3dB_r_Zero_Ends(1,dbl_mb(tau(1)+(ms-1)*n2ft3d)) | 2 ...... 290 | call D3dB_r_Zero_Ends(1,dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pbe96.f... Compiling pbesol.f... Compiling revpbe.f... Compiling blyp.f... Compiling b3lyp.F... Compiling bnl2007_x.F... Compiling hsepbe.F... Compiling beef_gga.f... Compiling pw92c.f... Compiling vs98.f... Compiling tpss03.f... Compiling scan.f... Compiling r2scan.f... Compiling pw91c.f... Compiling pbe96x.f... Compiling pbe96c.f... Compiling m06.f... Compiling m06-l.f... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making all in vdw-DF make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[6]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling vdw-DF.F... vdw-DF.F:609:43: 609 | call D1dB_Vector_SumAll(2*Nqs*nfft3d,ufunc) | 1 ...... 683 | call D1dB_Vector_SumAll(n2ft3d,tmpexc) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'theta' at (1); passed REAL(8) to COMPLEX(8) vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'ufunc' at (1); passed REAL(8) to COMPLEX(8) Compiling vdw_DF_kernel.F... Compiling vdw_DF_get_qmesh_filename.F... make[6]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[6]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[6]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making all in sic make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Compiling pspw_sic.F... pspw_sic.F:92:37: 34 | if (.not.btdb_get(rtdb,'pspw:SIC_all',mt_log,1,sicall)) | 2 ...... 92 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_sic.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Making all in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Compiling pspw_hfx.F... pspw_hfx.F:99:37: 46 | if (.not.btdb_get(rtdb,'pspw:HFX',mt_log,1,hfx_on)) | 2 ...... 99 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling pspw_shfx.F... pspw_shfx.F:946:72: 946 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:948:72: 948 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:950:72: 950 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:952:72: 952 | > real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:993:35: 993 | call D3dBs_r_SMul1(1,hfx_parameter,real_mb(vij(1))) | 1 ...... 1530 | call D3dBs_r_SMul1(1,scal2,real_mb(dn(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:795:72: 795 | > 2*n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:797:72: 797 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:403:72: 403 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:405:72: 405 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:407:72: 407 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:409:72: 409 | > n2ft3d,real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1106:72: 1106 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1108:72: 1108 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1110:72: 1110 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:39:72: 39 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:121:72: 121 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:182:72: 182 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:258:72: 258 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:260:72: 260 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:262:72: 262 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1367:72: 1367 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_114' at (1) pspw_shfx.F:1373:23: 103 | > Hpsi_r(1+(ms-1)*neq(1)*n2ft3d),1) | 2 ...... 1373 | > Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'orb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'horb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1418:72: 1418 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1420:72: 1420 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) Compiling pspw_hfx_localized.F... pspw_hfx_localized.F:306:23: 296 | > psi_r,1, | 2 ...... 306 | > psi1,1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_hfx_localized.F:481:36: 296 | > psi_r,1, | 2 ...... 481 | call ycopy(3*(ne(1)+ne(2)),0.0d0,0,dbl_mb(rwav(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_hfx_localized.F:727:53: 293 | call Dneall_mm_transpose(0,dbl_mb(rotmat21(1)),dcpl_mb(A(1))) | 2 ...... 727 | call Dneall_mm_transpose(0,dbl_mb(tmat1(1)),dbl_mb(tmat2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:732:36: 300 | > dcpl_mb(A(1)),1.0d0, | 2 ...... 732 | > dbl_mb(tmat2(1)), 1.0d0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:131:72: 131 | xx=xx+bmat(j,1)*ixmat(j,i) | ^ Warning: 'ixmat' is used uninitialized [-Wuninitialized] pspw_hfx_localized.F:75:28: 75 | real*8 b(3),ixmat(3,6) | ^ note: 'ixmat' declared here make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Making all in ion make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Compiling ion_ion.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ion_ion.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Making all in psp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Compiling MOTION.F... Compiling psp.F... psp.F:4339:22: 4337 | call iread(5,psp_type,1) | 2 4338 | call iread(5,version,1) 4339 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4342:22: 4340 | call dread(5,unita,9) | 2 4341 | call cread(5,atom,2) 4342 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4343:22: 4340 | call dread(5,unita,9) | 2 ...... 4343 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4353:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4353 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4354:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4354 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4355:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4355 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4356:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4356 | call iread(5,b_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4365:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4365 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4372:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4372 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4377:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4377 | call Parallela_Brdcst_values(com_p,MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4379:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4379 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4398:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4398 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4399:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4399 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4400:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4400 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4401:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4401 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,b_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4423:40: 4340 | call dread(5,unita,9) | 2 ...... 4423 | if (version.eq.4) call dread(5,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4424:22: 4340 | call dread(5,unita,9) | 2 ...... 4424 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4427:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4427 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rlocal) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4429:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4429 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4473:45: 4340 | call dread(5,unita,9) | 2 ...... 4473 | if (taskid_p.eq.MASTER) call dread(5,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4474:45: 4340 | call dread(5,unita,9) | 2 ...... 4474 | if (taskid_p.eq.MASTER) call dread(5,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4477:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4477 | > core_kin_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4479:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4479 | > core_ion_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4484:24: 4340 | call dread(5,unita,9) | 2 ...... 4484 | call dread(5,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4485:24: 4340 | call dread(5,unita,9) | 2 ...... 4485 | call dread(5,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4486:24: 4340 | call dread(5,unita,9) | 2 ...... 4486 | call dread(5,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4487:24: 4340 | call dread(5,unita,9) | 2 ...... 4487 | call dread(5,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4488:24: 4340 | call dread(5,unita,9) | 2 ...... 4488 | call dread(5,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4493:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4493 | call Parallela_Brdcst_values(com_p,MASTER,msglen,log_amesh) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4494:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4494 | call Parallela_Brdcst_values(com_p,MASTER,msglen,r1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4495:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4495 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rmax) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4496:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4496 | call Parallela_Brdcst_values(com_p,MASTER,msglen,sigma) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4497:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4497 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4515:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4515 | if (taskid_p.eq.MASTER) call iread(5,nae,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4516:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4516 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nae) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4518:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4518 | if (taskid_p.eq.MASTER) call iread(5,nps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4519:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4519 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4521:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4521 | if (taskid_p.eq.MASTER) call iread(5,lps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4522:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4522 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,lps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:1968:55: 1968 | call Parallel_shared_vector_zero(.true.,2*npack0,vl_out) | 1 ...... 3635 | call Parallel_shared_vector_zero(.true.,nn*nprj,sw2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2047:42: 1887 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_out) | 2 ...... 2047 | call D1dB_Vector_SumAll(2*npack0,vl_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2941:36: 218 | call ycopy(npsp*npack0, 0.0d0,0,dbl_mb(vl(1)), 1) | 2 ...... 2941 | call ycopy((2*npack0),0.0d0,0,dcpl_mb(vtmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:4812:72: 4812 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) psp.F:2037:72: 2037 | > dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here psp.F:2035:72: 2035 | > dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here psp.F:2033:72: 2033 | > dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[2]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[1]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[0]' was declared here Compiling psp_olddebug.F... psp_olddebug.F:231:72: 231 | > dbl_mb(sum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here psp_olddebug.F:229:72: 229 | > dbl_mb(sum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_olddebug.F:227:72: 227 | > dbl_mb(sum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here Compiling psp_cmp_dE_Qlm.F... Compiling paw.F... paw.F:379:72: 379 | > dbl_mb(psp_fmm_Mlm(1)),1) | 1 Warning: More actual than formal arguments in procedure call at (1) paw.F:591:56: 374 | call Parallel_shared_vector_zero(.true.,3*nion,dbl_mb(ftmp(1))) | 2 ...... 591 | call Parallel_shared_vector_zero(.false.,2*npack0,vl_paw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:287:56: 287 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_paw) | 1 ...... 642 | call D1dB_Vector_SumAll(2*npack0,vl_paw) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:1156:36: 856 | call ycopy(3*nion,0.0d0,0,dbl_mb(ftmp(1)),1) | 2 ...... 1156 | call ycopy((4*npack0),0.0d0,0,vlpaw_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:2928:50: 2863 | call nwpw_compcharge_gen_dn_cmp(ispin,dcpl_mb(dng_cmp(1))) | 2 ...... 2928 | call nwpw_compcharge_gen_dn_cmp(ispin,dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2931:25: 2865 | call v_local(dcpl_mb(vl1(1)), | 2 ...... 2931 | call v_local(dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2934:31: 2868 | call Pack_cc_dot(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2934 | call Pack_cc_dot(0,dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2935:31: 2869 | > dcpl_mb(vl1(1)),eh) | 2 ...... 2935 | > dbl_mb(vl1(1)),eh) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2961:35: 753 | call Pack_c_SMul1(0,lmbda,dcpl_mb(vtmp(1))) | 2 ...... 2961 | call Pack_c_SMul1(0,dv,dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2972:30: 2881 | call Pack_cc_Sum2(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2972 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2973:30: 2882 | > dcpl_mb(vl_notpaw(1))) | 2 ...... 2973 | > dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2979:45: 2884 | > dcpl_mb(dng_cmp(1)), | 2 ...... 2979 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2980:45: 2885 | > dcpl_mb(dng_cmp_smooth(1))) | 2 ...... 2980 | > dbl_mb(rho_cmp_smooth(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3149:53: 3068 | > dcpl_mb(vl1(1)), | 2 ...... 3149 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3184:50: 3085 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 3184 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3185:50: 3086 | > dcpl_mb(vl1(1)), | 2 ...... 3185 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4486:50: 4389 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 4486 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4487:50: 4390 | > dcpl_mb(vl1(1)), | 2 ...... 4487 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:1197:72: 1197 | call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here paw.F:1196:72: 1196 | call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here paw.F:1195:72: 1195 | call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here paw.F:3420:23: 3420 | real*8 wij,taunt | ^ Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] Compiling psp_stress.F... psp_stress.F:558:22: 557 | call iread(5,version,1) | 2 558 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:705:72: 705 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling semicore.F... semicore.F:549:32: 525 | call ycopy(nfft3d,dbl_mb(G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 549 | call ycopy(n2ft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). semicore.F:573:32: 573 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 ...... 773 | call Pack_c_unpack(0,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:575:32: 575 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 ...... 759 | call D3dB_cr_fft3b(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:255:31: 255 | call D3dB_rr_Sqr1(1,dcpl_mb(tmp(1))) | 1 ...... 781 | call D3dB_rr_Sqr1(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:348:30: 348 | call D3dB_r_dsum(1,dcpl_mb(tmp(1)),sum) | 1 ...... 762 | call D3dB_r_dsum(1,dbl_mb(tmp1(1)),ss) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:841:24: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). semicore.F:841:30: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:854:25: 772 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 2 ...... 854 | call Pack_c_pack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling semicore_force.F... Compiling psp_U.F... psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:398:72: 398 | > dbl_mb(asum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here psp_U.F:396:72: 396 | > dbl_mb(asum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_U.F:394:72: 394 | > dbl_mb(asum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here Compiling psp_ld.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Making all in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Compiling pspw_Grsm_list.F... Compiling pspw_lmbfgs.F... pspw_lmbfgs.F:91:36: 66 | call DSCAL_OMP(ngras,(-1.0d0),g,1) | 2 ...... 91 | call DSCAL_OMP(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:93:40: 30 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 93 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:111:25: 99 | > dbl_mb(ss(1)), | 2 ...... 111 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs.F:116:39: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:116:55: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs2.F... pspw_lmbfgs2.F:83:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 83 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:85:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 85 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:97:25: 91 | > dbl_mb(ss(1)), | 2 ...... 97 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs2.F:102:35: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:102:51: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs3.F... pspw_lmbfgs3.F:80:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 80 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs3.F:93:25: 86 | > dbl_mb(ss(1)), | 2 ...... 93 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_diis.F... pspw_diis.F:78:26: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 78 | call ycopy(max_list,d,1,c,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_diis.F:79:35: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 79 | call ycopy(max_list*max_list,B,1,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pspw_rmmdiis.F... pspw_rmmdiis.F:144:41: 66 | call yaxpy(ngras,lambda,residual0,1,psi,1) | 2 ...... 144 | call yaxpy(ngras, alpha(i),dbl_mb(ri(1)),1,psi_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_rmmdiis.F:149:25: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:149:33: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Making all in aorbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Compiling aorbs.F... aorbs.F:553:22: 552 | call iread(5,version,1) | 2 553 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:558:22: 554 | call dread(5,unita,9) | 2 ...... 558 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:559:22: 554 | call dread(5,unita,9) | 2 ...... 559 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:574:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 574 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:581:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 581 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:582:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 582 | call Parallela_Brdcst_values(com_p,MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:687:72: 687 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a aorbs.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Making all in truncating_function make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' Compiling truncating_function.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a truncating_function.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making all in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Compiling psp_formatter_input.F... psp_formatter_input.F:238:36: 192 | > mt_int,1,kbpp_number)) | 2 ...... 238 | > mt_dbl,1,rlocal)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling psp_formatter.F... psp_formatter.F:78:33: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 78 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_formatter.F:98:58: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 98 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psp_stress_formatter.F... psp_stress_formatter.F:79:33: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 79 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_stress_formatter.F:108:58: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 108 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pawppv1.F... pawppv1.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:426:23: 424 | call iwrite(2,psp_type,1) | 2 425 | call iwrite(2,version,1) 426 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:430:23: 427 | call dwrite(2,unita,9) | 2 ...... 430 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:431:23: 427 | call dwrite(2,unita,9) | 2 ...... 431 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:448:41: 427 | call dwrite(2,unita,9) | 2 ...... 448 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:450:23: 427 | call dwrite(2,unita,9) | 2 ...... 450 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:461:23: 427 | call dwrite(2,unita,9) | 2 ...... 461 | call dwrite(2,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:462:23: 427 | call dwrite(2,unita,9) | 2 ...... 462 | call dwrite(2,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:467:23: 427 | call dwrite(2,unita,9) | 2 ...... 467 | call dwrite(2,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:468:23: 427 | call dwrite(2,unita,9) | 2 ...... 468 | call dwrite(2,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:469:23: 427 | call dwrite(2,unita,9) | 2 ...... 469 | call dwrite(2,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:470:23: 427 | call dwrite(2,unita,9) | 2 ...... 470 | call dwrite(2,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:471:23: 427 | call dwrite(2,unita,9) | 2 ...... 471 | call dwrite(2,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hghppv1.F... hghppv1.F:121:27: 116 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 121 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghppv1.F:359:23: 357 | call iwrite(2,psp_type,1) | 2 358 | call iwrite(2,version,1) 359 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghppv1.F:362:23: 360 | call dwrite(2,unita,9) | 2 361 | call cwrite(2,atom,2) 362 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:363:23: 360 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:380:41: 360 | call dwrite(2,unita,9) | 2 ...... 380 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:382:23: 360 | call dwrite(2,unita,9) | 2 ...... 382 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling HGH_local.F... Compiling HGH_nonlocal.F... Compiling Tesseral.F... Compiling kbppv3.F... kbppv3.F:110:48: 102 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 110 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:371:23: 369 | call iwrite(2,psp_type,1) | 2 370 | call iwrite(2,version,1) 371 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:374:23: 372 | call dwrite(2,unita,9) | 2 373 | call cwrite(2,atom,2) 374 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:375:23: 372 | call dwrite(2,unita,9) | 2 ...... 375 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:392:41: 372 | call dwrite(2,unita,9) | 2 ...... 392 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:393:23: 372 | call dwrite(2,unita,9) | 2 ...... 393 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3-stress.F... kbppv3-stress.F:100:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 99 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 100 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3-stress.F:104:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 104 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3-stress.F:322:23: 321 | call iwrite(2,version,1) | 2 322 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling setup_kbpp.f... Compiling kbpp_ray.F... Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... Compiling integrate_stress.F... Compiling integrate_stress_new.F... Compiling integrate_stress_ray.F... Compiling aorbs_formatter.F... Compiling kbpp_orb.F... kbpp_orb.F:103:48: 96 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 103 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:275:23: 274 | call iwrite(2,version,1) | 2 275 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:280:23: 276 | call dwrite(2,unita,9) | 2 ...... 280 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_orb.F:281:23: 276 | call dwrite(2,unita,9) | 2 ...... 281 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_orb.F... Compiling integrate_pawppv1.F... Compiling integrate_paw_ray.F... Compiling kbppv3d.F... kbppv3d.F:431:23: 429 | call iwrite(2,psp_type,1) | 2 430 | call iwrite(2,version,1) 431 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d.F:434:23: 432 | call dwrite(2,unita,9) | 2 433 | call cwrite(2,atom,2) 434 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:435:23: 432 | call dwrite(2,unita,9) | 2 ...... 435 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:452:41: 432 | call dwrite(2,unita,9) | 2 ...... 452 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:453:23: 432 | call dwrite(2,unita,9) | 2 ...... 453 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3d_stress.F... kbppv3d_stress.F:102:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 101 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 102 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3d_stress.F:106:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 106 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d_stress.F:321:23: 320 | call iwrite(2,version,1) | 2 321 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3d.f... Compiling integrate_d_stress.F... Compiling integrate_kbppv3d_new.f... Compiling integrate_d_stress_new.F... Compiling kbppv3e.F... kbppv3e.F:124:48: 115 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 124 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:125:49: 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 125 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:405:23: 403 | call iwrite(2,psp_type,1) | 2 404 | call iwrite(2,version,1) 405 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:408:23: 406 | call dwrite(2,unita,9) | 2 407 | call cwrite(2,atom,2) 408 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:409:23: 406 | call dwrite(2,unita,9) | 2 ...... 409 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:425:41: 406 | call dwrite(2,unita,9) | 2 ...... 425 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:426:23: 406 | call dwrite(2,unita,9) | 2 ...... 426 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3e_stress.F... kbppv3e_stress.F:112:48: 105 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 112 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:113:49: 107 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 113 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:342:23: 341 | call iwrite(2,version,1) | 2 342 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3e.f... Compiling integrate_kbppv3e_new.f... Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... Compiling integrate_e_stress_new.F... Compiling integrate_e_stress_ray.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Making all in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Compiling wvfnc_init_input.F... wvfnc_init_input.F:244:43: 234 | > mt_int,1,nup)) | 2 ...... 244 | > mt_int,(4*nup+1),up_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:249:45: 234 | > mt_int,1,nup)) | 2 ...... 249 | > mt_int,(4*ndown+1),down_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:254:35: 234 | > mt_int,1,nup)) | 2 ...... 254 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling wvfnc_init.F... wvfnc_init.F:56:57: 50 | value = btdb_get(rtdb,'wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 56 | value = btdb_get(rtdb,'wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). wvfnc_init.F:115:20: 114 | call iwrite(6,version,1) | 2 115 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:118:20: 114 | call iwrite(6,version,1) | 2 ...... 118 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:141:22: 116 | call dwrite(6,unita,9) | 2 ...... 141 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_new.F... wvfnc_new.F:169:20: 168 | call iwrite(6,version,1) | 2 169 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:172:20: 168 | call iwrite(6,version,1) | 2 ...... 172 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:199:26: 170 | call dwrite(6,unita,9) | 2 ...... 199 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_new.F:297:30: 170 | call dwrite(6,unita,9) | 2 ...... 297 | call dwrite(6,fz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:299:30: 170 | call dwrite(6,unita,9) | 2 ...... 299 | call dwrite(6,fy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:301:30: 170 | call dwrite(6,unita,9) | 2 ...... 301 | call dwrite(6,fx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... wvfnc_expander.F:63:19: 62 | call iread(5,version,1) | 2 63 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:66:19: 62 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:76:20: 75 | call iwrite(6,version,1) | 2 76 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:79:20: 75 | call iwrite(6,version,1) | 2 ...... 79 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:109:23: 64 | call dread(5,unita,9) | 2 ...... 109 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expander.F:116:24: 77 | call dwrite(6,unita,9) | 2 ...... 116 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_reformat.F... wvfnc_reformat.F:67:19: 66 | call iread(5,version,1) | 2 67 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:70:19: 66 | call iread(5,version,1) | 2 ...... 70 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:82:20: 81 | call iwrite(6,version,1) | 2 82 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:85:20: 81 | call iwrite(6,version,1) | 2 ...... 85 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:122:24: 68 | call dread(5,unita,9) | 2 ...... 122 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_reformat.F:123:24: 83 | call dwrite(6,unita2,9) | 2 ...... 123 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_ionize.F... wvfnc_ionize.F:84:19: 83 | call iread(5,version,1) | 2 84 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:87:19: 83 | call iread(5,version,1) | 2 ...... 87 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:102:20: 101 | call iwrite(6,version,1) | 2 102 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:105:20: 101 | call iwrite(6,version,1) | 2 ...... 105 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:128:23: 85 | call dread(5,unita,9) | 2 ...... 128 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_ionize.F:134:26: 103 | call dwrite(6,unita,9) | 2 ...... 134 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_adjust.F... wvfnc_adjust.F:163:19: 162 | call iread(5,version,1) | 2 163 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:166:19: 162 | call iread(5,version,1) | 2 ...... 166 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:172:20: 171 | call iwrite(6,version,1) | 2 172 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:175:20: 171 | call iwrite(6,version,1) | 2 ...... 175 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:220:22: 162 | call iread(5,version,1) | 2 ...... 220 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:223:22: 162 | call iread(5,version,1) | 2 ...... 223 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:240:28: 164 | call dread(5,unita,9) | 2 ...... 240 | call dread(5,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:300:26: 173 | call dwrite(6,unita,9) | 2 ...... 300 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:314:25: 162 | call iread(5,version,1) | 2 ...... 314 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:317:25: 162 | call iread(5,version,1) | 2 ...... 317 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:336:28: 162 | call iread(5,version,1) | 2 ...... 336 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:339:28: 162 | call iread(5,version,1) | 2 ...... 339 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:404:19: 162 | call iread(5,version,1) | 2 ...... 404 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:407:19: 162 | call iread(5,version,1) | 2 ...... 407 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling wvfnc_convert_restricted.F... wvfnc_convert_restricted.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:78:20: 77 | call iwrite(6,version,1) | 2 78 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:81:20: 77 | call iwrite(6,version,1) | 2 ...... 81 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:102:23: 61 | call dread(5,unita,9) | 2 ...... 102 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:105:24: 79 | call dwrite(6,unita,9) | 2 ...... 105 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:115:19: 59 | call iread(5,version,1) | 2 ...... 115 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:118:19: 59 | call iread(5,version,1) | 2 ...... 118 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_wvfnc_init_input.F... v_wvfnc_init_input.F:154:35: 144 | > mt_int,1,nup)) | 2 ...... 154 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling v_wvfnc_init.F... v_wvfnc_init.F:46:59: 43 | value = btdb_get(rtdb,'v_wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 46 | value = btdb_get(rtdb,'v_wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). v_wvfnc_init.F:90:20: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:93:20: 89 | call iwrite(6,version,1) | 2 ...... 93 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:103:22: 91 | call dwrite(6,unita,9) | 2 ...... 103 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling v_wvfnc_new.F... v_wvfnc_new.F:60:20: 59 | call iwrite(6,version,1) | 2 60 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:63:20: 59 | call iwrite(6,version,1) | 2 ...... 63 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:73:22: 61 | call dwrite(6,unita,9) | 2 ...... 73 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_wannier_input.F... pspw_wannier_input.F:104:60: 95 | if (.not.rtdb_put(rtdb,'wannier:maxiter',mt_int,1,it)) | 2 ...... 104 | if (.not.rtdb_put(rtdb,'wannier:time_step',mt_dbl,1,tstep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_wannier.F... Compiling silvestrelli_overlap.F... silvestrelli_overlap.F:59:72: 59 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:41:22: 41 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here silvestrelli_overlap.F:186:72: 186 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:168:22: 168 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... Compiling silvestrelli_overlap_old.F... silvestrelli_overlap_old.F:53:72: 53 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap_old.F:38:22: 38 | integer rgrid(2),Tc(2),Ts(2),psic,psis | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize_old.F... Compiling pspw_wannier2.F... pspw_wannier2.F:236:28: 221 | call Pack_c_Copy(1,dcpl_mb(psi(1) +(n-1)*npack1), | 2 ...... 236 | call Pack_c_Copy(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_wannier2.F:237:28: 222 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 237 | > dcpl_mb(psi(1) +(n-1)*npack1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_translate.F... Compiling expand_cell.F... expand_cell.F:51:44: 38 | value = btdb_get(rtdb,'nwpw:cell_expand',mt_int,3,cell_expand) | 2 ...... 51 | if (btdb_get(rtdb,rtdb_unita,mt_dbl,9,amatrix)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling wvfnc_expand_cell.F... wvfnc_expand_cell.F:61:19: 60 | call iread(5,version,1) | 2 61 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:64:19: 60 | call iread(5,version,1) | 2 ...... 64 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:91:20: 90 | call iwrite(6,version,1) | 2 91 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:94:20: 90 | call iwrite(6,version,1) | 2 ...... 94 | call iwrite(6,dne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:121:23: 62 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expand_cell.F:132:24: 92 | call dwrite(6,unita,9) | 2 ...... 132 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling band_reformat_c_wvfnc.F... band_reformat_c_wvfnc.F:49:19: 48 | call iread(5,version,1) | 2 49 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:52:19: 48 | call iread(5,version,1) | 2 ...... 52 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:67:20: 66 | call iwrite(6,version,1) | 2 67 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:70:20: 66 | call iwrite(6,version,1) | 2 ...... 70 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:116:23: 50 | call dread(5,unita,9) | 2 ...... 116 | call dread(5,dcpl_mb(cfull_in(1)),2*nfft3d_in) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:120:23: 68 | call dwrite(6,unita,9) | 2 ...... 120 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:197:19: 48 | call iread(5,version,1) | 2 ...... 197 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:200:19: 48 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:215:20: 66 | call iwrite(6,version,1) | 2 ...... 215 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:218:20: 66 | call iwrite(6,version,1) | 2 ...... 218 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:346:19: 48 | call iread(5,version,1) | 2 ...... 346 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:349:19: 48 | call iread(5,version,1) | 2 ...... 349 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:364:20: 66 | call iwrite(6,version,1) | 2 ...... 364 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:367:20: 66 | call iwrite(6,version,1) | 2 ...... 367 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling makenodefunctions.F... makenodefunctions.F:113:72: 113 | call psi_derivative_f(itype,gx,gy,gz,psir) | 1 Warning: Type mismatch in argument 'f' at (1); passed REAL(8) to COMPLEX(8) makenodefunctions.F:133:28: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). makenodefunctions.F:133:33: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Making all in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Compiling cpsd_input.F... cpsd_input.F:136:54: 116 | > geometry_optimize) | 2 ...... 136 | value = rtdb_put(rtdb,'cpsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cpmd_input.F... cpmd_input.F:172:54: 155 | > geometry_optimize) | 2 ...... 172 | value = rtdb_put(rtdb,'cpmd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cpsdv5.F... cpsdv5.F:790:2: 790 | #warning backspace | 1~~~~~~ Warning: #warning backspace [-Wcpp] cpsdv5.F:995:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 995 | > dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsdv5.F:996:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 996 | > dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpmdv5.F... cpmdv5.F:354:50: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 354 | call ycopy(2*npack1*(neq(1)+neq(2)),0.0d0,0,dcpl_mb(psi1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:412:42: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 412 | call ycopy(2*(neq(1)+neq(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling mmsdv1.F... Compiling inner_loop_md.F... inner_loop_md.F:465:27: 444 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 465 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_md.F:531:30: 461 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 531 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling mm_loop.F... Compiling psi_lmbda.f... Compiling psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... Compiling psi_lmbda2.f... Compiling psi_lmbda3.f... psi_lmbda3.f:179:20: 126 | > tmp(s21),n, | 2 ...... 179 | > psi1(1,n1(ms)),2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_lmbda3.f:182:20: 129 | > tmp(sa1),n) | 2 ...... 182 | > psi2(1,n1(ms)),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_lmbda_omp.F... Compiling fei_output.F... Compiling dipole_motion.F... Compiling pspw_et.F... pspw_et.F:1594:41: 1500 | call ycopy(n2ft3d,0.0d0,0,rho,1) | 2 ...... 1594 | call ycopy(2*nemaxq*npack1,0.0d0,0,dcpl_mb(Hpsi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling runsocket.F... runsocket.F:100:42: 72 | call nwpw_talker_read(sock,msg,12) | 2 ...... 100 | call nwpw_talker_read(sock,unita,9*8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). runsocket.F:148:43: 94 | call nwpw_talker_write(sock,statebuffer,12) | 2 ...... 148 | call nwpw_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling inner_loop.F... inner_loop.F:477:27: 451 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 477 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop.F:538:30: 473 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 538 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Making all in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Compiling cgsd_input.F... cgsd_input.F:445:54: 437 | > frac_coord) | 2 ...... 445 | > rtdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling pspw_noit_energy.F... Compiling pspw_energy.F... pspw_energy.F:65:51: 49 | > runme)) | 2 ...... 65 | if (rtdb_get(rtdb,'cgsd:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). pspw_energy.F:114:21: 82 | value = rtdb_put(rtdb,'cgsd:wcut',mt_dbl,1,wcut) | 2 ...... 114 | > .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling pspw_gradient.F... Compiling pspw_bq_gradient.F... Compiling pspw_stress.F... Compiling cgsdv5.F... cgsdv5.F:709:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 709 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:712:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 712 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:724:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 724 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsdv5.F:727:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 727 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:648:72: 648 | if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ | ^ Warning: 'evq' may be used uninitialized [-Wmaybe-uninitialized] cgsdv5.F:61:20: 61 | real*8 EV,EVQ,pi,rs | ^ note: 'evq' was declared here Compiling cgmontecarlov1.F... cgmontecarlov1.F:769:27: 197 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 769 | call ycopy(9,mc_unita1,1,mc_unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1056:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1056 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1059:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1059 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1069:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1069 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1072:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1072 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:761:72: 761 | > dbl_mb(frac1(1))) | ^ Warning: 'frac1[0]' may be used uninitialized [-Wmaybe-uninitialized] cgmontecarlov1.F:81:35: 81 | integer vcount,geom1,frac1(2),nion1 | ^ note: 'frac1[0]' was declared here Compiling cgoptimize1.F... cgoptimize1.F:716:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 716 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:719:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:729:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgoptimize1.F:732:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:429:13: 429 | if (opt_algorithm.eq.0) then | ^ Warning: 'opt_algorithm' may be used uninitialized [-Wmaybe-uninitialized] cgoptimize1.F:75:27: 75 | integer opt_algorithm | ^ note: 'opt_algorithm' was declared here Compiling cgmdv5.F... cgmdv5.F:1079:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1079 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1082:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1082 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1092:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1092 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmdv5.F:1095:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1095 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mmmdv1.F... mmmdv1.F:719:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mmmdv1.F:729:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mmmdv1.F:732:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgsd_noit_energy.F... Compiling cgsd_energy.F... cgsd_energy.F:281:36: 279 | call ecce_print1('iteration counter', mt_int,icount*it_in,1) | 2 280 | call ecce_print1('iterative total energy difference', 281 | > mt_dbl, deltae, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cgsd_energy.F:1209:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1209 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsd_energy.F:1547:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1547 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling cgsd_excited.F... Compiling cgsd_oep_eigenvalues.F... Compiling cgminimize.F... Compiling cgminimize2.F... Compiling cgminimizeABC.F... Compiling bfgsminimize.F... Compiling bfgsminimize2.F... Compiling bfgsminimize3.F... Compiling bfgsminimizeABC.F... Compiling bybminimize0.F... Compiling bybminimize.F... bybminimize.F:270:72: 270 | deltae = Enew-Eold | ^ Warning: 'enew' may be used uninitialized [-Wmaybe-uninitialized] bybminimize.F:45:21: 45 | real*8 Enew,Eold,alpha | ^ note: 'enew' was declared here Compiling bybminimize2.F... Compiling sdminimize.F... Compiling nominimize.F... Compiling md_energy.F... Compiling kp_structure.F... kp_structure.F:120:72: 120 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here kp_structure.F:121:72: 121 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here kp_structure.F:122:72: 122 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here Compiling pspw_director.F... pspw_director.F:215:34: 215 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:179:34: 179 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:154:34: 154 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:135:34: 135 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Making all in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Compiling analysis_input.F... Compiling analysis.F... analysis.F:167:40: 144 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 167 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling orb_pop.F... Compiling orb_pop_kawai.F... Compiling orb_pop_aorb.F... Compiling orb.F... orb.F:75:45: 69 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) | 2 ...... 75 | > dbl_mb(b0(1)+(k-1)*6))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_Lubin_water_analysis.F... Compiling pspw_atom_analysis.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making all in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' Compiling pspw_APC.F... pspw_APC.F:1313:47: 1313 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:1404:55: 1309 | call Parallel_shared_vector_zero(.true.,ngs,dbl_mb(u(1))) | 2 ...... 1404 | call Parallel_shared_vector_zero(.true.,2*npack0,dcpl_mb(vtmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_APC.F:1220:47: 1220 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:62:52: 54 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 62 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). pspw_APC.F:445:72: 445 | > dbl_mb(A(1)+3*ngs*ngs+indx)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[2]' was declared here pspw_APC.F:442:72: 442 | > dbl_mb(A(1)+2*ngs*ngs+indx)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[1]' was declared here pspw_APC.F:439:72: 439 | > dbl_mb(A(1)+ngs*ngs+indx)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[0]' was declared here Compiling pspw_atom_Efield.F... Compiling util_diag_jacobi.F... Compiling util_sorteps.F... Compiling pspw_atom_Efield_grad.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making all in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Compiling cell_optimize_input.F... cell_optimize_input.F:250:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 250 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:253:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 253 | > mt_int,9,optimize_lattice_vectors) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:256:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 256 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cell_optimize.F... cell_optimize.F:44:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 44 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize.F:48:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 48 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling update_unitcell.F... update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here Compiling pspw_stress_numerical.F... Compiling pspw_force_numerical.F... Compiling force_fd.F... force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here Compiling stress_fd.F... stress_fd.F:131:53: 120 | > mt_log,1,lstress_numerical)) | 2 ...... 131 | > btdb_get(rtdb,'pspw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). stress_fd.F:192:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 192 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:324:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 324 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:497:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 497 | call ycopy(9,all_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:511:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 511 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:620:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 620 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:798:22: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 798 | call ycopy(6,all_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Making all in qmmm make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Compiling pspw_qmmm_input.F... pspw_qmmm_input.F:170:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 170 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,npair) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pspw_qmmm_input.F:501:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 501 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:534:49: 168 | if (.not.rtdb_get(rtdb,rtdb_name,mt_int,1,npair)) npair = 0 | 2 ...... 534 | > mt_dbl,(2*basis_length-2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_qmmm_input.F:560:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 560 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:730:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 730 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:736:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 736 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1438:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1438 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1444:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1444 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:2115:51: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 2115 | if (.not.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling pspw_qmmm.F... pspw_qmmm.F:106:46: 70 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,value)) value = .false. | 2 ...... 106 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling pspw_2qmmm.F... pspw_2qmmm.F:78:46: 60 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nfrag)) nfrag = 0 | 2 ...... 78 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_springs.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making all in pspw_LJ make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Compiling pspw_LJ.F... pspw_LJ.F:99:59: 68 | value = btdb_get(rtdb,rtdbname(1:j),mt_dbl,2,sigma_epsilon) | 2 ...... 99 | if (.not.btdb_get(rtdb,'pspw_LJ_include_qm',mt_log,1,include_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_LJ.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Compiling pspw_Q.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_Q.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Making all in pspw_Pair make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Compiling pspw_Pair.F... pspw_Pair.F:72:33: 63 | if (.not.btdb_get(rtdb,rtdbname(1:k),mt_dbl,2,sigma_epsilon)) | 2 ...... 72 | > mt_log,1,include_lj_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_Pair.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Making all in mmq make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' Compiling mmq.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a mmq.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making all in charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Compiling pspw_charge.F... pspw_charge.F:110:51: 103 | > 'nwpw:charge_type',mt_int,1,charge_type)) then | 2 ...... 110 | > 'nwpw:charge_dielectric_d',mt_dbl,1,s_d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_charge.F:677:44: 675 | call Parallel_shared_vector_zero(.false.,n2ft3d,Vqm) | 2 676 | call Parallel_shared_vector_zero(.false.,2*npack0, 677 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:686:43: 684 | call Pack_cc_daxpy(0,q1,dcpl_mb(exi(1)),Vqm) | 2 685 | call Pack_cc_daxpy(0,dabs(q1),dcpl_mb(exi(1)), 686 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:692:53: 691 | call Pack_tc_Mul2(0,dbl_mb(vc_charge(1)),Vqm) | 2 692 | call Pack_tc_Mul2(0,dbl_mb(vc2_charge(1)),dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_efield.F... pspw_efield.F:31:59: 27 | if (.not.btdb_get(rtdb,'nwpw:efield',mt_log,1,efield_on)) | 2 ...... 31 | if(.not.btdb_get(rtdb,'nwpw:efield_type',mt_int,1,efield_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_charge.o pspw_efield.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Making all in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Compiling pspw_dplot_input.F... pspw_dplot_input.F:291:42: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 291 | > mt_dbl,3,x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot_input.F:602:57: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 602 | if (.not.rtdb_put(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pspw_dplot.F... pspw_dplot.F:698:72: 698 | call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) | 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) pspw_dplot.F:753:62: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 753 | if (.not.btdb_get(rtdb,name2(1:name2_len),mt_dbl,3,x)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot.F:778:50: 618 | 710 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 778 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:779:32: 673 | call D3dB_rc_fft3f(1,dbl_mb(rho(1))) | 2 ...... 779 | call D3dB_rc_fft3f(1,dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:987:57: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 987 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:2078:25: 674 | call Pack_c_pack(1,dbl_mb(rho(1))) | 2 ...... 2078 | call Pack_c_pack(0,dcpl_mb(tmp2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:423:33: 423 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 1 ...... 2076 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp2(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_dplot.F:93:57: 93 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 ...... 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:261:72: 261 | > fractional,dbl_mb(occ2(1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:273:72: 273 | > .false.,tag) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) Compiling pspw_dplot_iteration.F... Compiling ELF.F... ELF.F:83:30: 72 | call D3dB_r_Zero_Ends(1,dbl_mb(dns(1))) | 2 ...... 83 | call D3dB_r_Zero_Ends(1,dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:105:35: 105 | call ycopy(n2ft3d,0.0d0,0,dcpl_mb(dng(1)),1) | 1 ...... 187 | call ycopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:446:72: 446 | tsum = tsum * dv | ^ Warning: 'tsum' is used uninitialized [-Wuninitialized] ELF.F:385:27: 385 | real*8 summ(100),tsum,msum,x,y,z,dv,dx,dy,dz,rr,rrmin | ^ note: 'tsum' declared here Compiling Ursenbach_smoother.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Making all in lcao make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' Compiling lcao_wvfnc.F... Compiling wvfnc_new_lcao_density.F... wvfnc_new_lcao_density.F:371:29: 358 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 371 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_write_matrix.F... Compiling lcao_generate_smatrix.F... Compiling lcao_generate_kematrix.F... Compiling lcao_generate_vlmatrix.F... lcao_generate_vlmatrix.F:98:30: 75 | call Pack_c_unpack(0,dcpl_mb(vl(1))) | 2 ...... 98 | call Pack_c_unpack(1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:99:33: 76 | call D3dB_cr_pfft3b(1,0,dcpl_mb(vl(1))) | 2 ...... 99 | call D3dB_cr_pfft3b(1,1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:28: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:41: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). lcao_generate_vlmatrix.F:40:72: 40 | vpsi = vlr_l(1) | ^ Warning: 'vlr_l' may be used uninitialized [-Wmaybe-uninitialized] lcao_generate_vlmatrix.F:20:28: 20 | integer vl(2),vlr_l(2),rgrid(2),vpsi | ^ note: 'vlr_l' declared here Compiling lcao_generate_vnlmatrix.F... Compiling lcao_generate_vhxcmatrix.F... lcao_generate_vhxcmatrix.F:172:31: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vhxcmatrix.F:172:44: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_init_dn.F... Compiling lcao_new_dn.F... Compiling lcao_make_psi.F... Compiling lcao_write_psi.F... lcao_write_psi.F:73:23: 72 | call iwrite(6,version,1) | 2 73 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:76:23: 72 | call iwrite(6,version,1) | 2 ...... 76 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:185:23: 72 | call iwrite(6,version,1) | 2 ...... 185 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:188:23: 72 | call iwrite(6,version,1) | 2 ...... 188 | call iwrite(6,ne_excited,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling lcaov1.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a task_pspw.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Making all in paw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Compiling task_paw.F... Making all in paw_geometry make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' Making all in paw_ma make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Compiling paw_ma.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_ma.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Making all in paw_utils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Compiling integrate.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Compiling paw_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling io_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling chkerr.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling double_factorial.f... double_factorial.f:15:72: 15 | end | ^ Warning: '__result_double_factorial' may be used uninitialized [-Wmaybe-uninitialized] double_factorial.f:1:48: 1 | double precision function double_factorial(n) | ^ note: '__result_double_factorial' was declared here Compiling bessel_transform.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_gauss_weights.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_spher_grid.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Making all in paw_basis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Compiling paw_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_basis.F:365:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 365 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). paw_basis.F:375:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 375 | call BRDCST(9+MSGDBL,eig, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:379:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 379 | call BRDCST(9+MSGDBL,core_density, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:380:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 380 | call BRDCST(9+MSGDBL,ps_core_density,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:381:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 381 | call BRDCST(9+MSGDBL,v_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:385:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 385 | call BRDCST(9+MSGDBL,phi_ae, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:386:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 386 | call BRDCST(9+MSGDBL,phi_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:387:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 387 | call BRDCST(9+MSGDBL,phi_ae_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:388:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 388 | call BRDCST(9+MSGDBL,phi_ps_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:389:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 389 | call BRDCST(9+MSGDBL,prj_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:390:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 390 | call BRDCST(9+MSGDBL,prj_ps0, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_small_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_basis_data.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Making all in paw_proj make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Compiling paw_proj.F... paw_proj.F:522:22: 520 | call iread(5,ngrid,3) | 2 521 | call dread(5,unita,9) 522 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:529:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 528 | msglen = 9 529 | call BRDCST(9+MSGDBL,unita,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). paw_proj.F:531:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 531 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:605:22: 520 | call iread(5,ngrid,3) | 2 ...... 605 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:615:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 615 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:709:23: 707 | call iwrite(6,ngrid,3) | 2 708 | call dwrite(6,unita,9) 709 | call iwrite(6,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:808:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 808 | call iwrite(6,l,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:809:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 809 | call iwrite(6,m,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_proj.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Making all in paw_matrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Compiling paw_comp_charge_matrix.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_comp_charge_matrix.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Making all in paw_ovlp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Compiling paw_ovlp.F... Compiling paw_overlap_matrix.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_ovlp.o paw_overlap_matrix.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Making all in paw_comp_charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Compiling paw_comp_charge.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_comp_charge.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Making all in paw_special_functions make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Compiling paw_spher_func.F... Compiling paw_double_factorial.F... Compiling paw_gamma_function.F... Compiling paw_hypergeom1F1.F... paw_hypergeom1F1.F:12:48: 12 | DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) | ^ Warning: '__result_paw_hypergeom1f1' may be used uninitialized [-Wmaybe-uninitialized] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Making all in paw_gaunt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Compiling paw_gaunt.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_gaunt.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Making all in paw_kinetic make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Compiling paw_energy_kin_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_kin.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Making all in paw_vloc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Compiling paw_energy_vloc_atom.F... Compiling paw_matrix_vloc.F... Compiling paw_vloc.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Making all in paw_ion_potential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Compiling paw_energy_ion_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_ion.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Making all in paw_core make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Compiling paw_energy_core_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_core.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_energy_core_atom.o paw_matrix_core.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Making all in paw_hartree make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Compiling paw_matrix_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_pot_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_energy_hartree_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Making all in paw_comp_pot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Compiling paw_matrix_comp_pot.F... Compiling paw_pot_comp.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Making all in paw_mult make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Compiling paw_mult.F... paw_mult.F:1118:40: 1118 | call ycopy((lmax+1)*nkatm,0.0d0,0,coeff,1) | 1 ...... 1163 | > dcpl_mb(comp_coeff(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_mult_interaction.F... Compiling paw_mult_energy.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Making all in paw_nonlocal make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Compiling paw_nonlocal.F... paw_nonlocal.F:281:35: 241 | > dcpl_mb(paw_Gop_static(1)),1, | 2 ...... 281 | call ycopy(2*paw_nl_coeff(3),0.0d0,0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_nonlocal.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Making all in paw_density make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Compiling paw_density.F... paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_density.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Making all in paw_xc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Compiling paw_xc.F... paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:484:41: 484 | call ycopy(2*paw_xc_pot(3),0.0d0,0,dcpl_mb(paw_xc_pot(1)),1) | 1 ...... 1307 | call ycopy(3*ic*ispin,0.0d0,0,rho_prime,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:858:44: 855 | > dcpl_mb(paw_xc_pot(1))) | 2 ...... 858 | call D3dB_Vector_Sumall(paw_xc_e(3),dbl_mb(paw_xc_e(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_vosko.F... Compiling paw_dirac_x.F... Compiling paw_gga.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Making all in paw_force make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Compiling paw_force.F... paw_force.F:215:30: 215 | > dcpl_mb(paw_force_cx_s(1))) | 1 ...... 906 | if (np.gt.1) call D3dB_Vector_SumAll(3*nion,dbl_mb(ft(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_force.F:260:34: 260 | call ycopy(tcount,0.0d0,0,dcpl_mb(paw_force_wx_u(1)),1) | 1 ...... 768 | call ycopy(3*nion,0.0d0,0,dbl_mb(ft(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_force.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Making all in paw_Grsm_list make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Compiling paw_Grsm_list.F... Compiling paw_lmbfgs.F... paw_lmbfgs.F:80:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 80 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:82:39: 26 | call paw_Grsm_list_store(2*m-1,g) | 2 ...... 82 | call paw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:96:25: 88 | > dbl_mb(ss(1)), | 2 ...... 96 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_lmbfgs.F:99:35: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:99:51: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_Grsm_list.o paw_lmbfgs.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Making all in paw_psi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Compiling paw_psi.F... paw_psi.F:167:22: 167 | call ycopy(8*nn,0.0d0,0,tmp,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:171:22: 171 | call ycopy(2*nn,0.0d0,0,lmbda,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:223:20: 223 | > psi1(1,n1(ms)),2*npack1, | 1 ...... 395 | > fnm,n_max, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi.F:226:20: 226 | > psi2(1,n1(ms)),2*npack1) | 1 ...... 398 | > tmp,n_max) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_psi2.F... paw_psi2.F:2471:31: 722 | > rho, 1, | 2 ...... 2471 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2526:31: 722 | > rho, 1, | 2 ...... 2526 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2925:51: 2897 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 2 ...... 2925 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:32: 722 | > rho, 1, | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:40: 723 | > dbl_mb(rho_ptr),1) | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi2.F:3010:32: 722 | > rho, 1, | 2 ...... 3010 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi1_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3011:25: 722 | > rho, 1, | 2 ...... 3011 | call ycopy(2*nemax,0.0d0,0,dbl_mb(eig_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:189:72: 189 | > dcpl_mb(t(1))) | ^ Warning: 'lmbda_r0' may be used uninitialized [-Wmaybe-uninitialized] paw_psi2.F:115:54: 115 | real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 | ^ note: 'lmbda_r0' was declared here paw_psi2.F:189:72: 189 | > dcpl_mb(t(1))) | ^ Warning: 'lmbda_r0' may be used uninitialized [-Wmaybe-uninitialized] paw_psi2.F:115:54: 115 | real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 | ^ note: 'lmbda_r0' was declared here Compiling paw_psi_new.F... Compiling paw_psi_H.F... Compiling paw_electron.F... paw_electron.F:1266:30: 431 | > dcpl_mb(tmp2(1))) | 2 ...... 1266 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1588:28: 426 | > dng, | 2 ...... 1588 | > dbl_mb(dn_cmp_smooth(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1589:28: 427 | > dbl_mb(dn_cmp_smooth(1)), | 2 ...... 1589 | > dng, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1631:32: 1268 | call Pack_c_unpack(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1631 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1632:32: 1269 | call D3dB_cr_fft3b(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1632 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1633:35: 1270 | call D3dB_r_Zero_Ends(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1633 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1381:32: 1381 | call D3dB_r_SMul1(1,scal1,dbl_mb(tmp1(1))) | 1 ...... 1638 | call D3dB_r_SMul1(1,scal1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1382:27: 1382 | call D3dB_rc_fft3f(1,dbl_mb(tmp1(1))) | 1 ...... 1637 | call D3dB_rc_fft3f(1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1383:25: 1383 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 1 ...... 1639 | call Pack_c_pack(0,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1384:25: 430 | > dcpl_mb(vcomp(1)), | 2 ...... 1384 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:225:42: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:225:49: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1469:29: 1443 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)), | 2 ...... 1469 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1511:44: 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 ...... 1511 | call ycopy(4*nfft3d,dbl_mb(vall(1)),1,vall_out,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling paw_geodesic.F... paw_geodesic.F:315:20: 315 | > dbl_mb( Vt(1)+shift2),n, | 1 ...... 671 | > A,2*npack, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_geodesic.F:318:20: 318 | > dbl_mb(tmp2(1)+shift2),n) | 1 ...... 674 | > U,2*npack) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Making all in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Compiling paw_sd.F... paw_sd.F:903:40: 331 | call ycopy(20,0.0d0,0,E,1) | 2 ...... 903 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_cpmd.F... paw_cpmd.F:538:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 538 | call ycopy(2*(ne(1)+ne(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:539:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 539 | > dcpl_mb(psi0(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_inner_loop.F... paw_inner_loop.F:327:32: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:327:40: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:345:44: 303 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 345 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:392:28: 375 | > dn_cmp_smooth, | 2 ...... 392 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:409:32: 304 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 409 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:410:32: 305 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 410 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:411:35: 306 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 411 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:603:41: 491 | call paw_ovlp_S(n2(ispin),psi1,psi2) ! psi2 = S*psi1 | 2 ...... 603 | call paw_ovlp_S(n2(ispin),psi1,psi_r) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:675:25: 376 | > dcpl_mb(dng(1)), | 2 ...... 675 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_inner_loop_md.F... paw_inner_loop_md.F:331:32: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:331:40: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:356:44: 307 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 356 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:403:28: 386 | > dn_cmp_smooth, | 2 ...... 403 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:420:32: 308 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 420 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:421:32: 309 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 421 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:422:35: 310 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 422 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:722:23: 387 | > dcpl_mb(dng(1)), | 2 ...... 722 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:603:72: 603 | call Pack_cc_daxpy(1,-1.0d0*sa2,psi0(1,n),psi2(1,n)) | ^ Warning: 'sa2' may be used uninitialized [-Wmaybe-uninitialized] paw_inner_loop_md.F:128:37: 128 | real*8 eke,eki,sse,ssr,sa1,sa2 | ^ note: 'sa2' was declared here paw_inner_loop_md.F:602:72: 602 | call Pack_c_SMul(1,dte*sa1,Hpsi(1,n),psi2(1,n)) | ^ Warning: 'sa1' may be used uninitialized [-Wmaybe-uninitialized] paw_inner_loop_md.F:128:33: 128 | real*8 eke,eki,sse,ssr,sa1,sa2 | ^ note: 'sa1' was declared here Compiling psi_marat_write.F... Compiling paw_output.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Making all in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Compiling paw_energy.F... Compiling paw_noit_energy.F... Compiling paw_gradient.F... Compiling paw_stress.F... Compiling paw_minimizer.F... paw_minimizer.F:500:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 500 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_minimizer.F:511:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 511 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_minimizer.F:505:72: 505 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] paw_minimizer.F:64:25: 64 | integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d | ^ note: 'nion' was declared here Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... Compiling paw_bfgsminimize.F... Compiling paw_nominimize.F... Compiling paw_sdminimize.F... Compiling paw_cgsd_noit_energy.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Making all in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' Compiling paw_stress_numerical.F... Compiling paw_stress_fd.F... paw_stress_fd.F:91:53: 79 | > mt_log,1,lstress_numerical)) | 2 ...... 91 | > btdb_get(rtdb,'nwpw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). paw_stress_fd.F:134:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 134 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:183:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 183 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:237:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 237 | call ycopy(9,ke_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:263:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 263 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:308:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 308 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:362:22: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 362 | call ycopy(6,ke_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_cell_optimize.F... paw_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling paw_update_unitcell.F... paw_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] paw_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a task_paw.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Making all in band make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Compiling band_input.F... band_input.F:282:54: 279 | > mulliken) | 2 ...... 282 | value = rtdb_put(rtdb,'band:fake_mass',mt_dbl,1,fake_mass) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Compiling task_band.F... Compiling band_energy.F... band_energy.F:69:51: 40 | if (.not.rtdb_get(rtdb,'nwpw:rho_use_symmetry',mt_log,1,use_sym)) | 2 ...... 69 | if (rtdb_get(rtdb,'band:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_energy.F:86:58: 59 | > mt_log,1,.false.)) | 2 ...... 86 | value = rtdb_put(rtdb,'band:wcut',mt_dbl,1,wcut) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling band_noit_energy.F... Compiling band_gradient.F... Compiling band_stress.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making all in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Compiling band_minimizer.F... band_minimizer.F:648:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 648 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:658:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 658 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_minimizer.F:661:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 661 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:652:72: 652 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] band_minimizer.F:61:25: 61 | integer i,k,ia,nion,vers,nbrillioun,nb,ms | ^ note: 'nion' was declared here Compiling c_cgsd_energy.F... Compiling c_cgsd_noit_energy.F... Compiling c_cgsd_energy_gradient.F... Compiling c_cgsd_energy_stress.F... c_cgsd_energy_stress.F:64:19: 38 | call ycopy(9,0.0d0,0,stress,1) | 2 ...... 64 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling c_cgsd_excited.F... Compiling c_cgminimize.F... Compiling c_cgminimize2.F... Compiling c_cgminimizeABC.F... Compiling c_bfgsminimize.F... Compiling c_bfgsminimizeABC.F... Compiling c_bybminimize0.F... Compiling c_bybminimize.F... Compiling c_bybminimize2.F... c_bybminimize2.F:318:20: 283 | > dbl_mb(rho_in(1)),1, | 2 ...... 318 | > dcpl_mb(rho_out(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_bybminimize2.F:319:20: 284 | > dbl_mb(rho_junk(1)),1) | 2 ...... 319 | > dcpl_mb(rho_junk(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling c_sdminimize.F... Compiling c_nominimize.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Making all in structure make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Compiling band_structure.F... band_structure.F:693:38: 567 | > isize,dbl_mb(eigs_dos(1)))) then | 2 ...... 693 | > mt_int,1,norbs_dos)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[2]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[1]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[0]' was declared here Compiling band_interpolate_structure.F... band_interpolate_structure.F:262:72: 262 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here band_interpolate_structure.F:263:72: 263 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_interpolate_structure.F:264:72: 264 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here Compiling band_kp_structure.F... band_kp_structure.F:190:72: 190 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here band_kp_structure.F:191:72: 191 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_kp_structure.F:192:72: 192 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here Compiling band_fft_structure.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Making all in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Compiling band_sd.F... band_sd.F:922:72: 922 | write(luout,1457) E(20),E(20)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here band_sd.F:932:72: 932 | write(luout,1502) E(21),E(21)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here Compiling band_cpmd.F... band_cpmd.F:1128:72: 1128 | eave = E(25)/dble(icount+icount_shift) | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:89:46: 89 | integer icount,it_in,it_out,icount_shift | ^ note: 'icount_shift' was declared here band_cpmd.F:1061:72: 1061 | call print_elapsed_time(icount*it_in*dt) | ^ Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:85:22: 85 | real*8 EV,pi,dt,a,b,c,alpha,beta,gamma | ^ note: 'dt' was declared here Compiling band_inner_loop.F... band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) Compiling band_inner_loop_md.F... band_inner_loop_md.F:311:35: 154 | call ycopy(2*nfft3d,0.0d0,0,dbl_mb(xcp(1)),1) | 2 ...... 311 | call ycopy(ispin*nfft3d,dn,1,dbl_mb(dnall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:609:36: 609 | call Cram_c_SMul1(nb,-h,dbl_mb(psi0_shift)) | 1 ...... 757 | call Cram_c_SMul1(nb,2.0d0*sse,psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:611:31: 611 | > dbl_mb(psi2_shift), | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:612:31: 612 | > dbl_mb(psi0_shift)) | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:516:17: 516 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_inner_loop_md.F:535:18: 535 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_inner_loop_md.F:782:72: 782 | call Cram_cc_daxpy(nb,-1.0d0*sa2,psi0(1,n),psi2(1,n)) | ^ Warning: 'sa2' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:50:36: 50 | real*8 deltamm,weight,sa1,sa2,fmass,ssr,sse,r,s,h | ^ note: 'sa2' was declared here band_inner_loop_md.F:783:72: 783 | call Cram_cc_daxpy(nb,2.0d0*sa1,psi1(1,n),psi2(1,n)) | ^ Warning: 'sa1' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:50:32: 50 | real*8 deltamm,weight,sa1,sa2,fmass,ssr,sse,r,s,h | ^ note: 'sa1' was declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Making all in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Compiling band_stress_numerical.F... Compiling band_stress_fd.F... Compiling band_cell_optimize.F... band_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling band_update_unitcell.F... band_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] band_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Making all in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Compiling cpsp_formatter_auto.F... Compiling borbs_formatter.F... Compiling kbpp_band.F... kbpp_band.F:113:27: 112 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 113 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). kbpp_band.F:368:23: 366 | call iwrite(2,psp_type,1) | 2 367 | call iwrite(2,version,1) 368 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band.F:371:23: 369 | call dwrite(2,unita,9) | 2 370 | call cwrite(2,atom,2) 371 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:372:23: 369 | call dwrite(2,unita,9) | 2 ...... 372 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:388:23: 369 | call dwrite(2,unita,9) | 2 ...... 388 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbpp_band_orb.F... kbpp_band_orb.F:104:48: 97 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 104 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:240:23: 239 | call iwrite(2,version,1) | 2 240 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:245:23: 241 | call dwrite(2,unita,9) | 2 ...... 245 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band_orb.F:246:23: 241 | call dwrite(2,unita,9) | 2 ...... 246 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling setup_kbpp_band.f... Compiling integrate_kbpp_band_local.F... Compiling integrate_kbpp_band_nonlocal.F... Compiling integrate_kbpp_band_orb.F... Compiling kbpp_band_ray.F... Compiling integrate_kbpp_band_ray.F... Compiling integrate_kbpp_band_local_new.F... Compiling integrate_kbpp_band_nonlocal_new.F... Compiling cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... kbpp_band_stress.F:106:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 105 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 106 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbpp_band_stress.F:110:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 110 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_stress.F:316:23: 315 | call iwrite(2,version,1) | 2 316 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_band_stress_local.F... Compiling integrate_kbpp_band_stress_nonlocal.F... Compiling integrate_kbpp_band_stress_ray.F... Compiling integrate_kbpp_band_stress_local_new.F... Compiling integrate_kbpp_band_stress_nonlocal_new.F... Compiling HGH_band_local.F... Compiling HGH_band_nonlocal.F... Compiling Tesseral_band.F... Compiling Spherical_band.F... Compiling hghpp_band.F... hghpp_band.F:123:27: 118 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 123 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghpp_band.F:374:23: 372 | call iwrite(2,psp_type,1) | 2 373 | call iwrite(2,version,1) 374 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghpp_band.F:377:23: 375 | call dwrite(2,unita,9) | 2 376 | call cwrite(2,atom,2) 377 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:378:23: 375 | call dwrite(2,unita,9) | 2 ...... 378 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:395:23: 375 | call dwrite(2,unita,9) | 2 ...... 395 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:472:25: 375 | call dwrite(2,unita,9) | 2 ...... 472 | call dwrite(2,dcpl_mb(vnlso_indx),2*nsize*nprj) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling rkbpp_band.F... rkbpp_band.F:581:32: 581 | call ycopy(ngsize,0.0d0,0,vl,1) | 1 ...... 697 | call ycopy(nprj*ngx*ngy*ngz*4,0.0d0,0,vnl,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:625:43: 625 | call Parallel_Vector_SumAll(4*ngsize,rho_sc_k) | 1 ...... 773 | call Parallel_Vector_SumAll(ngx*ngy*ngz*4*nprj,vnl) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:108:27: 107 | call BRDCST(9+MSGINT,pspx,mitob(msglen),MASTER) | 2 108 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rkbpp_band.F:341:22: 339 | call iwrite(2,psp_type,1) | 2 340 | call iwrite(2,version,1) 341 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rkbpp_band.F:344:22: 342 | call dwrite(2,unita,9) | 2 343 | call cwrite(2,atom,2) 344 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:345:22: 342 | call dwrite(2,unita,9) | 2 ...... 345 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:359:22: 342 | call dwrite(2,unita,9) | 2 ...... 359 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:363:22: 342 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,dcpl_mb(vnl_indx),nsize*nprj_out*4) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:761:72: 761 | f(k)=a*vv*rho(k) | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here Compiling kbpp_e_band.F... kbpp_e_band.F:125:48: 118 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 125 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:126:49: 120 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 126 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:386:23: 384 | call iwrite(2,psp_type,1) | 2 385 | call iwrite(2,version,1) 386 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:389:23: 387 | call dwrite(2,unita,9) | 2 388 | call cwrite(2,atom,2) 389 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:390:23: 387 | call dwrite(2,unita,9) | 2 ...... 390 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:405:23: 387 | call dwrite(2,unita,9) | 2 ...... 405 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_e_band_nonlocal.F... Compiling integrate_kbpp_e_band_nonlocal_new.F... Compiling integrate_kbpp_e_band_local.F... Compiling integrate_kbpp_e_band_local_new.F... Compiling integrate_kbpp_e_band_ray.F... Compiling kbpp_e_band_stress.F... kbpp_e_band_stress.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:118:49: 111 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:336:23: 335 | call iwrite(2,version,1) | 2 336 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_e_band_stress_local.F... Compiling integrate_kbpp_e_band_stress_local_new.F... Compiling integrate_kbpp_e_band_stress_ray.F... Compiling integrate_kbpp_e_band_stress_nonlocal.F... Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Making all in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Compiling c_wvfnc_new.F... c_wvfnc_new.F:188:20: 187 | call iwrite(6,version,1) | 2 188 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:197:20: 187 | call iwrite(6,version,1) | 2 ...... 197 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:219:24: 189 | call dwrite(6,unita,9) | 2 ...... 219 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) !** should be writing zeros ** | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_new.F:305:30: 189 | call dwrite(6,unita,9) | 2 ...... 305 | call dwrite(6,rz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:307:30: 189 | call dwrite(6,unita,9) | 2 ...... 307 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:309:30: 189 | call dwrite(6,unita,9) | 2 ...... 309 | call dwrite(6,ry,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_expander.F... c_wvfnc_expander.F:58:19: 57 | call iread(5,version,1) | 2 58 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:66:19: 57 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:79:20: 78 | call iwrite(6,version,1) | 2 79 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:82:20: 78 | call iwrite(6,version,1) | 2 ...... 82 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:111:23: 59 | call dread(5,unita,9) | 2 ...... 111 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:118:24: 80 | call dwrite(6,unita,9) | 2 ...... 118 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:127:23: 59 | call dread(5,unita,9) | 2 ...... 127 | call dread(5,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_expander.F:128:24: 80 | call dwrite(6,unita,9) | 2 ...... 128 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_adjust.F... c_wvfnc_adjust.F:169:19: 168 | call iread(5,version,1) | 2 169 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:172:19: 168 | call iread(5,version,1) | 2 ...... 172 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:179:20: 178 | call iwrite(6,version,1) | 2 179 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:182:20: 178 | call iwrite(6,version,1) | 2 ...... 182 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:227:22: 168 | call iread(5,version,1) | 2 ...... 227 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:230:22: 168 | call iread(5,version,1) | 2 ...... 230 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:248:28: 170 | call dread(5,unita,9) | 2 ...... 248 | call dread(5,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:310:26: 180 | call dwrite(6,unita,9) | 2 ...... 310 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:463:19: 168 | call iread(5,version,1) | 2 ...... 463 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:466:19: 168 | call iread(5,version,1) | 2 ...... 466 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:419:19: 168 | call iread(5,version,1) | 2 ...... 419 | call iread(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:422:19: 168 | call iread(5,version,1) | 2 ...... 422 | call iread(2,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_v_wvfnc_new.F... c_v_wvfnc_new.F:56:20: 55 | call iwrite(6,version,1) | 2 56 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:64:20: 55 | call iwrite(6,version,1) | 2 ...... 64 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:74:24: 57 | call dwrite(6,unita,9) | 2 ...... 74 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_reformat_c_wvfnc.F... pspw_reformat_c_wvfnc.F:53:19: 52 | call iread(5,version,1) | 2 53 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:56:19: 52 | call iread(5,version,1) | 2 ...... 56 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:70:20: 69 | call iwrite(6,version,1) | 2 70 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:73:20: 69 | call iwrite(6,version,1) | 2 ...... 73 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:121:24: 54 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:125:24: 71 | call dwrite(6,unita,9) | 2 ...... 125 | call dwrite(6,dcpl_mb(cfull_out(1)),2*nfft3d_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:200:19: 52 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:203:19: 52 | call iread(5,version,1) | 2 ...... 203 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:217:20: 69 | call iwrite(6,version,1) | 2 ...... 217 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:220:20: 69 | call iwrite(6,version,1) | 2 ...... 220 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:348:19: 52 | call iread(5,version,1) | 2 ...... 348 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:351:19: 52 | call iread(5,version,1) | 2 ...... 351 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:365:20: 69 | call iwrite(6,version,1) | 2 ...... 365 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:368:20: 69 | call iwrite(6,version,1) | 2 ...... 368 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Making all in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making all in cpsp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Compiling cpsp.F... cpsp.F:1954:22: 1952 | call iread(5,psp_type,1) | 2 1953 | call iread(5,version,1) 1954 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1957:22: 1955 | call dread(5,unita,9) | 2 1956 | call cread(5,atom,2) 1957 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1958:22: 1955 | call dread(5,unita,9) | 2 ...... 1958 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1967:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1967 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1968:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1968 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1969:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1969 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1982:22: 1955 | call dread(5,unita,9) | 2 ...... 1982 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2022:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2022 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2034:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2034 | call Parallel_Brdcst_values(MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2036:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2036 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2048:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2048 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2049:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2049 | call Parallel_Brdcst_ivalues(MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2050:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2050 | call Parallel_Brdcst_ivalues(MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2061:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2061 | call Parallel_Brdcst_values(MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:113:37: 113 | call ycopy(npsp*npack0,0.0d0,0,dbl_mb(vl(1)),1) | 1 ...... 1390 | call ycopy(2*nn*nprj,0.0d0,0,zsw2,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:857:48: 771 | call C3dB_Vector_Sumall((3*ne(1)),dbl_mb(sum(1))) | 2 ...... 857 | call C3dB_Vector_SumAll((2*nn*nproj),dcpl_mb(zsw1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:964:32: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:964:50: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:1566:23: 884 | > dbl_mb(psi2_shift), npack1) | 2 ...... 1566 | > orb2, npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:736:72: 736 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:735:72: 735 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:734:72: 734 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:1106:72: 1106 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:1105:72: 1105 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:1104:72: 1104 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:1810:72: 1810 | if (occ1_tag.gt.0) occ_shift = occ1_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1609:33: 1609 | integer occ1_tag,occ1_shift,occ_shift | ^ note: 'occ1_shift' was declared here Compiling cpsp_relativistic.F... cpsp_relativistic.F:542:22: 335 | > orb2, npack1) | 2 ...... 542 | > dbl_mb(psi2_shift), npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:584:48: 294 | call C3dB_Vector_SumAll((2*nproj),dcpl_mb(zsw1u(1))) | 2 ...... 584 | call C3dB_Vector_Sumall(3*(nn),dbl_mb(sum(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:1168:34: 512 | > dbl_mb(psi1_shift), | 2 ...... 1168 | > psi1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:1394:15: 556 | > dbl_mb(psi_shift), | 2 ...... 1394 | > psi(pshftu), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:572:72: 572 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp_relativistic.F:571:72: 571 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:570:72: 570 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:839:72: 839 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp_relativistic.F:838:72: 838 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:837:72: 837 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here Compiling cpsp_projector.F... Compiling cpsp_stress.F... cpsp_stress.F:587:22: 586 | call iread(5,version,1) | 2 587 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:615:49: 605 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 615 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:249:56: 249 | integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] Compiling c_semicore.F... c_semicore.F:459:32: 436 | call ycopy(nfft3d,dbl_mb(c_G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 459 | call ycopy(nfft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_semicore_force.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Making all in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Compiling cke.F... cke.F:236:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 236 | > orb1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:237:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 237 | > orb2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:559:72: 559 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) cke.F:566:30: 460 | call Cram_cc_dot(nbq,dbl_mb(psi_shift), | 2 ...... 566 | call Cram_cc_dot(nbq,psi(1,n),psi(1,n),x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:594:72: 594 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a cke.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Making all in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Compiling c_coulomb.F... Compiling c_coulomb_screened.F... c_coulomb_screened.F:190:32: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 190 | call ycopy(nfft3d,0.0d0,0,dbl_mb(glr(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_coulomb_screened.F:577:24: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 577 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_coulomb_screened.F:609:27: 259 | call C3dB_rc_fft3f(1,dcpl_mb(gk(1))) | 2 ...... 609 | call C3dB_rc_fft3f(1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Making all in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Compiling c_electron.F... c_electron.F:1893:25: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1893:42: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1902:35: 1874 | call C3dB_r_SMul1(1,scal2,dn) | 2 ...... 1902 | call C3dB_r_SMul1(1,0.5d0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:320:28: 320 | call Cram_c_unpack(nb,dcpl_mb(tmp_r(1))) | 1 ...... 1767 | call Cram_c_unpack(nb, dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:321:31: 321 | call C3dB_cr_pfft3b(1,nb,dcpl_mb(tmp_r(1))) | 1 ...... 1769 | call C3dB_cr_pfft3b(1,nb,dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:328:20: 328 | > orb, | 1 ...... 1538 | > dbl_mb(psik_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:329:20: 329 | > dcpl_mb(tmp_r(1)), | 1 ...... 1539 | > dbl_mb(psir_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:330:20: 330 | > Horb) | 1 ...... 1540 | > dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:331:36: 331 | call Cram_c_SMul1(nb,(-1.0d0),Horb) | 1 ...... 1545 | call Cram_c_SMul1(nb,(-1.0d0),dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:1352:72: 1352 | call print_hml_tmp(ne(1),dbl_mb(hml_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:2111:26: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:2111:45: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_H.F... cpsi_H.F:173:31: 173 | > dbl_mb(Hpsi_shift)) | 1 ...... 454 | > Horb_k) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:326:29: 148 | > call C3dB_bb_Sum2(1,dbl_mb(Hpsir_shift),dcpl_mb(vpsi(1))) | 2 ...... 326 | > call C3dB_bb_Sum2(1,dcpl_mb(Horb_r(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_H.F:553:31: 437 | > orb_r, | 2 ...... 553 | > dbl_mb(psi_shift), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:154:72: 154 | if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 | ^ Warning: 'hpsir_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsi_H.F:33:46: 33 | integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 | ^ note: 'hpsir_shift' was declared here make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a c_electron.o cpsi_H.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Making all in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Compiling cpsi.F... cpsi.F:1431:72: 1431 | call c_electron_run00(nb,psi2_tag) | 1 Warning: More actual than formal arguments in procedure call at (1) cpsi.F:4070:33: 203 | > dbl_mb(rho1(1)),1) | 2 ...... 4070 | call ycopy(2*isize,0.0d0,0,H,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi.F:4247:45: 4155 | call K1dB_Vector_SumAll(2*isize,H) | 2 ...... 4247 | call K1dB_Vector_SumAll(ne(1)+ne(2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi.F:4325:50: 3204 | > mt_log,1,psi_nogrid)) | 2 ...... 4325 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling c_geodesic.F... c_geodesic.F:928:25: 402 | > dbl_mb(ynewshift)) | 2 ...... 928 | > Ynew(1+(nb-1)*nbshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1018:25: 805 | > dbl_mb(tGshift),npack1, | 2 ...... 1018 | > tG(1+(nb-1)*nbshift),npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1507:30: 392 | > dbl_mb(vtshift), | 2 ...... 1507 | > dcpl_mb(Bdag), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1523:30: 1421 | > dbl_mb(cpsi_data_get_allptr(Vt_tag)), | 2 ...... 1523 | > dcpl_mb(tmp2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1668:72: 1668 | denergy = denergy + denergyB | ^ Warning: 'denergy' is used uninitialized [-Wuninitialized] c_geodesic.F:1594:21: 1594 | real*8 denergy,denergyB,denergyA,denergyC,denergyBdag | ^ note: 'denergy' was declared here Compiling c_geodesic2.F... Compiling cpsi_lmbda.F... Compiling cpsi_lmbda2.F... cpsi_lmbda2.F:79:72: 79 | call cpsi_gen_UD(ms,nb,tmp(Bs),tmp(D)) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) cpsi_lmbda2.F:85:72: 85 | > failed) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) Compiling cpsi_KS.F... cpsi_KS.F:3326:33: 3324 | > dcpl_mb(r1(1))) | 2 3325 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(j-1)*nshift), 3326 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3327:33: 3323 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(i-1)*nshift), | 2 ...... 3327 | call Cram_c_Copy(nb,dcpl_mb(r1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3049:29: 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 ...... 3049 | call Cram_cc_dot(nb,dbl_mb(psi_ptr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3084:31: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3084 | > dcpl_mb(t0(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3241:25: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3241 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1728:72: 1728 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1733:20: 1733 | > dbl_mb(psi_ptr), | 1 ...... 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1748:36: 1748 | call Cram_c_SMul1(nb,sum,dbl_mb(psi_ptr)) | 1 ...... 2745 | call Cram_c_SMul1(nb,sum,dcpl_mb(g(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1622:72: 1622 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1202:24: 1202 | > tau_t) | 1 ...... 3238 | > dbl_mb(psi_ptr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:542:72: 542 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:618:72: 618 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:707:72: 707 | call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2679:72: 2679 | call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2700:72: 2700 | call cpsi_corrector_orb(nb,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'orb' at (1); passed REAL(8) to COMPLEX(8) Compiling BGrsm.F... BGrsm.F:113:34: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 113 | call ycopy(nsize,0.0d0,0,dbl_mb(a_shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). BGrsm.F:138:23: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 138 | call ycopy(nsize,A,1,C,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_spin2.F... Compiling c_check.F... Compiling cpsi_read.F... cpsi_read.F:102:22: 101 | call iread(5,version,1) | 2 102 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:105:22: 101 | call iread(5,version,1) | 2 ...... 105 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:115:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 114 | msglen = 3 115 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:121:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 121 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:272:48: 209 | call cpsi_data_add(psi2_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 272 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_read.F:403:22: 101 | call iread(5,version,1) | 2 ...... 403 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:406:22: 101 | call iread(5,version,1) | 2 ...... 406 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:415:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 415 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:421:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 421 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:649:22: 101 | call iread(5,version,1) | 2 ...... 649 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:652:22: 101 | call iread(5,version,1) | 2 ...... 652 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:662:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 661 | msglen = 3 662 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:668:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 668 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_write.F... cpsi_write.F:108:26: 107 | call iwrite(6,version,1) | 2 108 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:117:26: 107 | call iwrite(6,version,1) | 2 ...... 117 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:310:26: 107 | call iwrite(6,version,1) | 2 ...... 310 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:319:26: 107 | call iwrite(6,version,1) | 2 ...... 319 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:449:23: 107 | call iwrite(6,version,1) | 2 ...... 449 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:458:23: 107 | call iwrite(6,version,1) | 2 ...... 458 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:462:24: 107 | call iwrite(6,version,1) | 2 ...... 462 | call iwrite(37,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:465:24: 107 | call iwrite(6,version,1) | 2 ...... 465 | call iwrite(37,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:589:23: 107 | call iwrite(6,version,1) | 2 ...... 589 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:598:23: 107 | call iwrite(6,version,1) | 2 ...... 598 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_read.F... crho_read.F:87:25: 86 | call iread(5,version,1) | 2 87 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) crho_read.F:110:56: 101 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 110 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_write.F... crho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_new.F... Compiling v_cpsi_new.F... Compiling v_cpsi_read.F... v_cpsi_read.F:90:22: 89 | call iread(5,version,1) | 2 90 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:93:22: 89 | call iread(5,version,1) | 2 ...... 93 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:103:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 102 | msglen = 3 103 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:109:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 109 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:203:50: 185 | call cpsi_data_add(psi0_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 203 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling v_cpsi_write.F... v_cpsi_write.F:92:23: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_write.F:101:23: 91 | call iwrite(6,version,1) | 2 ...... 101 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_rho_symmetrizer.F... Compiling cpsi_printeigall.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Making all in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Compiling band_hfx.F... band_hfx.F:53:37: 41 | if (.not.btdb_get(rtdb,'band:HFX',mt_log,1,hfx_on)) | 2 ...... 53 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:588:37: 309 | call ycopy(4*nbrillq_max,0.0d0,0,dbl_mb(kw_rep1(1)),1) | 2 ...... 588 | call ycopy(2*nfft3d,0.0d0,0,Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_hfx.F:599:72: 599 | > orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_hfx.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Making all in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Compiling band_Grsm_list.F... Compiling band_lmbfgs.F... band_lmbfgs.F:86:32: 30 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 86 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:88:40: 31 | call band_Grsm_list_store(2*m-1,g) | 2 ...... 88 | call band_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:100:25: 95 | > dbl_mb(ss(1)),npack1, | 2 ...... 100 | > s,npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_lmbfgs.F:103:35: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:103:51: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Making all in borbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' Compiling borbs.F... borbs.F:447:22: 446 | call iread(5,version,1) | 2 447 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:452:22: 448 | call dread(5,unita,9) | 2 ...... 452 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:453:22: 448 | call dread(5,unita,9) | 2 ...... 453 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:494:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 494 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:501:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 501 | call Parallel_Brdcst_ivalues(MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:509:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 509 | call Parallel_Brdcst_values(MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:510:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 510 | call Parallel_Brdcst_values(MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:612:72: 612 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling borb_projector.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a borbs.o borb_projector.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making all in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Compiling band_dplot_input.F... band_dplot_input.F:304:42: 82 | value = rtdb_put(rtdb,'band_dplot:count',mt_int,1,count) | 2 ...... 304 | > mt_dbl,3,o) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling band_dplot.F... band_dplot.F:661:49: 626 | call K1dB_Vector_SumAll(nfft3d,dbl_mb(rho(1))) | 2 ...... 661 | call K1dB_Vector_SumAll(2*nfft3d,dcpl_mb(orb(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_dplot.F:1018:30: 433 | if (btdb_get(rtdb,'band_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 1018 | > mt_dbl,1,position_tolerance)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_dplot.F:895:30: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:895:38: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:928:36: 928 | call yscal(ispin*nfft3d,scal2,dn,1) | 1 ...... 1766 | call yscal(2*nfft3d,scal1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling band_dplot_iteration.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Making all in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' Compiling band_analysis.F... band_analysis.F:161:40: 138 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 161 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_analysis.F:312:44: 310 | call ycopy(nemax,0.0d0,0,dbl_mb(eig(1)),1) | 2 311 | call ycopy(nemax,0.0d0,0,dbl_mb(sum(1)),1) 312 | call ycopy(2*36*nion*nemax,0.0d0,0,dcpl_mb(a(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:333:49: 331 | call K1dB_Vector_SumAll(nemax,dbl_mb(eig(1))) | 2 332 | call K1dB_Vector_SumAll(nemax,dbl_mb(sum(1))) 333 | call K1dB_Vector_SumAll(2*36*nion*nemax,dcpl_mb(a(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:341:63: 341 | WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), | ^ Warning: 'sum_shift' may be used uninitialized [-Wmaybe-uninitialized] band_analysis.F:52:31: 52 | integer A_shift,sum_shift,psi_shift,eig_shift | ^ note: 'sum_shift' was declared here Compiling orb_pop_borb.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' Making all in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' Compiling band_APC.F... band_APC.F:55:52: 51 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 55 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling band_atom_Efield.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_APC.o band_atom_Efield.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making all in ofpw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' Compiling ofpw_energy.F... Compiling task_ofpw.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' Making all in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Compiling ofpw_minimizer.F... ofpw_minimizer.F:503:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 503 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:514:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 514 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ofpw_minimizer.F:517:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 517 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:508:72: 508 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] ofpw_minimizer.F:63:25: 63 | integer i,k,ia,nion,minimizer,mapping,mapping1d | ^ note: 'nion' was declared here Compiling ofpw_cgsd_energy.F... Compiling ofpw_cgminimize.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Making all in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Compiling ofpwsd.F... Compiling inner_loop_ofpw.F... inner_loop_ofpw.F:160:32: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 160 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(v_wgc(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). inner_loop_ofpw.F:196:34: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 196 | call ycopy(2*npack1*ispin,psi2,1,psi1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:238:44: 211 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 238 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:249:36: 234 | call D3dB_r_SMul(1,scal1,dbl_mb(rho(1)),dcpl_mb(tmp1(1))) | 2 ...... 249 | call D3dB_r_SMul(1,0.5d0,dcpl_mb(tmp1(1)),dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:255:27: 233 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 255 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling chi_lmbda.f... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Making all in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' Making all in chi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Compiling chi_read.F... chi_read.F:73:22: 72 | call iread(5,version,1) | 2 73 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:76:22: 72 | call iread(5,version,1) | 2 ...... 76 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:84:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 83 | msglen = 3 84 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:90:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 90 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_write.F... chi_write.F:86:23: 85 | call iwrite(6,version,1) | 2 86 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_write.F:89:23: 85 | call iwrite(6,version,1) | 2 ...... 89 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_new.F... Compiling chi_expander.F... chi_expander.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:72:20: 71 | call iwrite(6,version,1) | 2 72 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:75:20: 71 | call iwrite(6,version,1) | 2 ...... 75 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:100:23: 61 | call dread(5,unita,9) | 2 ...... 100 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). chi_expander.F:106:24: 73 | call dwrite(6,unita,9) | 2 ...... 106 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Making all in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Compiling chi_H.F... Compiling chi_Hv4.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Making all in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Compiling v_thomasfermi.F... make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a v_thomasfermi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Making all in WGC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' Compiling wgc.F... wgc.F:345:51: 230 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1))) | 2 ...... 345 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:346:33: 231 | call D3dB_r_notZero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 346 | call D3dB_r_notZero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:347:37: 232 | call D3dB_r_Power1(1,wgc_tune1,dbl_mb(rho1(1))) | 2 ...... 347 | call D3dB_r_Power1(1,wgc_tune1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:348:30: 233 | call D3dB_r_Zero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 348 | call D3dB_r_Zero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:350:30: 235 | call D3dB_rc_pfft3f(1,0,dbl_mb(rho1(1))) | 2 ...... 350 | call D3dB_rc_pfft3f(1,0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:351:25: 236 | call Pack_c_pack(0,dbl_mb(rho1(1))) | 2 ...... 351 | call Pack_c_pack(0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a wgc.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' Making libraries in fft make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' Making all in pfft1.0 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making all in fftpack make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Compiling dcfftb.F... Compiling scfftb.F... Compiling dcfftf.F... Compiling scfftf.F... Compiling dcffti.F... Compiling scffti.F... Compiling dcftb1.F... Compiling scftb1.F... Compiling dcftf1.F... Compiling scftf1.F... Compiling dcfti1.F... dcfti1.F:19:72: 19 | if (j.gt.4) ntry = ntry + 2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] dcfti1.F:18:22: 18 | if (j.le.4) ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling scfti1.F... scfti1.F:14:72: 14 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] scfti1.F:12:10: 12 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dpssb.F... Compiling spssb.F... Compiling dpssb2.F... dpssb2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2+wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2-wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb2.F... Compiling dpssb3.F... dpssb3.F:46:41: 33 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:47:43: 33 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:48:41: 33 | do 103 i=2,ido,2 | 2 ...... 48 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:49:43: 33 | do 103 i=2,ido,2 | 2 ...... 49 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb3.F... Compiling dpssb4.F... dpssb4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2-wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2+wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3-wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3+wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4-wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4+wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb4.F... Compiling dpssb5.F... dpssb5.F:81:43: 54 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:82:41: 54 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:83:43: 54 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:84:41: 54 | do 103 i=2,ido,2 | 2 ...... 84 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:85:43: 54 | do 103 i=2,ido,2 | 2 ...... 85 | ch(i-1,k,4) = wa3(i-1)*dr4-wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:86:41: 54 | do 103 i=2,ido,2 | 2 ...... 86 | ch(i,k,4) = wa3(i-1)*di4+wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:87:43: 54 | do 103 i=2,ido,2 | 2 ...... 87 | ch(i-1,k,5) = wa4(i-1)*dr5-wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:88:41: 54 | do 103 i=2,ido,2 | 2 ...... 88 | ch(i,k,5) = wa4(i-1)*di5+wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb5.F... Compiling dpssf.F... Compiling spssf.F... Compiling dpssf2.F... dpssf2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2-wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2+wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf2.F... Compiling dpssf3.F... dpssf3.F:44:41: 31 | do 103 i=2,ido,2 | 2 ...... 44 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:45:43: 31 | do 103 i=2,ido,2 | 2 ...... 45 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:46:41: 31 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:47:43: 31 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf3.F... Compiling dpssf4.F... dpssf4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2+wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2-wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3+wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3-wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4+wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4-wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf4.F... Compiling dpssf5.F... dpssf5.F:76:43: 49 | do 103 i=2,ido,2 | 2 ...... 76 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:77:41: 49 | do 103 i=2,ido,2 | 2 ...... 77 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:78:43: 49 | do 103 i=2,ido,2 | 2 ...... 78 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:79:41: 49 | do 103 i=2,ido,2 | 2 ...... 79 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:80:43: 49 | do 103 i=2,ido,2 | 2 ...... 80 | ch(i-1,k,4) = wa3(i-1)*dr4+wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:81:41: 49 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i,k,4) = wa3(i-1)*di4-wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:82:43: 49 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i-1,k,5) = wa4(i-1)*dr5+wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:83:41: 49 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i,k,5) = wa4(i-1)*di5-wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf5.F... Compiling drfftb.F... Compiling srfftb.F... Compiling drfftf.F... Compiling srfftf.F... Compiling drffti.F... Compiling srffti.F... Compiling drftb1.F... Compiling srftb1.F... Compiling drftf1.F... Compiling srftf1.F... Compiling drfti1.F... Compiling srfti1.F... srfti1.F:16:72: 16 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] srfti1.F:14:10: 14 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dradb2.F... dradb2.F:33:44: 28 | do i = 1, (ido - 1)/2 | 2 ...... 33 | ch(i*2,k,2) = wa1(i*2-1)*tr2 - wa1(i*2)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb2.F:34:46: 28 | do i = 1, (ido - 1)/2 | 2 ...... 34 | ch(1+i*2,k,2) = wa1(i*2-1)*ti2 + wa1(i*2)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb2.F... Compiling dradb3.F... dradb3.F:46:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:47:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:48:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:49:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 49 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb3.F... Compiling dradb4.F... dradb4.F:54:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 54 | ch(i*2,k,2) = wa1(i*2-1)*cr2 - wa1(i*2)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:55:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 55 | ch(1+i*2,k,2) = wa1(i*2-1)*ci2 + wa1(i*2)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:56:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 56 | ch(i*2,k,3) = wa2(i*2-1)*cr3 - wa2(i*2)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:57:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 57 | ch(1+i*2,k,3) = wa2(i*2-1)*ci3 + wa2(i*2)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:58:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 58 | ch(i*2,k,4) = wa3(i*2-1)*cr4 - wa3(i*2)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:59:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 59 | ch(1+i*2,k,4) = wa3(i*2-1)*ci4 + wa3(i*2)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb4.F... Compiling dradb5.F... dradb5.F:71:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 71 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:72:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 72 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:73:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 73 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:74:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 74 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:75:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 75 | ch(i*2,k,4) = wa3(i*2-1)*dr4 - wa3(i*2)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:76:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 76 | ch(1+i*2,k,4) = wa3(i*2-1)*di4 + wa3(i*2)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:77:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 77 | ch(i*2,k,5) = wa4(i*2-1)*dr5 - wa4(i*2)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:78:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 78 | ch(1+i*2,k,5) = wa4(i*2-1)*di5 + wa4(i*2)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb5.F... Compiling dradbg.F... Compiling sradbg.F... Compiling dradf2.F... dradf2.F:29:44: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf2.F:30:46: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 30 | ti2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf2.F... Compiling dradf3.F... dradf3.F:32:44: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:33:46: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 33 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:34:44: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 34 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:35:46: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 35 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf3.F... Compiling dradf4.F... dradf4.F:36:44: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:37:46: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 37 | ci2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:38:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 38 | cr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:39:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 39 | ci3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:40:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 40 | cr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:41:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 41 | ci4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf4.F... Compiling dradf5.F... dradf5.F:41:44: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:42:46: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 42 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:43:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 43 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:44:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 44 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:45:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 45 | dr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:46:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | di4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:47:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | dr5 = wa4(i*2-1)*cc(i*2,k,5) + wa4(i*2)*cc(1+i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:48:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | di5 = wa4(i*2-1)*cc(1+i*2,k,5) - wa4(i*2)*cc(i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf5.F... Compiling dradfg.F... Compiling sradfg.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Making all in pfft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' Compiling blktrn.F... Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... Compiling mapchk.F... Compiling prlst2.F... Compiling xstop.F... Compiling pairup.F... Compiling gexit.F... Compiling igdiff.F... Compiling lstcnt.F... Compiling lstind.F... Compiling pfft.F... Compiling pfft3d.F... Compiling prfft3.F... Compiling prfft.F... Compiling prffti.F... Compiling chk3d.F... Compiling mfftc1.F... Compiling mfftr1.F... Compiling mcfftr.F... Compiling mrfftr.F... Compiling pfft1i.F... Compiling pfft1.F... Compiling wrkspc2.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making all in pfftwrap make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' Compiling nwfft3d.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a nwfft3d.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' Making libraries in python make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' Compiling python_input.F... Compiling task_python.c... task_python.c: In function 'task_python_': task_python.c:43:4: warning: 'Py_SetProgramName' is deprecated [-Wdeprecated-declarations] 43 | Py_SetProgramName(nwprogram); | ^~~~~~~~~~~~~~~~~ In file included from /usr/include/python3.11/Python.h:94, from task_python.c:1: /usr/include/python3.11/pylifecycle.h:37:38: note: declared here 37 | Py_DEPRECATED(3.11) PyAPI_FUNC(void) Py_SetProgramName(const wchar_t *); | ^~~~~~~~~~~~~~~~~ Compiling nwchem_wrap.c... nwchem_wrap.c:1800:18: warning: 'error_out' defined but not used [-Wunused-function] 1800 | static PyObject* error_out(PyObject *m) { | ^~~~~~~~~ Compiling nw_inp_from_string.c... nw_inp_from_string.c: In function 'nw_inp_from_string': nw_inp_from_string.c:33:10: warning: unused variable 'fstring' [-Wunused-variable] 33 | char fstring[255]; | ^~~~~~~ make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' Making libraries in analyz make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' Compiling ana_angle.F... Compiling ana_atrad.F... Compiling ana_bond.F... Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... ana_define.F:90:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 90 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ana_define.F:160:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 160 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ana_diel.F... Compiling ana_esppt.F... Compiling ana_finish.F... Compiling ana_groups.F... ana_groups.F:431:72: 431 | xa(1)=xa(1)+x(ia,1) | ^ Warning: 'xa[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[0]' was declared here ana_groups.F:444:72: 444 | xb(3)=xb(3)+x(ia,3) | ^ Warning: 'xb[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[2]' was declared here ana_groups.F:442:72: 442 | xb(1)=xb(1)+x(ia,1) | ^ Warning: 'xb[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[0]' was declared here ana_groups.F:432:72: 432 | xa(2)=xa(2)+x(ia,2) | ^ Warning: 'xa[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[1]' was declared here ana_groups.F:433:72: 433 | xa(3)=xa(3)+x(ia,3) | ^ Warning: 'xa[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[2]' was declared here ana_groups.F:443:72: 443 | xb(2)=xb(2)+x(ia,2) | ^ Warning: 'xb[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[1]' was declared here Compiling ana_hbond.F... Compiling ana_index.F... Compiling ana_init.F... Compiling ana_inirms.F... Compiling ana_initx.F... Compiling ana_input.F... Compiling ana_pltgrd.F... ana_pltgrd.F:159:29: 157 | call ga_brdcst(mag_d01,x,3*nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 158 | call ga_brdcst(mag_d02,xmin,3*ma_sizeof(mt_dbl,1,mt_byte),0) 159 | call ga_brdcst(mag_d03,ngrd,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling ana_rama.F... Compiling ana_rdhdr.F... Compiling ana_rdf.F... Compiling ana_rdfram.F... ana_rdfram.F:194:29: 193 | call ga_brdcst(mag_d03,succes,ma_sizeof(mt_log,1,mt_byte),0) | 2 194 | call ga_brdcst(mag_d04,ix,msa*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ana_rdref.F... Compiling ana_rdtop.F... ana_rdtop.F:165:29: 163 | call ga_brdcst(mag_d02,ltop,ma_sizeof(mt_log,1,mt_byte),0) | 2 164 | if(ltop) then 165 | call ga_brdcst(mag_d01,qs,nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling ana_report.F... ana_report.F:135:58: 135 | + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) | ^ Warning: 'timf' may be used uninitialized [-Wmaybe-uninitialized] ana_report.F:71:40: 71 | real*8 ctime,ptime,dtime,timi,timf | ^ note: 'timf' was declared here Compiling ana_rmsdev.F... Compiling ana_rtdbin.F... Compiling ana_select.F... Compiling ana_sizref.F... Compiling ana_tag.F... ana_tag.F:124:29: 123 | call ga_brdcst(mag_d06,byte_mb(i_tag),48*nsa,0) | 2 124 | call ga_brdcst(mag_d06,dbl_mb(i_tag),16*nsa,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling ana_task.F... ana_task.F:1004:72: 1004 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1234:72: 1234 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1303:72: 1303 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ana_torsion.F... Compiling ana_wtfram.F... Compiling ana_wthdr.F... Compiling ana_wrtpdb.F... Compiling ana_wrtxyz.F... Compiling ana_xaver.F... Compiling ana_covar.F... Compiling analyz.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' Making libraries in nwmd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' Compiling nwmd.F... Compiling md_start.F... md_start.F:1986:7: 1717 | call md_abort('Unable to read restart file in md_rest ',me) | 2 ...... 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(24)/INTEGER(8)). md_start.F:1986:72: 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: More actual than formal arguments in procedure call at (1) md_start.F:954:52: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 954 | if(.not.rtdb_get(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_start.F:986:50: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 986 | if(.not.rtdb_get(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1323:44: 1323 | if(nserie.gt.0) call md_rdrest(lfnrst,filrst) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_start.F:1330:17-30: 1330 | nbytes=loc(inp_ptr)-loc(ptol) | 2 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1333:29: 1331 | call ga_brdcst(mrg_d36,ptol,nbytes,0) | 2 1332 | nbytes=7*ma_sizeof(mt_int,1,mt_byte) 1333 | call ga_brdcst(mrg_d37,npx,nbytes,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_start.F:319:72: 319 | root=filnam(1:ibl)//gid | ^ Warning: 'ibl' may be used uninitialized [-Wmaybe-uninitialized] md_start.F:12:21: 12 | integer iun,ibl | ^ note: 'ibl' was declared here Compiling md_input.F... md_input.F:1849:52: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1849 | if(.not.rtdb_put(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_input.F:1881:50: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1881 | if(.not.rtdb_put(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_input.F:1889:54: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1889 | if(.not.rtdb_put(irtdb,'md:itime',mt_int,mtimes,itime)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_main.F... md_main.F:1608:57: 1608 | if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1310:28: 1310 | call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:2076:27: 2076 | call ga_dgop(mrg_d45,dmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:854:27: 854 | call ga_dgop(mrg_d08,fnorm1,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:898:27: 898 | call ga_dgop(mrg_d09,ypa,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:899:27: 899 | call ga_dgop(mrg_d10,pnorm,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1002:27: 1002 | call ga_dgop(mrg_d11,ypb,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1070:27: 1070 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1126:27: 1126 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1160:27: 1160 | call ga_dgop(mrg_d13,fnorm2,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1203:28: 1203 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:647:28: 647 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:3071:39: 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 ...... 3071 | if(np.gt.1) call ga_dgop(mrg_d49,mm,msm,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_main.F:2699:39: 2699 | if(np.gt.1) call ga_dgop(mrg_d06,pmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling md_finish.F... Compiling prp_init.F... Compiling prp_main.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' Making libraries in cafe make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' Compiling cf_d.F... Compiling cf_fp.F... cf_f.fh:1984:72: 1984 | qsa2(i)=chg(isq2(i),1,lseq(isgm(i))) | ^ Warning: 'MEM[(integer(kind=8)[0:D.9092] *)_2236][_31]' may be used uninitialized [-Wmaybe-uninitialized] Compiling cf_f.F... cf_f.fh:4668:13: 4668 | elseif(isrx.lt.0) then | ^ Warning: 'isrx' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4551:57: 4551 | integer i,j,ist,isa,jsa,isf,jsf,isad,istt,jstt,isrx | ^ note: 'isrx' was declared here Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_forcep.F... Compiling cf_hopping.F... Compiling cf_induce.F... Compiling cf_init.F... cf_init.F:520:28: 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 519 | call ga_brdcst(mcf_61,jpmf,4*numpmf*npmfa*lenint,0) 520 | call ga_brdcst(mcf_62,rpmf,18*numpmf*lendbl,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_init.F:267:28: 267 | call ga_brdcst(mcf_55,ndrs,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:335:28: 335 | call ga_brdcst(mcf_75,nbias,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:2133:72: 2133 | rlam(1)=one-rlam(1) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2135:72: 2135 | rlam(3)=one-rlam(3) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here Compiling cf_list.F... Compiling cf_main.F... cf_main.F:3457:29: 2990 | call ga_brdcst(mrg_d47,itarget,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 3457 | call ga_brdcst(mrg_d47,fact,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2066:58: 1714 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2066 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2067:21: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2067:51: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2068:7: 1716 | + dbl_mb(i_sti),lseq) | 2 ...... 2068 | + int_mb(i_lseq)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cf_main.F:2075:7: 1754 | call cf_fsh(1,it,1,3,ip,rpmf(1,1,i),rv,3,4, | 2 ...... 2075 | + dbl_mb(i_rub(2)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2076:12: 1755 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2076 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:2085:7: 1796 | call cf_fsd(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2085:21: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2085:51: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2093:7: 1802 | call cf_fso(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2093:21: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2093:51: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:1395:26: 1395 | call ga_dgop(mcf_44,fnorm,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1396:26: 1396 | call ga_dgop(mcf_45,fmax,1,'max') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:128:26: 128 | call ga_dgop(mcf_34,wbox,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1005:26: 1005 | call ga_dgop(mcf_40,ewk,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_pairs.F... Compiling cf_pbc.F... Compiling cf_rdgeom.F... cf_rdgeom.F:162:28: 131 | call ga_brdcst(mcf_01,idata,16*numbi,0) | 2 ...... 162 | call ga_brdcst(mcf_03,dbl_mb(i_mas),6*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cf_shake.F... Compiling cf_grid.F... Compiling cf_rdtop.F... cf_rdtop.F:356:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 356 | call ga_brdcst(mcf_03,dbl_mb(i_mas),mset*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_rdtop.F:472:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 472 | call ga_brdcst(mcf_69,iffld,numbi,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_uhop.F... Compiling pme_init.F... Compiling pme_fft.F... Compiling pme_grid.F... pme_grid.F:522:49: 361 | + jlsl+maxy-1,grid(minx,miny,k),mgrx) | 2 ...... 522 | call ga_get(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:49: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:57: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:329:7: 329 | + grid(1,1),mgrx) | 1 ...... 486 | call ga_put(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' Making libraries in space make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' Compiling sp_init.F... sp_init.F:4060:54: 4047 | call ga_put(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4060 | call ga_put(ga_w,ilw,ilw+nwmn-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4082:28: 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 4082 | call ga_brdcst(msp_13,rtemp,12*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4109:56: 4097 | call ga_get(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4109 | call ga_get(ga_w,ilw,ilw+nwmloc-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:1199:28: 1199 | call ga_brdcst(msp_28,ndums,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:3032:28: 3032 | call ga_brdcst(msp_10,npp,nbytes,0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2091:26: 2091 | call ga_igop(msp_29,nrempr,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1714:38: 1714 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1871:38: 1871 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:455:38: 455 | if(np.gt.1) call ga_igop(msp_07,mbox,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:126:28: 126 | call ga_brdcst(msp_02,nsm,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2240:35: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_init.F:2240:43: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling sp_main.F... sp_main.F:3870:15: 3726 | call ga_brdcst(msp_16,nen(1,1),np*intsiz,0) | 2 ...... 3870 | + (msp_19,boxsiz,ma_sizeof(mt_dbl,3*maxbox,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:3397:7: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3397:23: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:51: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:69: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:2895:7: 2880 | + isga(ndxda+1),msa) | 2 ...... 2895 | + xs(ndxda+1,1),msa) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:2187:7: 2180 | + iwl(indexw,1),mwm,handle_iw) | 2 ...... 2187 | + xw(indexw,1,1),mwm,handle_w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:706:43: 694 | call ga_put(ga_ip,il,ih,jl,jh,ipl,mbox) | 2 ...... 706 | call ga_put(ga_w,il,ih,jl,jl+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:1986:26: 1986 | call ga_igop(msp_23,nfold,1,'+') | 1 ...... 3585 | call ga_igop(msp_14,nlst,2*npp,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a sp_init.o sp_main.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' Making libraries in drdy make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' Compiling atsym.F... Compiling drdy.F... Compiling drdy_input.F... drdy_input.F:113:55: 110 | if (.not. rtdb_put(rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 113 | if (.not. rtdb_put(rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling Input_for_drdy.F... Compiling drdy_synch.F... Compiling read_drdy_rtdb.F... Compiling rgener.F... Compiling ratoms.F... Compiling rstat.F... Compiling rpath.F... Compiling rgeom.F... Compiling rgsad.F... Compiling rphwrt.F... Compiling drdy_sort.F... Compiling react.F... Compiling potset_nwchem.F... Compiling trans.F... Compiling tranf.F... Compiling drdy_center.F... Compiling rotx.F... Compiling moiten.F... Compiling pot2.F... Compiling rotmat.F... Compiling rotg.F... Compiling rotf.F... Compiling restor.F... Compiling drdy_nwc_get.F... drdy_nwc_get.F:24:55: 16 | if (.not.rtdb_get(rtdb,'task:status', mt_log, 1, task_status)) | 2 ...... 24 | if (.not.rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling react2.F... Compiling saddle.F... Compiling setpth.F... Compiling diagf.F... Compiling pmlqsp.F... Compiling mxlneq.F... Compiling pmclqa.F... Compiling path.F... Compiling path2.F... Compiling pot1.F... Compiling euler.F... Compiling pmlqa.F... Compiling dsdt.F... Compiling rsp.F... Compiling pmcube.F... Compiling fdiag.F... Compiling potsp.F... Compiling projct.F... Compiling pythag.F... Compiling getstr.F... Compiling io.F... Compiling sumout.F... Compiling wfiles.F... Compiling nwc_gen.F... nwc_gen.F:78:59: 74 | if (.not. rtdb_get(my_rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 78 | if (.not.rtdb_get(my_rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). nwc_gen.F:89:24: 83 | call ycopy(n3,x,1,dx,1) ! temporary use of dx | 2 ...... 89 | call ycopy(3*n3,0.d0,0,velocities,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' Making libraries in vscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' Compiling vscf_input.F... vscf_input.F:75:55: 43 | if (.not. rtdb_put(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 2 ...... 75 | if (.not. rtdb_put(rtdb,'vscf:vcfct',mt_dbl,1,vcfct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling vscf.F... vscf.F:600:55: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 600 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:697:60: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 697 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:793:30: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 793 | & mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:2670:54: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 2670 | if (.not. rtdb_get(rtdb,'vscf:restart',mt_log,1,restart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vscf.F:2165:29: 2165 | CALL ga_brdcst(msg_ns3,nstart,7*ma_sizeof(mt_int,1,mt_byte), | 1 ...... 2647 | CALL ga_brdcst(msg_diagv,diag_exists, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). vscf.F:186:56: 186 | if (.not. rtdb_put(rtdb,'vscf:restart',mt_log,1,restart)) | 1 ...... 594 | if (.not.rtdb_put(rtdb,'prop:dipole',mt_int,1,0)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a vscf_input.o vscf.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' Making libraries in qmmm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' Compiling qmmm.F... Compiling task_qmmm_gradient.F... task_qmmm_gradient.F:283:50: 126 | $ numerical)) numerical = .false. | 2 ...... 283 | if(.not.rtdb_get(irtdb,"neb:ibead",mt_int,1,ibead)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_gradient.F:817:25: 198 | if (.not. rtdb_put(rtdb,'qmmm:bq_nuc_energy',mt_dbl,1,ebq)) | 2 ...... 817 | > mt_int,nact,int_mb(i_cons))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_gradient.F:389:20: 189 | call dfill(3*nfg,0,dbl_mb(i_g),1) | 2 ...... 389 | call dfill(na,0.0d0,dbl_mb(i_q),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mm_interface.F... mm_interface.F:2716:35: 2716 | call ga_dgop(msg_qmmm_forcew,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:2717:32: 2717 | call ga_dgop(msg_qmmm_nqm,ntot,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mm_interface.F:3306:34: 3306 | call ga_dgop(msg_qmmm_force,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:3967:11: 441 | call ga_brdcst(msg_qmmm_misc,mm_read_frame, | 2 ...... 3967 | > ns, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_interface.F:2873:72: 2873 | j1=(j-1)*mwa+m | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] mm_interface.F:2852:17: 2852 | integer i,j,k,m,j1,ioff | ^ note: 'j' was declared here Compiling qmmm_link.F... Compiling qmmm_data.F... qmmm_data.F:111:72: 111 | + call errquit(pname//'failed to get bqzone from mm',0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) qmmm_data.F:126:43: 33 | if(.not.rtdb_get(irtdb,'charge',mt_dbl,1,qcharge)) then | 2 ...... 126 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_data.F:127:45: 95 | if (.not.rtdb_put(irtdb,"qmmm:uqmatm",mt_dbl,1,eatoms)) | 2 ...... 127 | if (.not.rtdb_put(irtdb,tag,mt_int,1,bq_exclude)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmmm_lbfgsb.F... qmmm_lbfgsb.F:112:56: 103 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 2 ...... 112 | if (.not. rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_lbfgsb.F:322:72: 322 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_6' at (1) Compiling qmmm_utils.F... qmmm_utils.F:105:72: 105 | do i=1,im | ^ Warning: 'im' may be used uninitialized [-Wmaybe-uninitialized] qmmm_utils.F:101:16: 101 | integer im | ^ note: 'im' was declared here Compiling task_qmmm_energy.F... task_qmmm_energy.F:1051:32: 1024 | if (.not. rtdb_get(rtdb, 'qmmm:active_region', mt_log,1,oregion)) | 2 ...... 1051 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_energy.F:604:54: 604 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 1 ...... 1099 | if (.not. rtdb_put(rtdb,'qmmm:energy',mt_dbl,1,energy/cau2kj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmmm_main.F... qmmm_main.F:72:54: 42 | if (.not. rtdb_get(inrtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 72 | if (.not.rtdb_get(inrtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmmm_check_forces.F... qmmm_check_forces.F:100:56: 47 | > mt_int,1,nregion)) | 2 ...... 100 | if (.not. rtdb_get(rtdb,'md:energy', mt_dbl, 1, e0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmmm_bq.F... qmmm_bq.F:66:34: 42 | > mt_dbl,3*n,c)) | 2 ...... 66 | > mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmmm_esp.F... qmmm_esp.F:182:36: 90 | if(.not.rtdb_put(rtdb,'esp:newgrd',mt_int,1,1)) | 2 ...... 182 | > mt_dbl,nqm,dbl_mb(i_q_qm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_esp.F:605:34: 69 | if(.not.rtdb_get(rtdb,'qmmm:readesp',mt_log,1,readesp)) | 2 ...... 605 | > mt_dbl,n,dbl_mb(i_epot))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmmm_cons.F... qmmm_cons.F:230:28: 89 | if (.not. rtdb_get(irtdb,'qmmm:fixsolvent',mt_log,1,fixw)) | 2 ...... 230 | + mt_int,nr,int_mb(i_ires))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmmm_geom.F... qmmm_geom.F:703:28: 703 | > 0, | 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) qmmm_geom.F:82:34: 82 | > mt_int,1,nregion)) | 1 ...... 695 | > mt_log,1,update)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_geom.F:268:39: 268 | call ga_brdcst(msg_qmmm_misc, ofile, | 1 ...... 483 | > byte_mb(i_t), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/CHARACTER(*)). qmmm_geom.F:1052:27: 243 | if(.not.rtdb_put(irtdb,'neb:custom_path',mt_log,1,custom_path)) | 2 ...... 1052 | + 3*n,dbl_mb(i_gt))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). qmmm_geom.F:1085:72: 1085 | + call errquit('qmmm: Failed to print geometry',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) Compiling qmmm_bq_data.F... qmmm_bq_data.F:66:26: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 ...... 198 | + call errquit(pname//'Failed bq_pset',0,CALC_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(32)/INTEGER(8)). qmmm_bq_data.F:66:72: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling task_qmmm_optimize.F... task_qmmm_optimize.F:173:32: 166 | > mt_dbl,1,etol)) | 2 ...... 173 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_optimize.F:687:28: 166 | > mt_dbl,1,etol)) | 2 ...... 687 | + 2,rb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_optimize.F:608:58: 608 | if (.not. rtdb_put(rtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 ...... 767 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling task_qmmm_dynamics.F... task_qmmm_dynamics.F:110:28: 102 | > mt_int,1,nregion)) | 2 ...... 110 | $ 1, oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). task_qmmm_dynamics.F:44:57: 44 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 265 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmmm_output.F... qmmm_output.F:70:43: 70 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 ...... 147 | if (.not.rtdb_get(irtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mm_utils.F... Compiling qmmm_input.F... qmmm_input.F:550:44: 550 | if (.not.rtdb_put(rtdb,tag,mt_int,1,itok)) | 1 ...... 808 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_input.F:627:28: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 ...... 831 | 998 call errquit(pname//'no token found '//token,0, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(7)/INTEGER(8)). qmmm_input.F:627:72: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling qmmm_pes.F... qmmm_pes.F:112:28: 104 | + 1,ncycles)) | 2 ...... 112 | + 2,rb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmmm_property.F... Compiling task_qmmm_fep.F... task_qmmm_fep.F:1000:58: 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 ...... 1000 | if (.not.rtdb_get(rtdb,"qmmm:trajectory_n",mt_int,3,trn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_fep.F:326:56: 326 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:60:32: 60 | > mt_int,1,nregion)) | 1 ...... 1039 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_fep.F:147:56: 147 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:828:72: 828 | tsum = taver*ns | ^ Warning: 'taver' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:791:28: 791 | double precision taver | ^ note: 'taver' was declared here task_qmmm_fep.F:903:72: 903 | de(n) = -kb_au*tav*log(fsum(n)/(in+nf0)) | ^ Warning: 'nf0' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:786:23: 786 | integer in,nf,nf0 | ^ note: 'nf0' was declared here Compiling task_qmmm_abc.F... task_qmmm_abc.F:355:34: 250 | > mt_dbl,1,eref)) then | 2 ...... 355 | $ mt_log,1,oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:369:62: 268 | > mt_dbl,1,eref)) | 2 ...... 369 | if (.not. rtdb_put(rtdb, 'qmmm:active_region', mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:119:11: 119 | > fn, | 1 ...... 295 | call ga_brdcst(msg_qmmm_misc,ostatus, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' Making libraries in qmd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' Compiling qmd_init.F... qmd_init.F:86:55: 78 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 86 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmd_driver.F... qmd_driver.F:135:55: 132 | if(.not.rtdb_get(rtdb,'qmd:cavity',mt_log,1,do_cavity)) | 2 ...... 135 | if(.not.rtdb_get(rtdb,'qmd:cavity_axis',mt_dbl,3,cavity_axis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmd_main.F... qmd_main.F:109:52: 107 | if(.not.rtdb_get(irtdb,'task:gradient',mt_dbl,3*msa,buf)) | 2 108 | + call errquit('qmd_f: rtdb_get gradient failed',0, RTDB_ERR) 109 | if(.not.rtdb_get(irtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_input.F... qmd_input.F:67:55: 62 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 67 | if (.not.rtdb_put(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmd_input.F:406:52: 400 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) then | 2 ...... 406 | if (.not.rtdb_get(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_start.F... Compiling task_qmd.F... Compiling qmd_nucl_dt2.F... Compiling qmd_nucl_dt.F... Compiling qmd_gradient.F... qmd_gradient.F:43:51: 41 | if(.not.rtdb_get(rtdb,'task:gradient',mt_dbl,3*nat,g)) | 2 42 | & call errquit(pname//'rtdb_get gradient',0,RTDB_ERR) 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_geom_store.F... Compiling qmd_thermostat.F... Compiling qmd_kinetic.F... Compiling qmd_write_trj.F... Compiling qmd_write_rst.F... Compiling qmd_ran1.F... Compiling qmd_gasdev.F... Compiling qmd_randomize.F... Compiling qmd_nucl_pos.F... Compiling qmd_nucl_vel.F... Compiling qmd_read_rst.F... Compiling qmd_gamdev.F... Compiling qmd_sumno.F... Compiling qmd_fix_momentum.F... Compiling qmd_freeze_inactive.F... Compiling qmd_cavity.F... Compiling qmd_energy.F... Compiling qmd_coup.F... Compiling qmd_move_civecs.F... Compiling qmd_elec_prop.F... Compiling qmd_tdks_enmo.F... qmd_tdks_enmo.F:302:49: 294 | if(.not. rtdb_put(rtdb,'dft:swap alpha',mt_int,2,swap)) | 2 ...... 302 | if(.not.rtdb_put(rtdb,'dft:noscf',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). qmd_tdks_enmo.F:43:51: 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,en(1))) | 1 ...... 129 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_tddft_enmo.F... qmd_tddft_enmo.F:70:50: 70 | if(.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,en(1))) | 1 ...... 147 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_namd_init.F... qmd_namd_init.F:72:49: 68 | if (.not.rtdb_get(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 72 | if (.not.rtdb_get(rtdb,'qmd:deco',mt_log,1,deco)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmd_namd_input.F... qmd_namd_input.F:46:52: 41 | if (.not.rtdb_put(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 46 | if (.not.rtdb_put(rtdb,'qmd:nstates',mt_int,1,nstates)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmd_set_den.F... Compiling qmd_coords_vels.F... Compiling qmd_civecs_read.F... Compiling qmd_property.F... Compiling qmd_ext.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o qmd_ext.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' Making libraries in etrans make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' Compiling et_calc.F... et_calc.F:632:53: 620 | if (.not. rtdb_get(rtdb, 'et:tol2e', MT_DBL, 1, tol2e)) then | 2 ...... 632 | if (.not.rtdb_get(rtdb,'et:method_2e',MT_INT,1,method_2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling et_calc_fmo.F... Compiling et_fmo_util.F... Compiling et_input.F... et_input.F:51:60: 41 | if (.not. rtdb_put(rtdb,'et:tol2e', MT_DBL, 1, tol2e)) | 2 ...... 51 | if (.not. rtdb_put(rtdb,'et:method_2e', MT_INT, 1, method_2e)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling et_det.F... Compiling et_2e.F... Compiling et_movecs_read.F... et_movecs_read.F:106:43: 102 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 ...... 106 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob_nbf, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling et_vectors_inp.F... Compiling et_fock.F... Compiling et_dens_prod.F... Compiling et_omega2_mult.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' Making libraries in tce make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' /bin/sh: line 1: bc: command not found Compiling tce_input.F... tce_input.F:149:54: 149 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 1 ...... 1807 | if (.not.rtdb_put(rtdb,'tce:lineresp',mt_log,1,lineresp)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tce_init.F... tce_init.F:142:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 142 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init.F:284:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 284 | if (.not.rtdb_put(rtdb,'tce:zlshift2',mt_dbl,2,zlshift2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:290:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 290 | if (.not.rtdb_put(rtdb,'tce:zlshift3',mt_dbl,2,zlshift3)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:315:54: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 315 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init.F:500:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 500 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:512:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 512 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:527:53: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 527 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:583:33: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 583 | & mt_log,4,restart_ignore_failure)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:593:15: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 593 | 1 save_integrals)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:604:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 604 | if (.not.rtdb_get(rtdb,'tce:save_t',mt_log,4,save_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:611:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 611 | if (.not.rtdb_get(rtdb,'tce:save_l',mt_log,4,save_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:618:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 618 | if (.not.rtdb_get(rtdb,'tce:save_tr',mt_log,8,save_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:626:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 626 | if (.not.rtdb_get(rtdb,'tce:save_lr',mt_log,8,save_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:633:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 633 | if (.not.rtdb_get(rtdb,'tce:save_x',mt_log,4,save_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:641:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 641 | if (.not.rtdb_get(rtdb,'tce:save_y',mt_log,4,save_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:677:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 677 | if (.not.rtdb_get(rtdb,'tce:read_t',mt_log,4,read_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:684:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 684 | if (.not.rtdb_get(rtdb,'tce:read_l',mt_log,4,read_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:691:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 691 | if (.not.rtdb_get(rtdb,'tce:read_tr',mt_log,8,read_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:699:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 699 | if (.not.rtdb_get(rtdb,'tce:read_lr',mt_log,8,read_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:707:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 707 | if (.not.rtdb_get(rtdb,'tce:read_x',mt_log,4,read_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:715:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 715 | if (.not.rtdb_get(rtdb,'tce:read_y',mt_log,4,read_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:890:57: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 890 | if (.not.rtdb_put(rtdb,'tce:qrot',mt_dbl,anumrot,arot)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_energy.F... tce_energy.F:605:15: 594 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 605 | 1 read_integrals)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tce_energy.F:612:17: 596 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 612 | 1 read_integrals)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling tce_energy_fragment.F... tce_energy_fragment.F:70:56: 60 | if (.not.rtdb_get(rtdb,'fragment:dipole',mt_log,1,dipole)) | 2 ...... 70 | if (.not.rtdb_get(rtdb,'fragment:radius',mt_dbl,1,radius)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' /bin/sh: line 1: bc: command not found Compiling tce_tile.F... tce_tile.F:207:50: 175 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 207 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_tile.F:357:72: 357 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile.F:68:23: 68 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_ao1e.F... Compiling tce_mo1e.F... Compiling tce_ao2e.F... Compiling tce_filename.F... Compiling createfile.F... Compiling deletefile.F... deletefile.F:22:17: 22 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling reconcilefile.F... Compiling dratoga.F... Compiling gatodra.F... Compiling gatoeaf.F... Compiling get_block.F... get_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] get_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling put_block.F... put_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] put_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling add_block.F... add_block.F:76:72: 76 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] add_block.F:29:17: 29 | integer i,j | ^ note: 'j' was declared here Compiling tce_tidy.F... Compiling sf_test.F... Compiling hbar.F... Compiling tce_mo2e.F... Compiling tce_mo1e_offset.F... Compiling tce_mo2e_offset.F... Compiling tce_e_offset.F... Compiling tce_guess_t1.F... Compiling tce_guess_t2.F... Compiling tce_zero.F... Compiling tce_print_x1.F... Compiling tce_print_x2.F... Compiling tce_residual_t1.F... Compiling tce_residual_t2.F... Compiling tce_residual_t3.F... Compiling tce_residual_t4.F... Compiling ma_pack.F... Compiling sf_print.F... Compiling ma_print_compact.F... Compiling ma_scale.F... Compiling copyfile.F... Compiling ddotfile.F... Compiling daxfile.F... Compiling daxpyfile.F... Compiling dscalfile.F... Compiling tce_aod1.F... Compiling tce_nud1.F... Compiling tce_mod1.F... Compiling tce_mod1_offset.F... Compiling sym_abelian_axis.F... Compiling tce_mod1_new.F... tce_mod1_new.F:173:24: 89 | if (debugprint) call ga_print(g_aod1) | 2 ...... 173 | call ga_print(d_mod1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_mod1_offset_new.F... Compiling tce_eom_init.F... Compiling tce_eom_tidy.F... Compiling tce_eom_xdiagon.F... Compiling tce_eom_ydiagon.F... Compiling tce_t1_offset.F... Compiling tce_t2_offset.F... Compiling tce_t3_offset.F... Compiling tce_t4_offset.F... Compiling tce_x1_offset.F... Compiling tce_x2_offset.F... Compiling tce_x3_offset.F... Compiling tce_x4_offset.F... Compiling tce_y1_offset.F... Compiling tce_y2_offset.F... Compiling tce_y3_offset.F... Compiling tce_y4_offset.F... Compiling tce_mbpt2.F... Compiling tce_restricted.F... Compiling tce_hash.F... Compiling get_hash_block.F... Compiling put_hash_block.F... Compiling add_hash_block.F... Compiling tce_residual_t3a.F... Compiling tce_t3a_offset.F... Compiling tce_x3a_offset.F... Compiling tce_cholesky.F... tce_cholesky.F:58:53: 50 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 58 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_ao2e_cholesky.F... Compiling tce_ao2e_cholesky_2d.F... Compiling tce_ao2e_cholesky_4d.F... Compiling e2_offset_2_offset.F... Compiling get_block_ind.F... get_block_ind.F:507:72: 507 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:42: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here get_block_ind.F:219:72: 219 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:33: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind.F:581:72: 581 | size4 = int_mb(k_range+g4b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:33: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind.F:517:72: 517 | ig3b=int_mb(k_b2am+g3b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:28: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind.F:582:72: 582 | size2 = int_mb(k_range+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:23: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind.F:580:72: 580 | size1 = int_mb(k_range+g1b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:18: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here Compiling get_block_ind_sf.F... get_block_ind_sf.F:435:72: 435 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:42: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here get_block_ind_sf.F:207:72: 207 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:33: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:33: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:28: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:23: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:18: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here Compiling tce_hash_ind.F... Compiling tce_mo2e_offset_intorb.F... Compiling tce_mo2e_offset_size.F... Compiling tce_mo2e_trans.F... Compiling atpart_nalength.F... Compiling tce_mo2e_zones_4a_disk_ga.F... Compiling tce_mo2e_zones_4a_disk_ga_chop.F... Compiling tce_mo2e_zones_4a_disk_2s_new.F... Compiling tce_restart.F... Compiling tce_restart_triples.F... Compiling tce_restart_quadruples.F... Compiling tce_dens_hh_offset.F... Compiling tce_dens_hp_offset.F... Compiling tce_dens_pp_offset.F... Compiling tce_dens_ph_offset.F... Compiling get_mo_rdm_hh.F... Compiling get_mo_rdm_hp.F... Compiling get_mo_rdm_ph.F... Compiling get_mo_rdm_pp.F... Compiling ao_rdm_write.F... Compiling tce_prop_start.F... Compiling tce_property.F... Compiling tce_diagnose_t1.F... Compiling tce_fourindex_driver.F... Compiling tce_fock_create.F... Compiling tce_multipole_create.F... Compiling tce_reference_check.F... tce_reference_check.F:43:53: 35 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 43 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_fourindex_cleanup.F... Compiling tce_fock_destroy.F... Compiling tce_multipole_destroy.F... Compiling tce_create_t1.F... Compiling tce_create_t2.F... Compiling tce_create_t3.F... Compiling tce_create_t4.F... Compiling tce_create_x1.F... Compiling tce_create_x2.F... Compiling tce_create_x3.F... Compiling tce_create_x4.F... Compiling tce_create_y1.F... Compiling tce_create_y2.F... Compiling tce_create_y3.F... Compiling tce_create_y4.F... Compiling tce_clone_x1.F... Compiling tce_clone_x2.F... Compiling tce_clone_x3.F... Compiling tce_clone_x4.F... Compiling tce_clone_y1.F... Compiling tce_clone_y2.F... Compiling tce_clone_y3.F... Compiling tce_clone_y4.F... Compiling tce_t1_offset_new.F... Compiling tce_t2_offset_new.F... Compiling tce_t3_offset_new.F... Compiling tce_t4_offset_new.F... Compiling tce_x1_offset_new.F... Compiling tce_x2_offset_new.F... Compiling tce_x3_offset_new.F... Compiling tce_x4_offset_new.F... Compiling tce_y1_offset_new.F... Compiling tce_y2_offset_new.F... Compiling tce_y3_offset_new.F... Compiling tce_y4_offset_new.F... Compiling tce_ccsd_driver.F... Compiling tce_ccsdt_driver.F... Compiling tce_ccsdtq_driver.F... Compiling tce_ccsd_perturbative.F... Compiling tce_ccsd_lambda_perturbative.F... Compiling tce_ccsd_lambda_driver.F... Compiling tce_ccsdt_lambda_driver.F... Compiling tce_ccsdtq_lambda_driver.F... Compiling tce_ccsd_response_driver.F... Compiling tce_ccsdt_response_driver.F... Compiling tce_ccsdtq_response_driver.F... Compiling tce_ccsd_symm_polar.F... Compiling tce_ccsdt_symm_polar.F... Compiling tce_ccsdtq_symm_polar.F... Compiling tce_ccsd_lambda_response_driver.F... Compiling tce_ccsd_asym_polar.F... Compiling tce_ccsd_hyperpolar.F... Compiling tce_ao2e_new.F... Compiling tce_mo2e_new.F... Compiling tce_tile_new.F... tce_tile_new.F:112:50: 98 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 112 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_tile_new.F:451:72: 451 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:387:23: 387 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here tce_tile_new.F:750:72: 750 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:686:23: 686 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_init_new.F... tce_init_new.F:121:51: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 121 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init_new.F:201:54: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 201 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init_new.F:335:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 335 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:349:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 349 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:353:53: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 353 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:606:21: 606 | if (rohf.and.(i.eq.2)) then | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init_new.F:42:18: 42 | logical rohf | ^ note: 'rohf' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_ao2e_disk.F... Compiling tce_mo2e_disk.F... Compiling tce_mo2e_disk_2eorb.F... Compiling tce_mo2e_incore_2eorb.F... Compiling tce_mo2e_incore_2eorb_split.F... Compiling tce_mo2e_hybrid_2eorb_split.F... tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:102:33: 102 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:41: 97 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_offset_intorb_hybrid.F... Compiling tce_mo2e_2emet3.F... Compiling tce_mo2e_2emet3_n5.F... Compiling tce_mo2e_2emet4.F... Compiling tce_mo2e_2emet4_n5.F... Compiling get_hash_block_ma.F... Compiling ccsd_energy_loc.F... Compiling cc2_energy.F... Compiling ccsd_lambda.F... Compiling ccsd_lr_alpha.F... Compiling ccsd_qr_beta.F... Compiling tce_dgeev.F... tce_dgeev.F:402:72: 402 | WORK( 1 ) = MAXWRK | ^ Warning: 'maxwrk' may be used uninitialized [-Wmaybe-uninitialized] tce_dgeev.F:124:37: 124 | $ MAXB, MAXWRK, MINWRK, NOUT | ^ note: 'maxwrk' was declared here Compiling tce_schmidt.F... Compiling tensor_read_write.F... tensor_read_write.F:129:39: 95 | k = eaf_write(unitn, offset, max_ioprocs, | 2 ...... 129 | k = eaf_write(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tensor_read_write.F:302:38: 275 | k = eaf_read(unitn, offset, max_ioprocs_r, | 2 ...... 302 | k = eaf_read(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_diis_act.F... Compiling tce_mo2e_zones_4a_disk_ga_act.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... Compiling tce_t2a_offset.F... Compiling tce_x2a_offset.F... Compiling new_ga4ind_N5.F... new_ga4ind_N5.F:2049:39: 2049 | call n4ind_transp(buf,dbl_mb(k_work1),nalength, | 1 Warning: Rank mismatch in argument 'k_4a' at (1) (rank-1 and scalar) Compiling new4ind_N5_osu.F... Compiling tce_mo2e_zones_4a_disk_ga_N5.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... Compiling tce_eom_xguess.F... Compiling tce_eom_yguess.F... Compiling ma_transpose.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' Making all in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' Making all in diis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Compiling tce_diis.F... Compiling tce_diis_init.F... Compiling tce_diis_switch.F... Compiling tce_diis_tidy.F... Compiling tce_jacobi_t1.F... Compiling tce_jacobi_t2.F... Compiling tce_jacobi_t3.F... Compiling tce_jacobi_t4.F... Compiling tce_jacobi_l1.F... Compiling tce_jacobi_l2.F... Compiling tce_jacobi_l3.F... Compiling tce_jacobi_l4.F... Compiling tce_jacobi_x1.F... Compiling tce_jacobi_x2.F... Compiling tce_jacobi_x3.F... Compiling tce_jacobi_x4.F... Compiling tce_jacobi_y1.F... Compiling tce_jacobi_y2.F... Compiling tce_jacobi_y3.F... Compiling tce_jacobi_y4.F... Compiling tce_jacobi_t3a.F... Compiling tce_jacobi_x3a.F... Compiling t2_2_y2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Making all in diis2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Compiling tce_diis2.F... Compiling tce_jacobi_tr1.F... Compiling tce_jacobi_tr2.F... Compiling tce_jacobi_tr3.F... Compiling tce_jacobi_tr4.F... Compiling tce_jacobi_lr1.F... Compiling tce_jacobi_lr2.F... Compiling tce_jacobi_lr3.F... Compiling tce_jacobi_lr4.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Making all in gradients make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Compiling tce_gradient.F... tce_gradient.F:325:54: 317 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 325 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_gradient.F:940:54: 319 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 940 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,ref+corr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_energy.F... Compiling ccsd_left.F... Compiling ccsd_gradient.F... Compiling ccsd_1pdm_hh_mo.F... Compiling ccsd_1pdm_pp_mo.F... Compiling ccsd_1pdm_hp_mo.F... Compiling ccsd_1pdm_ph_mo.F... Compiling ccsd_2pdm_hhhh_mo.F... Compiling ccsd_2pdm_hhhp_mo.F... Compiling ccsd_2pdm_hhpp_mo.F... Compiling ccsd_2pdm_hphh_mo.F... Compiling ccsd_2pdm_hphp_mo.F... Compiling ccsd_2pdm_hppp_mo.F... Compiling ccsd_2pdm_pphh_mo.F... Compiling ccsd_2pdm_pphp_mo.F... Compiling ccsd_2pdm_pppp_mo.F... Compiling zvec_x_a_a.F... Compiling zvec_x_a_b_a.F... Compiling zvec_x_a_b_b.F... Compiling zvec_x_a_c_a.F... Compiling zvec_x_a_c_b.F... Compiling zvec_x_a_d.F... Compiling zvec_x_a_e_a.F... Compiling zvec_x_a_e_b.F... Compiling zvec_x_a_f_a.F... Compiling zvec_x_a_f_b.F... Compiling zvec_x_b_a_a.F... Compiling zvec_x_b_a_b.F... Compiling zvec_x_b_b_a.F... Compiling zvec_x_b_b_b.F... Compiling zvec_x_b_c.F... Compiling zvec_x_b_d_a.F... Compiling zvec_x_b_d_b.F... Compiling zvec_x_b_e_a.F... Compiling zvec_x_b_e_b.F... Compiling zvec_x_b_f.F... Compiling zvec_x_c_a.F... Compiling zvec_x_c_b.F... Compiling ccsd_zvec.F... Compiling wdm_hh_mo_a.F... Compiling wdm_hh_mo_b_a_a.F... Compiling wdm_hh_mo_b_a_b.F... Compiling wdm_hh_mo_b_b_a.F... Compiling wdm_hh_mo_b_b_b.F... Compiling wdm_hh_mo_c_a.F... Compiling wdm_hh_mo_c_b_a.F... Compiling wdm_hh_mo_c_b_b.F... Compiling wdm_hh_mo_c_c_a.F... Compiling wdm_hh_mo_c_c_b.F... Compiling wdm_hh_mo_c_d.F... Compiling wdm_hh_mo_c_e_a.F... Compiling wdm_hh_mo_c_e_b.F... Compiling wdm_hh_mo_c_f_a.F... Compiling wdm_hh_mo_c_f_b.F... Compiling wdm_hh_mo_d.F... Compiling wdm_hp_mo_a.F... Compiling wdm_hp_mo_b_a_a.F... Compiling wdm_hp_mo_b_a_b.F... Compiling wdm_hp_mo_b_b_a.F... Compiling wdm_hp_mo_b_b_b.F... Compiling wdm_hp_mo_b_c.F... Compiling wdm_hp_mo_b_d_a.F... Compiling wdm_hp_mo_b_d_b.F... Compiling wdm_hp_mo_b_e_a.F... Compiling wdm_hp_mo_b_e_b.F... Compiling wdm_hp_mo_b_f.F... Compiling wdm_hp_mo_c.F... Compiling wdm_pp_mo_a.F... Compiling wdm_pp_mo_b_a_a.F... Compiling wdm_pp_mo_b_a_b.F... Compiling wdm_pp_mo_b_b_a.F... Compiling wdm_pp_mo_b_b_b.F... Compiling wdm_pp_mo_b_c.F... Compiling wdm_pp_mo_b_d_a.F... Compiling wdm_pp_mo_b_d_b.F... Compiling wdm_pp_mo_b_e_a.F... Compiling wdm_pp_mo_b_e_b.F... Compiling wdm_pp_mo_b_f.F... Compiling tce_grad_tidy.F... Compiling tce_ccsd_1prdm.F... Compiling tce_dens_hhhh_offset.F... Compiling tce_dens_hhhp_offset.F... Compiling tce_dens_hhpp_offset.F... Compiling tce_dens_hphh_offset.F... Compiling tce_dens_hphp_offset.F... Compiling tce_dens_hppp_offset.F... Compiling tce_dens_pphh_offset.F... Compiling tce_dens_pphp_offset.F... Compiling tce_dens_pppp_offset.F... Compiling tce_zvec_x1_offset.F... Compiling tce_2pdm_offset.F... Compiling put_2pdm_hhhh.F... Compiling put_2pdm_hhhp.F... Compiling put_2pdm_hhpp.F... Compiling put_2pdm_hphh.F... Compiling put_2pdm_hphp.F... Compiling put_2pdm_hppp.F... Compiling put_2pdm_pphh.F... Compiling put_2pdm_pphp.F... Compiling put_2pdm_pppp.F... Compiling tce_1pdm_offset.F... Compiling put_1pdm_hh.F... Compiling put_1pdm_hp.F... Compiling put_1pdm_ph.F... Compiling put_1pdm_ph_2.F... Compiling put_1pdm_pp.F... Compiling put_1pwdm_hp.F... Compiling ao_tiles.F... Compiling btrans1.F... Compiling ao_1prdm_write.F... Compiling tce_gradients_doit.F... Compiling tce_grad_force.F... tce_grad_force.F:202:63: 200 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 201 | $ ocdfit = .false. 202 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tce_grad1.F... Compiling tce_grad2.F... Compiling sym_2pdm_ao.F... Compiling btrans2.F... Compiling eomccsd_energy.F... eomccsd_energy.F:96:72: 96 | cpu=cpu+util_cpusec() | ^ Warning: 'cpu' may be used uninitialized [-Wmaybe-uninitialized] eomccsd_energy.F:26:26: 26 | double precision cpu, wall | ^ note: 'cpu' declared here eomccsd_energy.F:97:72: 97 | wall=wall+util_wallsec() | ^ Warning: 'wall' may be used uninitialized [-Wmaybe-uninitialized] eomccsd_energy.F:26:32: 26 | double precision cpu, wall | ^ note: 'wall' declared here Compiling eomccsd_left.F... eomccsd_left.F:96:72: 96 | cpu=cpu+util_cpusec() | ^ Warning: 'cpu' may be used uninitialized [-Wmaybe-uninitialized] eomccsd_left.F:37:26: 37 | double precision cpu, wall | ^ note: 'cpu' declared here eomccsd_left.F:97:72: 97 | wall=wall+util_wallsec() | ^ Warning: 'wall' may be used uninitialized [-Wmaybe-uninitialized] eomccsd_left.F:37:32: 37 | double precision cpu, wall | ^ note: 'wall' declared here Compiling eomccsd_gradients.F... Compiling eomccsd_1pdm_hh_mo.F... Compiling eomccsd_1pdm_pp_mo.F... Compiling tce_eomccsd_1prdm.F... Compiling eomccsd_2pdm_hhhh_mo.F... Compiling eomccsd_2pdm_hhhp_mo.F... Compiling eomccsd_2pdm_hhpp_mo.F... Compiling eomccsd_2pdm_hphh_mo.F... Compiling eomccsd_2pdm_hphp_mo.F... Compiling eomccsd_2pdm_hppp_mo.F... Compiling eomccsd_2pdm_pphh_mo.F... Compiling eomccsd_2pdm_pphp_mo.F... Compiling eomccsd_2pdm_pppp_mo.F... Compiling eomccsd_z1.F... Compiling eomccsd_z2.F... Compiling eomccsd_2pdm_pphh_zvec_mo.F... Compiling eomccsd_1pdm_hp_mo.F... Compiling eomccsd_1pdm_ph_mo.F... Compiling eomccsd_x1_grad.F... Compiling eomccsd_x2_grad.F... Compiling tce_eom_xdiagon_grad.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Making all in ccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Compiling ccsd_e.F... Compiling ccsd_t1.F... Compiling ccsd_t2.F... Compiling cc2_t1.F... Compiling cc2_t2.F... Compiling ccsd_1prdm.F... Compiling ccsd_1prdm_hh.F... Compiling ccsd_1prdm_hp.F... Compiling ccsd_1prdm_ph.F... Compiling ccsd_1prdm_pp.F... Compiling icsd_t1.F... Compiling icsd_t2.F... Compiling ccsd_kernels.F... Compiling ccsd_t2_8.F... Compiling tce_1b_dens_print.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Making all in ccsd_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Compiling ccsd_lambda1_1.F... Compiling ccsd_lambda1_2.F... Compiling ccsd_lambda2.F... Compiling ccsd_density1.F... Compiling ccsd_lambda1_mod.F... ccsd_lambda1_mod.F:5436:72: 5436 | &+nvab) * (h6b_2 - 1))))) | 1 Warning: Missing actual argument for argument '_formal_44' at (1) make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Making all in eomccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... Compiling eomccsd_y2.F... Compiling eomccsd_density1.F... Compiling eomccsd_denominator.F... Compiling cc2_x1.F... Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... Compiling eomccsd_1prdm_hh.F... Compiling eomccsd_1prdm_hp.F... Compiling eomccsd_1prdm_ph.F... Compiling eomccsd_1prdm_pp.F... Compiling eomccsd_x1_old.F... Compiling eomccsd_x2_old.F... Compiling eomicsd_x1.F... Compiling eomicsd_x2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Making all in ccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Compiling cr_ccsd_t.F... Compiling lr_ccsd_t.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Compiling ccsd_t.F... Compiling ccsd_t_doubles.F... Compiling ccsd_t_singles.F... Compiling lambda_ccsd_t.F... Compiling lambda_ccsd_t_left.F... Compiling ccsd_t_doubles_l.F... Compiling ccsd_t_singles_l.F... Compiling ccsd2_t.F... ccsd2_t.F:75:72: 75 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_t.F:35:21: 35 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_t.F:80:72: 80 | 4 l_i1_offset_5,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_t.F:36:20: 36 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_t_left.F... Compiling ccsd2_q.F... ccsd2_q.F:55:72: 55 | 4 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_q.F:32:21: 32 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_q.F:58:72: 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_q.F:33:20: 33 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_q_left.F... Compiling ccsd2_q_right.F... Compiling ccsdt2_q.F... ccsdt2_q.F:77:72: 77 | 7 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsdt2_q.F:42:21: 42 | integer k_right,l_right | ^ note: 'k_right' declared here ccsdt2_q.F:83:72: 83 | 5 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsdt2_q.F:43:20: 43 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsdt2_q_left.F... Compiling ccsdt2_q_right.F... Compiling cr_ccsd_t_D.F... Compiling cr_ccsd_t_E.F... Compiling cr_ccsd_t_N.F... Compiling lr_ccsd_tq.F... Compiling cr_qcisd_t.F... cr_qcisd_t.F:260:72: 260 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right_3' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:221:23: 221 | integer k_right_3,l_right_3 | ^ note: 'k_right_3' declared here cr_qcisd_t.F:263:72: 263 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_denom' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:222:21: 222 | integer k_denom,l_denom | ^ note: 'k_denom' declared here Compiling m2_dot_m1t1.F... Compiling ccsd_t_restart.F... ccsd_t_restart.F:82:21: 59 | 1 ccsd_t_restart_begin)) then | 2 ...... 82 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t_restart.F:87:23: 62 | 1 ccsd_t_restart_begin)) then | 2 ...... 87 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_t_6dts.F... Compiling ccsd_t_singles_l_6dts.F... Compiling ccsd_t_doubles_l_6dts.F... Compiling ccsd_t_dts_kernels_omp.F... Compiling ccsd_t_transpose.F... Compiling offl_ccsd_t_doubles_l.F... Compiling ccsd_t_kernels_omp.F... Compiling tce_hashnsort.F... Compiling ccsd_t_pstat.F... Compiling ccsd_t_dot.F... Compiling ccsd_t_neword.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Making all in cr-eomccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Compiling c1_c1.F... Compiling c2_c2.F... Compiling cr_eomccsd_t.F... cr_eomccsd_t.F:265:72: 265 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:83:21: 83 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t.F:279:72: 279 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:85:20: 85 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomccsd_t_gr.F... cr_eomccsd_t_gr.F:143:72: 143 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:64:22: 64 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here cr_eomccsd_t_gr.F:153:72: 153 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:66:20: 66 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here Compiling t2t12.F... Compiling nr0.F... Compiling c1excit2.F... Compiling c2excit2.F... Compiling q3rexpt2.F... Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... Compiling cr_eomccsd_t_n2_1.F... Compiling cr_eomccsd_t_n2_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1.F... Compiling cr_eomccsd_t_n2_1_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... Compiling cr_eomccsd_t_n2_1_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_2_1.F... Compiling cr_eomccsd_t_n2_1_1_2_2.F... Compiling cr_eomccsd_t_n2_1_1_3.F... Compiling cr_eomccsd_t_n2_1_2.F... Compiling cr_eomccsd_t_n2_1_3.F... Compiling cr_eomccsd_t_n2_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_1.F... Compiling cr_eomccsd_t_n2_1_3_2.F... Compiling cr_eomccsd_t_n2_1_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... Compiling cr_eomccsd_t_n2_1_4_1.F... Compiling offset_cr_eomccsd_t_n2_1_4_1.F... Compiling cr_eomccsd_t_n2_1_5.F... Compiling cr_eomccsd_t_n2_1_5_1.F... Compiling offset_cr_eomccsd_t_n2_1_5_1.F... Compiling cr_eomccsd_t_n2_1_6.F... Compiling cr_eomccsd_t_n2_1_6_1.F... Compiling offset_cr_eomccsd_t_n2_1_6_1.F... Compiling cr_eomccsd_t_n2_1_7.F... Compiling cr_eomccsd_t_n2_1_7_1.F... Compiling offset_cr_eomccsd_t_n2_1_7_1.F... Compiling cr_eomccsd_t_n2_1_7_2.F... Compiling cr_eomccsd_t_n2_1_8.F... Compiling cr_eomccsd_t_n2_1_8_1.F... Compiling offset_cr_eomccsd_t_n2_1_8_1.F... Compiling cr_eomccsd_t_n2_1_8_2.F... Compiling cr_eomccsd_t_n2_1_9.F... Compiling cr_eomccsd_t_n2_2.F... Compiling cr_eomccsd_t_n2_2_1.F... Compiling offset_cr_eomccsd_t_n2_2_1.F... Compiling cr_eomccsd_t_n2_2_1_1.F... Compiling offset_cr_eomccsd_t_n2_2_1_1.F... Compiling cr_eomccsd_t_n2_2_1_2.F... Compiling cr_eomccsd_t_n2_2_1_3.F... Compiling cr_eomccsd_t_n2_2_1_4.F... Compiling cr_eomccsd_t_n2_3.F... Compiling cr_eomccsd_t_n2_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_1.F... Compiling cr_eomccsd_t_n2_3_2.F... Compiling cr_eomccsd_t_n2_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_3_2_1.F... Compiling cr_eomccsd_t_n2_3_3.F... Compiling cr_eomccsd_t_n2_3_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_3_1.F... Compiling cr_eomccsd_t_n2_3_3_2.F... Compiling cr_eomccsd_t_n2_3_4.F... Compiling cr_eomccsd_t_n2_4.F... Compiling cr_eomccsd_t_n2_4_1.F... Compiling offset_cr_eomccsd_t_n2_4_1.F... Compiling cr_eomccsd_t_n2_4_1_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_1.F... Compiling cr_eomccsd_t_n2_4_1_2.F... Compiling cr_eomccsd_t_n2_4_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... Compiling cr_eomccsd_t_n2_4_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... Compiling cr_eomccsd_t_n2_4_1_4.F... Compiling cr_eomccsd_t_n2_4_2.F... Compiling cr_eomccsd_t_n2_4_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2.F... Compiling cr_eomccsd_t_n2_4_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2_2.F... Compiling cr_eomccsd_t_n2_4_2_3.F... Compiling cr_eomccsd_t_n2_4_2_4.F... Compiling cr_eomccsd_t_n2_5.F... Compiling cr_eomccsd_t_n2_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_1.F... Compiling cr_eomccsd_t_n2_5_2.F... Compiling cr_eomccsd_t_n2_5_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2.F... Compiling cr_eomccsd_t_n2_5_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2_2.F... Compiling cr_eomccsd_t_n2_5_2_3.F... Compiling cr_eomccsd_t_n2_5_3.F... Compiling cr_eomccsd_t_n2_5_3_1.F... Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... Compiling cr_eomccsd_t_n2_5_4.F... Compiling cr_eomccsd_t_n2_5_4_1.F... Compiling offset_cr_eomccsd_t_n2_5_4_1.F... Compiling cr_eomccsd_t_n2_5_4_2.F... Compiling cr_eomccsd_t_n2_5_5.F... Compiling cr_eomccsd_t_n2_5_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_5_1.F... Compiling cr_eomccsd_t_n2_5_5_2.F... Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... Compiling cr_eomccsd_t_n2_6_1.F... Compiling offset_cr_eomccsd_t_n2_6_1.F... Compiling cr_eomccsd_t_n2_6_2.F... Compiling cr_eomccsd_t_n2_6_3.F... Compiling cr_eomccsd_t_n2_6_3_1.F... Compiling offset_cr_eomccsd_t_n2_6_3_1.F... Compiling cr_eomccsd_t_n2_6_3_2.F... Compiling cr_eomccsd_t_n2_6_4.F... Compiling creomccsd_t_n2_mem.F... Compiling q3rexpt2_6dts.F... Compiling creomccsd_t_n2_mem_6dts.F... Compiling cr_eomccsd_t_6dts.F... cr_eomccsd_t_6dts.F:280:72: 280 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:95:21: 95 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts.F:294:72: 294 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:97:20: 97 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_ccsd_t_N_6dts.F... Compiling cr_ccsd_t_E_6dts.F... Compiling cr_eomccsd_t_6dts_d4d5_parallel.F... cr_eomccsd_t_6dts_d4d5_parallel.F:276:72: 276 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:91:21: 91 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts_d4d5_parallel.F:290:72: 290 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:93:20: 93 | integer k_left,l_left | ^ note: 'k_left' declared here make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Making all in lrh make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Compiling tce_loc_j1.F... Compiling tce_loc_j2.F... tce_loc_j2.F:102:43: 102 | if(restricted.and.(spin_sum.eq.6)) then | ^ Warning: 'spin_sum' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:47:22: 47 | integer spin_sum,spin_suml | ^ note: 'spin_sum' was declared here tce_loc_j2.F:103:72: 103 | ip2alpha=int_mb(k_offset+p2alpha-1)+p2 | ^ Warning: 'p2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:48:21: 48 | integer p2alpha | ^ note: 'p2alpha' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ip2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:50:22: 50 | integer ip2alpha | ^ note: 'ip2alpha' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ih4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:51:22: 51 | integer ih4alpha | ^ note: 'ih4alpha' was declared here tce_loc_j2.F:104:72: 104 | ih4alpha=int_mb(k_offset+h4alpha-1)+h4 | ^ Warning: 'h4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:49:21: 49 | integer h4alpha | ^ note: 'h4alpha' was declared here make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_loc_j1.o tce_loc_j2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Making all in emb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Compiling c1v.F... Compiling c2vt1_s.F... Compiling emb1.F... emb1.F:288:72: 288 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:80:22: 80 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb1.F:303:72: 303 | &l_i2_offset_3,l_i2_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb1.F:81:22: 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb1.F:312:72: 312 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb1.F:79:19: 79 | integer k_den,l_den | ^ note: 'k_den' declared here emb1.F:308:72: 308 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:89:20: 89 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb1.F:321:72: 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb1.F:126:20: 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb1.F:336:72: 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb1.F:128:25: 128 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here Compiling emb2.F... emb2.F:295:72: 295 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:82:22: 82 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb2.F:308:72: 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb2.F:83:22: 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb2.F:317:72: 317 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb2.F:81:19: 81 | integer k_den,l_den | ^ note: 'k_den' declared here emb2.F:313:72: 313 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:92:20: 92 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb2.F:326:72: 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb2.F:129:20: 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb2.F:341:72: 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb2.F:131:25: 131 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Making all in ccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Compiling ccd_e.F... Compiling ccd_t2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccd_e.o ccd_t2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Making all in lccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Compiling lccd_e.F... Compiling lccd_t2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a lccd_e.o lccd_t2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Making all in lccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Compiling lccsd_e.F... Compiling lccsd_t1.F... Compiling lccsd_t2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Making all in qcisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Compiling qcisd_e.F... Compiling qcisd_t1.F... Compiling qcisd_t2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Making all in cc3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Compiling cc3_t3.F... Compiling ccsdt1b_t3.F... Compiling ccsdt2_t3.F... Compiling ccsdt3_t3.F... Compiling eomccsdt1_x3.F... Compiling eomcc3_x3.F... Compiling eomccsdt3_x3.F... Compiling cc3_lambda3.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Making all in mbpt1 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a mbpt1_t1.o mbpt1_t2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Making all in mbpt2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Compiling mbpt2_e.F... Compiling mbpt2_t1.F... Compiling mbpt2_t2.F... Compiling mbpt2_t2_b.F... Compiling mbpt2_t3.F... Compiling mbpt2_t1_sd.F... Compiling mbpt2_t2_sd.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Making all in mbpt3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Compiling mbpt3_e.F... Compiling mbpt3_t1.F... Compiling mbpt3_t2.F... Compiling mbpt3_t1_sd.F... Compiling mbpt3_t2_sd.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Making all in mbpt4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Compiling mbpt4_e.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a mbpt4_e.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Making all in cis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Compiling cis.F... Compiling cis_x1.F... Compiling cis_xdiagon.F... Compiling cis_xtidy.F... Compiling cis_xguess.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Making all in cisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Compiling cisd_e.F... Compiling cisd_c1.F... Compiling cisd_c2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cisd_e.o cisd_c1.o cisd_c2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Making all in cisdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... Compiling cisdt_c3.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Making all in cisdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Compiling cisdtq_e.F... Compiling cisdtq_c1.F... Compiling cisdtq_c2.F... Compiling cisdtq_c3.F... Compiling cisdtq_c4.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Making all in ccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Compiling ccsd_ea.F... Compiling ccsd_t1a.F... Compiling ccsd_t2a.F... Compiling activity.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Making all in eomccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Compiling eomccsd_x1a.F... Compiling eomccsd_x2a.F... Compiling q2na_hc1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Making all in cr_eomccsd_t_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Compiling cr_ccsd_t_E_act.F... Compiling cr_eomccsd_t_act.F... cr_eomccsd_t_act.F:253:72: 253 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_t_act.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling q3rexpt2_act.F... Compiling cr_ccsd_t_N_act.F... Compiling creomccsd_t_n2_act_mem.F... Compiling cr_eomccsd_tasim.F... cr_eomccsd_tasim.F:261:72: 261 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_tasim.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Making all in sort make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... Compiling new_sort2.F... Compiling new_sort4.F... Compiling new_sort6.F... Compiling tce_sort8.F... Compiling tce_sortacc8.F... Compiling tce_sort1.f... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Making all in ducc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT map_hcore.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT rot_vir.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT ducc.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hh.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hp.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT pp.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hhhh.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT pppp.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hhhp.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT ppph.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hhpp.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hphp.F make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' Making all in ucc4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Compiling ucc4_e_new.F... Compiling ucc4_t1_new.F... Compiling ucc4_t2.F... Compiling ucc4_t2_t2_v_t.F... Compiling ucc4_t3.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Making all in eaccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' Compiling eaccsd_x1.F... Compiling eaccsd_x2.F... Compiling tce_print_eax1.F... Compiling tce_print_eax2.F... Compiling tce_eax1_offset.F... Compiling tce_eax2_offset.F... Compiling tce_eom_eaxguess.F... Compiling tce_jacobi_eax1.F... Compiling tce_jacobi_eax2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' Making all in ipccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' Compiling ipccsd_x1.F... Compiling ipccsd_x2.F... Compiling tce_print_ipx1.F... Compiling tce_print_ipx2.F... Compiling tce_ipx1_offset.F... Compiling tce_ipx2_offset.F... Compiling tce_eom_ipxguess.F... Compiling tce_jacobi_ipx1.F... Compiling tce_jacobi_ipx2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' Making all in ccsdt_alpha_offdiag make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' Compiling ccsdt_lr_alpha_offdiag_10_1_1.F... Compiling ccsdt_lr_alpha_offdiag_10_1.F... Compiling ccsdt_lr_alpha_offdiag_10_2_1.F... Compiling ccsdt_lr_alpha_offdiag_10_2.F... Compiling ccsdt_lr_alpha_offdiag_10_3_1.F... Compiling ccsdt_lr_alpha_offdiag_10_3.F... Compiling ccsdt_lr_alpha_offdiag_10_4_1.F... Compiling ccsdt_lr_alpha_offdiag_10_4.F... Compiling ccsdt_lr_alpha_offdiag_10.F... Compiling ccsdt_lr_alpha_offdiag_11_1_1.F... Compiling ccsdt_lr_alpha_offdiag_11_1.F... Compiling ccsdt_lr_alpha_offdiag_11_2_1.F... Compiling ccsdt_lr_alpha_offdiag_11_2_2.F... Compiling ccsdt_lr_alpha_offdiag_11_2.F... Compiling ccsdt_lr_alpha_offdiag_11_3_1.F... Compiling ccsdt_lr_alpha_offdiag_11_3.F... Compiling ccsdt_lr_alpha_offdiag_11_4_1.F... Compiling ccsdt_lr_alpha_offdiag_11_4.F... Compiling ccsdt_lr_alpha_offdiag_11_5_1.F... Compiling ccsdt_lr_alpha_offdiag_11_5.F... Compiling ccsdt_lr_alpha_offdiag_1_1.F... Compiling ccsdt_lr_alpha_offdiag_11.F... Compiling ccsdt_lr_alpha_offdiag_12_10_1.F... Compiling ccsdt_lr_alpha_offdiag_12_10_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_10_2.F... Compiling ccsdt_lr_alpha_offdiag_12_10_3_1.F... Compiling ccsdt_lr_alpha_offdiag_12_10_3.F... Compiling ccsdt_lr_alpha_offdiag_12_10.F... Compiling ccsdt_lr_alpha_offdiag_12_11_1.F... Compiling ccsdt_lr_alpha_offdiag_12_11_2.F... Compiling ccsdt_lr_alpha_offdiag_12_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_11.F... Compiling ccsdt_lr_alpha_offdiag_12_12_1.F... Compiling ccsdt_lr_alpha_offdiag_12_12.F... Compiling ccsdt_lr_alpha_offdiag_12_13_1.F... Compiling ccsdt_lr_alpha_offdiag_12_13.F... Compiling ccsdt_lr_alpha_offdiag_12_14_1.F... Compiling ccsdt_lr_alpha_offdiag_12_14.F... Compiling ccsdt_lr_alpha_offdiag_12_15_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_2.F... Compiling ccsdt_lr_alpha_offdiag_12_15_3_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_3.F... Compiling ccsdt_lr_alpha_offdiag_12_15_4_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_4.F... Compiling ccsdt_lr_alpha_offdiag_12_15_5_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_5.F... Compiling ccsdt_lr_alpha_offdiag_12_15_6_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_6.F... Compiling ccsdt_lr_alpha_offdiag_12_15.F... Compiling ccsdt_lr_alpha_offdiag_12_16_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_16_1.F... Compiling ccsdt_lr_alpha_offdiag_12_16_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_16_2.F... Compiling ccsdt_lr_alpha_offdiag_12_16.F... Compiling ccsdt_lr_alpha_offdiag_12_17_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_17_1.F... Compiling ccsdt_lr_alpha_offdiag_12_17_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_17_2.F... Compiling ccsdt_lr_alpha_offdiag_12_17_3_1.F... Compiling ccsdt_lr_alpha_offdiag_12_17_3.F... Compiling ccsdt_lr_alpha_offdiag_12_17_4_1.F... Compiling ccsdt_lr_alpha_offdiag_12_17_4.F... Compiling ccsdt_lr_alpha_offdiag_12_17.F... Compiling ccsdt_lr_alpha_offdiag_12_18_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_18_1.F... Compiling ccsdt_lr_alpha_offdiag_12_18_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_18_2.F... Compiling ccsdt_lr_alpha_offdiag_12_18.F... Compiling ccsdt_lr_alpha_offdiag_12_19_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_19_1.F... Compiling ccsdt_lr_alpha_offdiag_12_19_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_19_2.F... Compiling ccsdt_lr_alpha_offdiag_12_19.F... Compiling ccsdt_lr_alpha_offdiag_12_1.F... Compiling ccsdt_lr_alpha_offdiag_12_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_2_2.F... Compiling ccsdt_lr_alpha_offdiag_12_2.F... Compiling ccsdt_lr_alpha_offdiag_12_3_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_2.F... Compiling ccsdt_lr_alpha_offdiag_12_3_3_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_3.F... Compiling ccsdt_lr_alpha_offdiag_12_3_4_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_4.F... Compiling ccsdt_lr_alpha_offdiag_12_3_5_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_5.F... Compiling ccsdt_lr_alpha_offdiag_12_3_6_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_6.F... Compiling ccsdt_lr_alpha_offdiag_12_3_7_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_7.F... Compiling ccsdt_lr_alpha_offdiag_12_3.F... Compiling ccsdt_lr_alpha_offdiag_12_4_1.F... Compiling ccsdt_lr_alpha_offdiag_12_4_2.F... Compiling ccsdt_lr_alpha_offdiag_12_4.F... Compiling ccsdt_lr_alpha_offdiag_12_5_1.F... Compiling ccsdt_lr_alpha_offdiag_12_5.F... Compiling ccsdt_lr_alpha_offdiag_12_6_1.F... Compiling ccsdt_lr_alpha_offdiag_12_6.F... Compiling ccsdt_lr_alpha_offdiag_12_7_1.F... Compiling ccsdt_lr_alpha_offdiag_12_7.F... Compiling ccsdt_lr_alpha_offdiag_12_8_1.F... Compiling ccsdt_lr_alpha_offdiag_12_8.F... Compiling ccsdt_lr_alpha_offdiag_12_9_1.F... Compiling ccsdt_lr_alpha_offdiag_12_9_2.F... Compiling ccsdt_lr_alpha_offdiag_12_9.F... Compiling ccsdt_lr_alpha_offdiag_1_2.F... 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Compiling offset_ccsdt_lr_alpha_offdiag_9_7_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_lr_alpha_offdiag_10_1_1.o ccsdt_lr_alpha_offdiag_10_1.o ccsdt_lr_alpha_offdiag_10_2_1.o ccsdt_lr_alpha_offdiag_10_2.o ccsdt_lr_alpha_offdiag_10_3_1.o ccsdt_lr_alpha_offdiag_10_3.o ccsdt_lr_alpha_offdiag_10_4_1.o ccsdt_lr_alpha_offdiag_10_4.o ccsdt_lr_alpha_offdiag_10.o ccsdt_lr_alpha_offdiag_11_1_1.o ccsdt_lr_alpha_offdiag_11_1.o ccsdt_lr_alpha_offdiag_11_2_1.o ccsdt_lr_alpha_offdiag_11_2_2.o ccsdt_lr_alpha_offdiag_11_2.o ccsdt_lr_alpha_offdiag_11_3_1.o 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offset_ccsdt_lr_alpha_offdiag_3_5_4_1.o offset_ccsdt_lr_alpha_offdiag_3_6_1.o offset_ccsdt_lr_alpha_offdiag_3_7_1.o offset_ccsdt_lr_alpha_offdiag_3_8_1.o offset_ccsdt_lr_alpha_offdiag_3_8_2_1.o offset_ccsdt_lr_alpha_offdiag_3_9_1.o offset_ccsdt_lr_alpha_offdiag_4_1.o offset_ccsdt_lr_alpha_offdiag_5_1.o offset_ccsdt_lr_alpha_offdiag_5_4_1.o offset_ccsdt_lr_alpha_offdiag_5_5_1.o offset_ccsdt_lr_alpha_offdiag_5_6_1.o offset_ccsdt_lr_alpha_offdiag_5_7_1.o offset_ccsdt_lr_alpha_offdiag_5_8_1.o offset_ccsdt_lr_alpha_offdiag_5_9_1.o offset_ccsdt_lr_alpha_offdiag_6_1.o offset_ccsdt_lr_alpha_offdiag_7_1.o offset_ccsdt_lr_alpha_offdiag_8_1.o offset_ccsdt_lr_alpha_offdiag_9_1_1.o offset_ccsdt_lr_alpha_offdiag_9_1.o offset_ccsdt_lr_alpha_offdiag_9_2_1.o offset_ccsdt_lr_alpha_offdiag_9_3_1.o offset_ccsdt_lr_alpha_offdiag_9_4_1.o offset_ccsdt_lr_alpha_offdiag_9_5_1.o offset_ccsdt_lr_alpha_offdiag_9_6_1.o offset_ccsdt_lr_alpha_offdiag_9_7_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' Making all in ccsdt_alpha_new make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' Compiling ccsdt_lr_alpha1.F... 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Compiling OFFSET_ccsdt_lr_alpha2_11_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_lr_alpha1.o ccsdt_lr_alpha1_1.o ccsdt_lr_alpha1_1_1.o OFFSET_ccsdt_lr_alpha1_1_1.o ccsdt_lr_alpha1_1_2.o ccsdt_lr_alpha1_1_3.o ccsdt_lr_alpha1_1_4.o ccsdt_lr_alpha1_1_4_1.o OFFSET_ccsdt_lr_alpha1_1_4_1.o ccsdt_lr_alpha1_1_4_2.o ccsdt_lr_alpha1_1_4_3.o ccsdt_lr_alpha1_1_5.o ccsdt_lr_alpha1_1_5_1.o OFFSET_ccsdt_lr_alpha1_1_5_1.o ccsdt_lr_alpha1_1_5_2.o ccsdt_lr_alpha1_1_5_3.o ccsdt_lr_alpha1_1_6.o ccsdt_lr_alpha1_1_6_1.o OFFSET_ccsdt_lr_alpha1_1_6_1.o ccsdt_lr_alpha1_1_6_2.o ccsdt_lr_alpha1_1_7.o ccsdt_lr_alpha1_1_7_1.o OFFSET_ccsdt_lr_alpha1_1_7_1.o ccsdt_lr_alpha1_1_8.o ccsdt_lr_alpha1_1_8_1.o OFFSET_ccsdt_lr_alpha1_1_8_1.o ccsdt_lr_alpha1_1_8_2.o ccsdt_lr_alpha1_1_9.o ccsdt_lr_alpha1_1_9_1.o OFFSET_ccsdt_lr_alpha1_1_9_1.o ccsdt_lr_alpha1_2.o ccsdt_lr_alpha1_2_1.o OFFSET_ccsdt_lr_alpha1_2_1.o ccsdt_lr_alpha1_2_2.o ccsdt_lr_alpha1_2_3.o ccsdt_lr_alpha1_3.o ccsdt_lr_alpha1_3_1.o OFFSET_ccsdt_lr_alpha1_3_1.o ccsdt_lr_alpha1_4.o ccsdt_lr_alpha1_4_1.o OFFSET_ccsdt_lr_alpha1_4_1.o ccsdt_lr_alpha1_4_2.o ccsdt_lr_alpha2.o ccsdt_lr_alpha2_1.o ccsdt_lr_alpha2_1_1.o OFFSET_ccsdt_lr_alpha2_1_1.o ccsdt_lr_alpha2_2.o ccsdt_lr_alpha2_2_1.o OFFSET_ccsdt_lr_alpha2_2_1.o ccsdt_lr_alpha2_2_1_1.o OFFSET_ccsdt_lr_alpha2_2_1_1.o ccsdt_lr_alpha2_2_1_2.o ccsdt_lr_alpha2_2_1_3.o ccsdt_lr_alpha2_2_2.o ccsdt_lr_alpha2_2_2_1.o OFFSET_ccsdt_lr_alpha2_2_2_1.o ccsdt_lr_alpha2_2_2_2.o ccsdt_lr_alpha2_2_2_3.o ccsdt_lr_alpha2_2_3.o ccsdt_lr_alpha2_2_3_1.o OFFSET_ccsdt_lr_alpha2_2_3_1.o ccsdt_lr_alpha2_2_3_2.o ccsdt_lr_alpha2_2_4.o ccsdt_lr_alpha2_2_4_1.o OFFSET_ccsdt_lr_alpha2_2_4_1.o ccsdt_lr_alpha2_2_5.o ccsdt_lr_alpha2_2_5_1.o OFFSET_ccsdt_lr_alpha2_2_5_1.o ccsdt_lr_alpha2_2_5_2.o ccsdt_lr_alpha2_2_6.o ccsdt_lr_alpha2_2_6_1.o OFFSET_ccsdt_lr_alpha2_2_6_1.o ccsdt_lr_alpha2_3.o ccsdt_lr_alpha2_3_1.o OFFSET_ccsdt_lr_alpha2_3_1.o ccsdt_lr_alpha2_3_1_1.o OFFSET_ccsdt_lr_alpha2_3_1_1.o ccsdt_lr_alpha2_3_1_2.o ccsdt_lr_alpha2_3_1_3.o ccsdt_lr_alpha2_3_1_3_1.o OFFSET_ccsdt_lr_alpha2_3_1_3_1.o ccsdt_lr_alpha2_3_1_4.o ccsdt_lr_alpha2_3_1_4_1.o OFFSET_ccsdt_lr_alpha2_3_1_4_1.o ccsdt_lr_alpha2_3_2.o ccsdt_lr_alpha2_3_2_1.o OFFSET_ccsdt_lr_alpha2_3_2_1.o ccsdt_lr_alpha2_3_3.o ccsdt_lr_alpha2_3_3_1.o OFFSET_ccsdt_lr_alpha2_3_3_1.o ccsdt_lr_alpha2_3_4.o ccsdt_lr_alpha2_3_4_1.o OFFSET_ccsdt_lr_alpha2_3_4_1.o ccsdt_lr_alpha2_3_4_2.o ccsdt_lr_alpha2_3_4_3.o ccsdt_lr_alpha2_3_4_3_1.o OFFSET_ccsdt_lr_alpha2_3_4_3_1.o ccsdt_lr_alpha2_3_4_4.o ccsdt_lr_alpha2_3_4_4_1.o OFFSET_ccsdt_lr_alpha2_3_4_4_1.o ccsdt_lr_alpha2_3_5.o ccsdt_lr_alpha2_3_5_1.o OFFSET_ccsdt_lr_alpha2_3_5_1.o ccsdt_lr_alpha2_3_6.o ccsdt_lr_alpha2_3_6_1.o OFFSET_ccsdt_lr_alpha2_3_6_1.o ccsdt_lr_alpha2_3_7.o ccsdt_lr_alpha2_3_7_1.o OFFSET_ccsdt_lr_alpha2_3_7_1.o ccsdt_lr_alpha2_3_8.o ccsdt_lr_alpha2_3_8_1.o OFFSET_ccsdt_lr_alpha2_3_8_1.o ccsdt_lr_alpha2_3_9.o ccsdt_lr_alpha2_3_9_1.o OFFSET_ccsdt_lr_alpha2_3_9_1.o ccsdt_lr_alpha2_3_9_1_1.o OFFSET_ccsdt_lr_alpha2_3_9_1_1.o ccsdt_lr_alpha2_3_9_2.o ccsdt_lr_alpha2_3_9_2_1.o OFFSET_ccsdt_lr_alpha2_3_9_2_1.o ccsdt_lr_alpha2_4.o ccsdt_lr_alpha2_4_1.o OFFSET_ccsdt_lr_alpha2_4_1.o ccsdt_lr_alpha2_4_1_1.o OFFSET_ccsdt_lr_alpha2_4_1_1.o ccsdt_lr_alpha2_4_2.o ccsdt_lr_alpha2_4_2_1.o OFFSET_ccsdt_lr_alpha2_4_2_1.o ccsdt_lr_alpha2_4_3.o ccsdt_lr_alpha2_4_3_1.o OFFSET_ccsdt_lr_alpha2_4_3_1.o ccsdt_lr_alpha2_4_4.o ccsdt_lr_alpha2_4_4_1.o OFFSET_ccsdt_lr_alpha2_4_4_1.o ccsdt_lr_alpha2_5.o ccsdt_lr_alpha2_5_1.o OFFSET_ccsdt_lr_alpha2_5_1.o ccsdt_lr_alpha2_5_1_1.o OFFSET_ccsdt_lr_alpha2_5_1_1.o ccsdt_lr_alpha2_5_1_2.o ccsdt_lr_alpha2_5_2.o ccsdt_lr_alpha2_5_2_1.o OFFSET_ccsdt_lr_alpha2_5_2_1.o ccsdt_lr_alpha2_5_2_2.o ccsdt_lr_alpha2_5_3.o ccsdt_lr_alpha2_5_3_1.o OFFSET_ccsdt_lr_alpha2_5_3_1.o ccsdt_lr_alpha2_5_4.o ccsdt_lr_alpha2_5_4_1.o OFFSET_ccsdt_lr_alpha2_5_4_1.o ccsdt_lr_alpha2_6.o ccsdt_lr_alpha2_6_1.o OFFSET_ccsdt_lr_alpha2_6_1.o ccsdt_lr_alpha2_6_1_1.o OFFSET_ccsdt_lr_alpha2_6_1_1.o ccsdt_lr_alpha2_6_2.o ccsdt_lr_alpha2_6_2_1.o OFFSET_ccsdt_lr_alpha2_6_2_1.o ccsdt_lr_alpha2_6_2_2.o ccsdt_lr_alpha2_6_3.o ccsdt_lr_alpha2_6_3_1.o OFFSET_ccsdt_lr_alpha2_6_3_1.o ccsdt_lr_alpha2_6_3_2.o ccsdt_lr_alpha2_6_3_2_1.o OFFSET_ccsdt_lr_alpha2_6_3_2_1.o ccsdt_lr_alpha2_6_3_3.o ccsdt_lr_alpha2_6_3_3_1.o OFFSET_ccsdt_lr_alpha2_6_3_3_1.o ccsdt_lr_alpha2_6_3_4.o ccsdt_lr_alpha2_6_3_4_1.o OFFSET_ccsdt_lr_alpha2_6_3_4_1.o ccsdt_lr_alpha2_6_3_5.o ccsdt_lr_alpha2_6_3_5_1.o OFFSET_ccsdt_lr_alpha2_6_3_5_1.o ccsdt_lr_alpha2_6_3_6.o ccsdt_lr_alpha2_6_3_6_1.o OFFSET_ccsdt_lr_alpha2_6_3_6_1.o ccsdt_lr_alpha2_6_3_7.o ccsdt_lr_alpha2_6_3_7_1.o OFFSET_ccsdt_lr_alpha2_6_3_7_1.o ccsdt_lr_alpha2_6_4.o ccsdt_lr_alpha2_6_4_1.o OFFSET_ccsdt_lr_alpha2_6_4_1.o ccsdt_lr_alpha2_6_4_2.o ccsdt_lr_alpha2_6_5.o ccsdt_lr_alpha2_6_5_1.o OFFSET_ccsdt_lr_alpha2_6_5_1.o ccsdt_lr_alpha2_6_6.o ccsdt_lr_alpha2_6_6_1.o OFFSET_ccsdt_lr_alpha2_6_6_1.o ccsdt_lr_alpha2_6_7.o ccsdt_lr_alpha2_6_7_1.o OFFSET_ccsdt_lr_alpha2_6_7_1.o ccsdt_lr_alpha2_6_8.o ccsdt_lr_alpha2_6_8_1.o OFFSET_ccsdt_lr_alpha2_6_8_1.o ccsdt_lr_alpha2_6_9.o ccsdt_lr_alpha2_6_9_1.o OFFSET_ccsdt_lr_alpha2_6_9_1.o ccsdt_lr_alpha2_6_9_2.o ccsdt_lr_alpha2_6_10.o ccsdt_lr_alpha2_6_10_1.o OFFSET_ccsdt_lr_alpha2_6_10_1.o ccsdt_lr_alpha2_6_10_2.o ccsdt_lr_alpha2_6_10_2_1.o OFFSET_ccsdt_lr_alpha2_6_10_2_1.o ccsdt_lr_alpha2_6_10_3.o ccsdt_lr_alpha2_6_10_3_1.o OFFSET_ccsdt_lr_alpha2_6_10_3_1.o ccsdt_lr_alpha2_6_10_4.o ccsdt_lr_alpha2_6_10_4_1.o OFFSET_ccsdt_lr_alpha2_6_10_4_1.o ccsdt_lr_alpha2_6_10_5.o ccsdt_lr_alpha2_6_10_5_1.o OFFSET_ccsdt_lr_alpha2_6_10_5_1.o ccsdt_lr_alpha2_6_10_6.o ccsdt_lr_alpha2_6_10_6_1.o OFFSET_ccsdt_lr_alpha2_6_10_6_1.o ccsdt_lr_alpha2_6_10_7.o ccsdt_lr_alpha2_6_10_7_1.o OFFSET_ccsdt_lr_alpha2_6_10_7_1.o ccsdt_lr_alpha2_6_11.o ccsdt_lr_alpha2_6_11_1.o OFFSET_ccsdt_lr_alpha2_6_11_1.o ccsdt_lr_alpha2_6_11_2.o ccsdt_lr_alpha2_6_12.o ccsdt_lr_alpha2_6_12_1.o OFFSET_ccsdt_lr_alpha2_6_12_1.o ccsdt_lr_alpha2_6_13.o ccsdt_lr_alpha2_6_13_1.o OFFSET_ccsdt_lr_alpha2_6_13_1.o ccsdt_lr_alpha2_6_14.o ccsdt_lr_alpha2_6_14_1.o OFFSET_ccsdt_lr_alpha2_6_14_1.o ccsdt_lr_alpha2_6_15.o ccsdt_lr_alpha2_6_15_1.o OFFSET_ccsdt_lr_alpha2_6_15_1.o ccsdt_lr_alpha2_6_15_1_1.o OFFSET_ccsdt_lr_alpha2_6_15_1_1.o ccsdt_lr_alpha2_6_15_2.o ccsdt_lr_alpha2_6_15_2_1.o OFFSET_ccsdt_lr_alpha2_6_15_2_1.o ccsdt_lr_alpha2_6_15_3.o ccsdt_lr_alpha2_6_15_3_1.o OFFSET_ccsdt_lr_alpha2_6_15_3_1.o ccsdt_lr_alpha2_6_15_4.o ccsdt_lr_alpha2_6_15_4_1.o OFFSET_ccsdt_lr_alpha2_6_15_4_1.o ccsdt_lr_alpha2_6_15_5.o ccsdt_lr_alpha2_6_15_5_1.o OFFSET_ccsdt_lr_alpha2_6_15_5_1.o ccsdt_lr_alpha2_6_15_6.o ccsdt_lr_alpha2_6_15_6_1.o OFFSET_ccsdt_lr_alpha2_6_15_6_1.o ccsdt_lr_alpha2_6_16.o ccsdt_lr_alpha2_6_16_1.o OFFSET_ccsdt_lr_alpha2_6_16_1.o ccsdt_lr_alpha2_6_16_1_1.o OFFSET_ccsdt_lr_alpha2_6_16_1_1.o ccsdt_lr_alpha2_6_16_2.o ccsdt_lr_alpha2_6_16_2_1.o OFFSET_ccsdt_lr_alpha2_6_16_2_1.o ccsdt_lr_alpha2_6_17.o ccsdt_lr_alpha2_6_17_1.o OFFSET_ccsdt_lr_alpha2_6_17_1.o ccsdt_lr_alpha2_6_17_1_1.o OFFSET_ccsdt_lr_alpha2_6_17_1_1.o ccsdt_lr_alpha2_6_17_2.o ccsdt_lr_alpha2_6_17_2_1.o OFFSET_ccsdt_lr_alpha2_6_17_2_1.o ccsdt_lr_alpha2_6_18.o ccsdt_lr_alpha2_6_18_1.o OFFSET_ccsdt_lr_alpha2_6_18_1.o ccsdt_lr_alpha2_6_18_1_1.o OFFSET_ccsdt_lr_alpha2_6_18_1_1.o ccsdt_lr_alpha2_6_18_2.o ccsdt_lr_alpha2_6_18_2_1.o OFFSET_ccsdt_lr_alpha2_6_18_2_1.o ccsdt_lr_alpha2_7.o ccsdt_lr_alpha2_7_1.o OFFSET_ccsdt_lr_alpha2_7_1.o ccsdt_lr_alpha2_7_1_1.o OFFSET_ccsdt_lr_alpha2_7_1_1.o ccsdt_lr_alpha2_7_1_2.o ccsdt_lr_alpha2_7_1_3.o ccsdt_lr_alpha2_7_1_3_1.o OFFSET_ccsdt_lr_alpha2_7_1_3_1.o ccsdt_lr_alpha2_7_1_3_2.o ccsdt_lr_alpha2_7_1_4.o ccsdt_lr_alpha2_7_1_4_1.o OFFSET_ccsdt_lr_alpha2_7_1_4_1.o ccsdt_lr_alpha2_7_1_4_2.o ccsdt_lr_alpha2_7_2.o ccsdt_lr_alpha2_7_2_1.o OFFSET_ccsdt_lr_alpha2_7_2_1.o ccsdt_lr_alpha2_7_3.o ccsdt_lr_alpha2_7_3_1.o OFFSET_ccsdt_lr_alpha2_7_3_1.o ccsdt_lr_alpha2_7_3_2.o ccsdt_lr_alpha2_7_4.o ccsdt_lr_alpha2_7_4_1.o OFFSET_ccsdt_lr_alpha2_7_4_1.o ccsdt_lr_alpha2_7_4_1_1.o OFFSET_ccsdt_lr_alpha2_7_4_1_1.o ccsdt_lr_alpha2_7_4_1_2.o ccsdt_lr_alpha2_7_5.o ccsdt_lr_alpha2_7_5_1.o OFFSET_ccsdt_lr_alpha2_7_5_1.o ccsdt_lr_alpha2_7_6.o ccsdt_lr_alpha2_7_6_1.o OFFSET_ccsdt_lr_alpha2_7_6_1.o ccsdt_lr_alpha2_7_7.o ccsdt_lr_alpha2_7_7_1.o OFFSET_ccsdt_lr_alpha2_7_7_1.o ccsdt_lr_alpha2_7_7_2.o ccsdt_lr_alpha2_7_7_3.o ccsdt_lr_alpha2_7_7_3_1.o OFFSET_ccsdt_lr_alpha2_7_7_3_1.o ccsdt_lr_alpha2_7_7_3_2.o ccsdt_lr_alpha2_7_7_4.o ccsdt_lr_alpha2_7_7_4_1.o OFFSET_ccsdt_lr_alpha2_7_7_4_1.o ccsdt_lr_alpha2_7_7_4_2.o ccsdt_lr_alpha2_7_8.o ccsdt_lr_alpha2_7_8_1.o OFFSET_ccsdt_lr_alpha2_7_8_1.o ccsdt_lr_alpha2_7_9.o ccsdt_lr_alpha2_7_9_1.o OFFSET_ccsdt_lr_alpha2_7_9_1.o ccsdt_lr_alpha2_7_9_2.o ccsdt_lr_alpha2_7_10.o ccsdt_lr_alpha2_7_10_1.o OFFSET_ccsdt_lr_alpha2_7_10_1.o ccsdt_lr_alpha2_7_11.o ccsdt_lr_alpha2_7_11_1.o OFFSET_ccsdt_lr_alpha2_7_11_1.o ccsdt_lr_alpha2_7_12.o ccsdt_lr_alpha2_7_12_1.o OFFSET_ccsdt_lr_alpha2_7_12_1.o ccsdt_lr_alpha2_7_12_1_1.o OFFSET_ccsdt_lr_alpha2_7_12_1_1.o ccsdt_lr_alpha2_7_12_2.o ccsdt_lr_alpha2_7_12_2_1.o OFFSET_ccsdt_lr_alpha2_7_12_2_1.o ccsdt_lr_alpha2_7_13.o ccsdt_lr_alpha2_7_13_1.o OFFSET_ccsdt_lr_alpha2_7_13_1.o ccsdt_lr_alpha2_7_13_1_1.o OFFSET_ccsdt_lr_alpha2_7_13_1_1.o ccsdt_lr_alpha2_7_13_1_2.o ccsdt_lr_alpha2_7_13_2.o ccsdt_lr_alpha2_7_13_2_1.o OFFSET_ccsdt_lr_alpha2_7_13_2_1.o ccsdt_lr_alpha2_7_13_2_2.o ccsdt_lr_alpha2_7_14.o ccsdt_lr_alpha2_7_14_1.o OFFSET_ccsdt_lr_alpha2_7_14_1.o ccsdt_lr_alpha2_7_14_1_1.o OFFSET_ccsdt_lr_alpha2_7_14_1_1.o ccsdt_lr_alpha2_7_14_2.o ccsdt_lr_alpha2_7_14_2_1.o OFFSET_ccsdt_lr_alpha2_7_14_2_1.o ccsdt_lr_alpha2_7_15.o ccsdt_lr_alpha2_7_15_1.o OFFSET_ccsdt_lr_alpha2_7_15_1.o ccsdt_lr_alpha2_7_15_1_1.o OFFSET_ccsdt_lr_alpha2_7_15_1_1.o ccsdt_lr_alpha2_7_15_2.o ccsdt_lr_alpha2_7_15_2_1.o OFFSET_ccsdt_lr_alpha2_7_15_2_1.o ccsdt_lr_alpha2_8.o ccsdt_lr_alpha2_8_1.o OFFSET_ccsdt_lr_alpha2_8_1.o ccsdt_lr_alpha2_8_1_1.o OFFSET_ccsdt_lr_alpha2_8_1_1.o ccsdt_lr_alpha2_8_2.o ccsdt_lr_alpha2_8_2_1.o OFFSET_ccsdt_lr_alpha2_8_2_1.o ccsdt_lr_alpha2_9.o ccsdt_lr_alpha2_9_1.o OFFSET_ccsdt_lr_alpha2_9_1.o ccsdt_lr_alpha2_9_1_1.o OFFSET_ccsdt_lr_alpha2_9_1_1.o ccsdt_lr_alpha2_9_1_2.o ccsdt_lr_alpha2_9_2.o ccsdt_lr_alpha2_9_2_1.o OFFSET_ccsdt_lr_alpha2_9_2_1.o ccsdt_lr_alpha2_9_2_2.o ccsdt_lr_alpha2_9_2_3.o ccsdt_lr_alpha2_9_2_3_1.o OFFSET_ccsdt_lr_alpha2_9_2_3_1.o ccsdt_lr_alpha2_9_2_4.o ccsdt_lr_alpha2_9_2_4_1.o OFFSET_ccsdt_lr_alpha2_9_2_4_1.o ccsdt_lr_alpha2_9_3.o ccsdt_lr_alpha2_9_3_1.o OFFSET_ccsdt_lr_alpha2_9_3_1.o ccsdt_lr_alpha2_9_4.o ccsdt_lr_alpha2_9_4_1.o OFFSET_ccsdt_lr_alpha2_9_4_1.o ccsdt_lr_alpha2_9_4_2.o ccsdt_lr_alpha2_9_4_3.o ccsdt_lr_alpha2_9_4_3_1.o OFFSET_ccsdt_lr_alpha2_9_4_3_1.o ccsdt_lr_alpha2_9_4_4.o ccsdt_lr_alpha2_9_4_4_1.o OFFSET_ccsdt_lr_alpha2_9_4_4_1.o ccsdt_lr_alpha2_9_5.o ccsdt_lr_alpha2_9_5_1.o OFFSET_ccsdt_lr_alpha2_9_5_1.o ccsdt_lr_alpha2_9_6.o ccsdt_lr_alpha2_9_6_1.o OFFSET_ccsdt_lr_alpha2_9_6_1.o ccsdt_lr_alpha2_9_7.o ccsdt_lr_alpha2_9_7_1.o OFFSET_ccsdt_lr_alpha2_9_7_1.o ccsdt_lr_alpha2_9_7_2.o ccsdt_lr_alpha2_9_7_2_1.o OFFSET_ccsdt_lr_alpha2_9_7_2_1.o ccsdt_lr_alpha2_9_7_3.o ccsdt_lr_alpha2_9_7_3_1.o OFFSET_ccsdt_lr_alpha2_9_7_3_1.o ccsdt_lr_alpha2_9_8.o ccsdt_lr_alpha2_9_8_1.o OFFSET_ccsdt_lr_alpha2_9_8_1.o ccsdt_lr_alpha2_9_9.o ccsdt_lr_alpha2_9_9_1.o OFFSET_ccsdt_lr_alpha2_9_9_1.o ccsdt_lr_alpha2_9_9_2.o ccsdt_lr_alpha2_9_10.o ccsdt_lr_alpha2_9_10_1.o OFFSET_ccsdt_lr_alpha2_9_10_1.o ccsdt_lr_alpha2_9_11.o ccsdt_lr_alpha2_9_11_1.o OFFSET_ccsdt_lr_alpha2_9_11_1.o ccsdt_lr_alpha2_9_12.o ccsdt_lr_alpha2_9_12_1.o OFFSET_ccsdt_lr_alpha2_9_12_1.o ccsdt_lr_alpha2_9_13.o ccsdt_lr_alpha2_9_13_1.o OFFSET_ccsdt_lr_alpha2_9_13_1.o ccsdt_lr_alpha2_9_13_2.o ccsdt_lr_alpha2_9_13_2_1.o OFFSET_ccsdt_lr_alpha2_9_13_2_1.o ccsdt_lr_alpha2_9_13_3.o ccsdt_lr_alpha2_9_13_3_1.o OFFSET_ccsdt_lr_alpha2_9_13_3_1.o ccsdt_lr_alpha2_9_14.o ccsdt_lr_alpha2_9_14_1.o OFFSET_ccsdt_lr_alpha2_9_14_1.o ccsdt_lr_alpha2_9_15.o ccsdt_lr_alpha2_9_15_1.o OFFSET_ccsdt_lr_alpha2_9_15_1.o ccsdt_lr_alpha2_9_15_1_1.o OFFSET_ccsdt_lr_alpha2_9_15_1_1.o ccsdt_lr_alpha2_9_15_1_2.o ccsdt_lr_alpha2_9_15_1_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_1_2_1.o ccsdt_lr_alpha2_9_15_1_2_2.o ccsdt_lr_alpha2_9_15_1_3.o ccsdt_lr_alpha2_9_15_1_3_1.o OFFSET_ccsdt_lr_alpha2_9_15_1_3_1.o ccsdt_lr_alpha2_9_15_1_3_2.o ccsdt_lr_alpha2_9_15_2.o ccsdt_lr_alpha2_9_15_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_2_1.o ccsdt_lr_alpha2_9_15_3.o ccsdt_lr_alpha2_9_15_3_1.o OFFSET_ccsdt_lr_alpha2_9_15_3_1.o ccsdt_lr_alpha2_9_15_4.o ccsdt_lr_alpha2_9_15_4_1.o OFFSET_ccsdt_lr_alpha2_9_15_4_1.o ccsdt_lr_alpha2_9_15_4_2.o ccsdt_lr_alpha2_9_15_4_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_4_2_1.o ccsdt_lr_alpha2_9_15_4_2_2.o ccsdt_lr_alpha2_9_15_4_3.o ccsdt_lr_alpha2_9_15_4_3_1.o OFFSET_ccsdt_lr_alpha2_9_15_4_3_1.o ccsdt_lr_alpha2_9_15_4_3_2.o ccsdt_lr_alpha2_9_15_5.o ccsdt_lr_alpha2_9_15_5_1.o OFFSET_ccsdt_lr_alpha2_9_15_5_1.o ccsdt_lr_alpha2_9_15_6.o ccsdt_lr_alpha2_9_15_6_1.o OFFSET_ccsdt_lr_alpha2_9_15_6_1.o ccsdt_lr_alpha2_9_15_7.o ccsdt_lr_alpha2_9_15_7_1.o OFFSET_ccsdt_lr_alpha2_9_15_7_1.o ccsdt_lr_alpha2_9_15_7_1_1.o OFFSET_ccsdt_lr_alpha2_9_15_7_1_1.o ccsdt_lr_alpha2_9_15_8.o ccsdt_lr_alpha2_9_15_8_1.o OFFSET_ccsdt_lr_alpha2_9_15_8_1.o ccsdt_lr_alpha2_9_15_8_1_1.o OFFSET_ccsdt_lr_alpha2_9_15_8_1_1.o ccsdt_lr_alpha2_9_15_8_2.o ccsdt_lr_alpha2_9_15_8_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_8_2_1.o ccsdt_lr_alpha2_9_16.o ccsdt_lr_alpha2_9_16_1.o OFFSET_ccsdt_lr_alpha2_9_16_1.o ccsdt_lr_alpha2_9_16_1_1.o OFFSET_ccsdt_lr_alpha2_9_16_1_1.o ccsdt_lr_alpha2_9_16_2.o ccsdt_lr_alpha2_9_16_2_1.o OFFSET_ccsdt_lr_alpha2_9_16_2_1.o ccsdt_lr_alpha2_9_17.o ccsdt_lr_alpha2_9_17_1.o OFFSET_ccsdt_lr_alpha2_9_17_1.o ccsdt_lr_alpha2_9_17_1_1.o OFFSET_ccsdt_lr_alpha2_9_17_1_1.o ccsdt_lr_alpha2_9_17_2.o ccsdt_lr_alpha2_9_17_2_1.o OFFSET_ccsdt_lr_alpha2_9_17_2_1.o ccsdt_lr_alpha2_9_18.o ccsdt_lr_alpha2_9_18_1.o OFFSET_ccsdt_lr_alpha2_9_18_1.o ccsdt_lr_alpha2_9_18_1_1.o OFFSET_ccsdt_lr_alpha2_9_18_1_1.o ccsdt_lr_alpha2_9_18_2.o ccsdt_lr_alpha2_9_18_2_1.o OFFSET_ccsdt_lr_alpha2_9_18_2_1.o ccsdt_lr_alpha2_9_19.o ccsdt_lr_alpha2_9_19_1.o OFFSET_ccsdt_lr_alpha2_9_19_1.o ccsdt_lr_alpha2_9_19_1_1.o OFFSET_ccsdt_lr_alpha2_9_19_1_1.o ccsdt_lr_alpha2_9_19_2.o ccsdt_lr_alpha2_9_19_2_1.o OFFSET_ccsdt_lr_alpha2_9_19_2_1.o ccsdt_lr_alpha2_9_19_3.o ccsdt_lr_alpha2_9_19_3_1.o OFFSET_ccsdt_lr_alpha2_9_19_3_1.o ccsdt_lr_alpha2_9_19_4.o ccsdt_lr_alpha2_9_19_4_1.o OFFSET_ccsdt_lr_alpha2_9_19_4_1.o ccsdt_lr_alpha2_9_20.o ccsdt_lr_alpha2_9_20_1.o OFFSET_ccsdt_lr_alpha2_9_20_1.o ccsdt_lr_alpha2_9_20_1_1.o OFFSET_ccsdt_lr_alpha2_9_20_1_1.o ccsdt_lr_alpha2_9_20_2.o ccsdt_lr_alpha2_9_20_2_1.o OFFSET_ccsdt_lr_alpha2_9_20_2_1.o ccsdt_lr_alpha2_9_21.o ccsdt_lr_alpha2_9_21_1.o OFFSET_ccsdt_lr_alpha2_9_21_1.o ccsdt_lr_alpha2_9_21_1_1.o OFFSET_ccsdt_lr_alpha2_9_21_1_1.o ccsdt_lr_alpha2_9_21_2.o ccsdt_lr_alpha2_9_21_2_1.o OFFSET_ccsdt_lr_alpha2_9_21_2_1.o ccsdt_lr_alpha2_9_22.o ccsdt_lr_alpha2_9_22_1.o OFFSET_ccsdt_lr_alpha2_9_22_1.o ccsdt_lr_alpha2_9_22_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_1_1.o ccsdt_lr_alpha2_9_22_1_2.o ccsdt_lr_alpha2_9_22_1_3.o ccsdt_lr_alpha2_9_22_1_3_1.o OFFSET_ccsdt_lr_alpha2_9_22_1_3_1.o ccsdt_lr_alpha2_9_22_1_3_2.o ccsdt_lr_alpha2_9_22_1_4.o ccsdt_lr_alpha2_9_22_1_4_1.o OFFSET_ccsdt_lr_alpha2_9_22_1_4_1.o ccsdt_lr_alpha2_9_22_1_4_2.o ccsdt_lr_alpha2_9_22_2.o ccsdt_lr_alpha2_9_22_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_2_1.o ccsdt_lr_alpha2_9_22_3.o ccsdt_lr_alpha2_9_22_3_1.o OFFSET_ccsdt_lr_alpha2_9_22_3_1.o ccsdt_lr_alpha2_9_22_4.o ccsdt_lr_alpha2_9_22_4_1.o OFFSET_ccsdt_lr_alpha2_9_22_4_1.o ccsdt_lr_alpha2_9_22_4_2.o ccsdt_lr_alpha2_9_22_4_3.o ccsdt_lr_alpha2_9_22_4_3_1.o OFFSET_ccsdt_lr_alpha2_9_22_4_3_1.o ccsdt_lr_alpha2_9_22_4_3_2.o ccsdt_lr_alpha2_9_22_4_4.o ccsdt_lr_alpha2_9_22_4_4_1.o OFFSET_ccsdt_lr_alpha2_9_22_4_4_1.o ccsdt_lr_alpha2_9_22_4_4_2.o ccsdt_lr_alpha2_9_22_5.o ccsdt_lr_alpha2_9_22_5_1.o OFFSET_ccsdt_lr_alpha2_9_22_5_1.o ccsdt_lr_alpha2_9_22_6.o ccsdt_lr_alpha2_9_22_6_1.o OFFSET_ccsdt_lr_alpha2_9_22_6_1.o ccsdt_lr_alpha2_9_22_7.o ccsdt_lr_alpha2_9_22_7_1.o OFFSET_ccsdt_lr_alpha2_9_22_7_1.o ccsdt_lr_alpha2_9_22_7_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_7_1_1.o ccsdt_lr_alpha2_9_22_7_2.o ccsdt_lr_alpha2_9_22_7_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_7_2_1.o ccsdt_lr_alpha2_9_22_8.o ccsdt_lr_alpha2_9_22_8_1.o OFFSET_ccsdt_lr_alpha2_9_22_8_1.o ccsdt_lr_alpha2_9_22_8_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_8_1_1.o ccsdt_lr_alpha2_9_22_8_1_2.o ccsdt_lr_alpha2_9_22_8_2.o ccsdt_lr_alpha2_9_22_8_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_8_2_1.o ccsdt_lr_alpha2_9_22_8_2_2.o ccsdt_lr_alpha2_9_22_9.o ccsdt_lr_alpha2_9_22_9_1.o OFFSET_ccsdt_lr_alpha2_9_22_9_1.o ccsdt_lr_alpha2_9_22_9_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_9_1_1.o ccsdt_lr_alpha2_9_22_9_2.o ccsdt_lr_alpha2_9_22_9_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_9_2_1.o ccsdt_lr_alpha2_9_22_10.o ccsdt_lr_alpha2_9_22_10_1.o OFFSET_ccsdt_lr_alpha2_9_22_10_1.o ccsdt_lr_alpha2_9_22_10_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_10_1_1.o ccsdt_lr_alpha2_9_22_10_2.o ccsdt_lr_alpha2_9_22_10_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_10_2_1.o ccsdt_lr_alpha2_9_23.o ccsdt_lr_alpha2_9_23_1.o OFFSET_ccsdt_lr_alpha2_9_23_1.o ccsdt_lr_alpha2_9_23_1_1.o OFFSET_ccsdt_lr_alpha2_9_23_1_1.o ccsdt_lr_alpha2_9_23_2.o ccsdt_lr_alpha2_9_23_2_1.o OFFSET_ccsdt_lr_alpha2_9_23_2_1.o ccsdt_lr_alpha2_9_24.o ccsdt_lr_alpha2_9_24_1.o OFFSET_ccsdt_lr_alpha2_9_24_1.o ccsdt_lr_alpha2_9_24_1_1.o OFFSET_ccsdt_lr_alpha2_9_24_1_1.o ccsdt_lr_alpha2_9_24_2.o ccsdt_lr_alpha2_9_24_2_1.o OFFSET_ccsdt_lr_alpha2_9_24_2_1.o ccsdt_lr_alpha2_9_25.o ccsdt_lr_alpha2_9_25_1.o OFFSET_ccsdt_lr_alpha2_9_25_1.o ccsdt_lr_alpha2_9_25_1_1.o OFFSET_ccsdt_lr_alpha2_9_25_1_1.o ccsdt_lr_alpha2_9_25_2.o ccsdt_lr_alpha2_9_25_2_1.o OFFSET_ccsdt_lr_alpha2_9_25_2_1.o ccsdt_lr_alpha2_9_25_3.o ccsdt_lr_alpha2_9_25_3_1.o OFFSET_ccsdt_lr_alpha2_9_25_3_1.o ccsdt_lr_alpha2_9_25_4.o ccsdt_lr_alpha2_9_25_4_1.o OFFSET_ccsdt_lr_alpha2_9_25_4_1.o ccsdt_lr_alpha2_9_26.o ccsdt_lr_alpha2_9_26_1.o OFFSET_ccsdt_lr_alpha2_9_26_1.o ccsdt_lr_alpha2_9_26_1_1.o OFFSET_ccsdt_lr_alpha2_9_26_1_1.o ccsdt_lr_alpha2_9_26_2.o ccsdt_lr_alpha2_9_26_2_1.o OFFSET_ccsdt_lr_alpha2_9_26_2_1.o ccsdt_lr_alpha2_9_27.o ccsdt_lr_alpha2_9_27_1.o OFFSET_ccsdt_lr_alpha2_9_27_1.o ccsdt_lr_alpha2_9_27_1_1.o OFFSET_ccsdt_lr_alpha2_9_27_1_1.o ccsdt_lr_alpha2_9_27_2.o ccsdt_lr_alpha2_9_27_2_1.o OFFSET_ccsdt_lr_alpha2_9_27_2_1.o ccsdt_lr_alpha2_9_28.o ccsdt_lr_alpha2_9_28_1.o OFFSET_ccsdt_lr_alpha2_9_28_1.o ccsdt_lr_alpha2_9_28_1_1.o OFFSET_ccsdt_lr_alpha2_9_28_1_1.o ccsdt_lr_alpha2_9_28_1_2.o ccsdt_lr_alpha2_9_28_1_3.o ccsdt_lr_alpha2_9_28_1_3_1.o OFFSET_ccsdt_lr_alpha2_9_28_1_3_1.o ccsdt_lr_alpha2_9_28_1_3_2.o ccsdt_lr_alpha2_9_28_1_4.o ccsdt_lr_alpha2_9_28_1_4_1.o OFFSET_ccsdt_lr_alpha2_9_28_1_4_1.o ccsdt_lr_alpha2_9_28_1_4_2.o ccsdt_lr_alpha2_9_28_2.o ccsdt_lr_alpha2_9_28_2_1.o OFFSET_ccsdt_lr_alpha2_9_28_2_1.o ccsdt_lr_alpha2_9_28_3.o ccsdt_lr_alpha2_9_28_3_1.o OFFSET_ccsdt_lr_alpha2_9_28_3_1.o ccsdt_lr_alpha2_9_28_4.o ccsdt_lr_alpha2_9_28_4_1.o OFFSET_ccsdt_lr_alpha2_9_28_4_1.o ccsdt_lr_alpha2_9_28_4_2.o ccsdt_lr_alpha2_9_28_4_3.o ccsdt_lr_alpha2_9_28_4_3_1.o OFFSET_ccsdt_lr_alpha2_9_28_4_3_1.o ccsdt_lr_alpha2_9_28_4_3_2.o ccsdt_lr_alpha2_9_28_5.o ccsdt_lr_alpha2_9_28_5_1.o OFFSET_ccsdt_lr_alpha2_9_28_5_1.o ccsdt_lr_alpha2_9_28_6.o ccsdt_lr_alpha2_9_28_6_1.o OFFSET_ccsdt_lr_alpha2_9_28_6_1.o ccsdt_lr_alpha2_9_28_7.o ccsdt_lr_alpha2_9_28_7_1.o OFFSET_ccsdt_lr_alpha2_9_28_7_1.o ccsdt_lr_alpha2_9_28_7_1_1.o OFFSET_ccsdt_lr_alpha2_9_28_7_1_1.o ccsdt_lr_alpha2_9_28_7_2.o ccsdt_lr_alpha2_9_28_7_2_1.o OFFSET_ccsdt_lr_alpha2_9_28_7_2_1.o ccsdt_lr_alpha2_9_28_8.o ccsdt_lr_alpha2_9_28_8_1.o OFFSET_ccsdt_lr_alpha2_9_28_8_1.o ccsdt_lr_alpha2_9_28_8_1_1.o OFFSET_ccsdt_lr_alpha2_9_28_8_1_1.o ccsdt_lr_alpha2_9_29.o ccsdt_lr_alpha2_9_29_1.o OFFSET_ccsdt_lr_alpha2_9_29_1.o ccsdt_lr_alpha2_9_29_1_1.o OFFSET_ccsdt_lr_alpha2_9_29_1_1.o ccsdt_lr_alpha2_9_29_2.o ccsdt_lr_alpha2_9_29_2_1.o OFFSET_ccsdt_lr_alpha2_9_29_2_1.o ccsdt_lr_alpha2_9_30.o ccsdt_lr_alpha2_9_30_1.o OFFSET_ccsdt_lr_alpha2_9_30_1.o ccsdt_lr_alpha2_9_30_1_1.o OFFSET_ccsdt_lr_alpha2_9_30_1_1.o ccsdt_lr_alpha2_9_30_2.o ccsdt_lr_alpha2_9_30_2_1.o OFFSET_ccsdt_lr_alpha2_9_30_2_1.o ccsdt_lr_alpha2_9_31.o ccsdt_lr_alpha2_9_31_1.o OFFSET_ccsdt_lr_alpha2_9_31_1.o ccsdt_lr_alpha2_9_31_1_1.o OFFSET_ccsdt_lr_alpha2_9_31_1_1.o ccsdt_lr_alpha2_9_31_2.o ccsdt_lr_alpha2_9_31_2_1.o OFFSET_ccsdt_lr_alpha2_9_31_2_1.o ccsdt_lr_alpha2_9_31_3.o ccsdt_lr_alpha2_9_31_3_1.o OFFSET_ccsdt_lr_alpha2_9_31_3_1.o ccsdt_lr_alpha2_9_31_4.o ccsdt_lr_alpha2_9_31_4_1.o OFFSET_ccsdt_lr_alpha2_9_31_4_1.o ccsdt_lr_alpha2_9_32.o ccsdt_lr_alpha2_9_32_1.o OFFSET_ccsdt_lr_alpha2_9_32_1.o ccsdt_lr_alpha2_9_32_1_1.o OFFSET_ccsdt_lr_alpha2_9_32_1_1.o ccsdt_lr_alpha2_9_32_2.o ccsdt_lr_alpha2_9_32_2_1.o OFFSET_ccsdt_lr_alpha2_9_32_2_1.o ccsdt_lr_alpha2_9_33.o ccsdt_lr_alpha2_9_33_1.o OFFSET_ccsdt_lr_alpha2_9_33_1.o ccsdt_lr_alpha2_9_33_1_1.o OFFSET_ccsdt_lr_alpha2_9_33_1_1.o ccsdt_lr_alpha2_9_33_2.o ccsdt_lr_alpha2_9_33_2_1.o OFFSET_ccsdt_lr_alpha2_9_33_2_1.o ccsdt_lr_alpha2_9_34.o ccsdt_lr_alpha2_9_34_1.o OFFSET_ccsdt_lr_alpha2_9_34_1.o ccsdt_lr_alpha2_9_34_1_1.o OFFSET_ccsdt_lr_alpha2_9_34_1_1.o ccsdt_lr_alpha2_9_34_2.o ccsdt_lr_alpha2_9_34_2_1.o OFFSET_ccsdt_lr_alpha2_9_34_2_1.o ccsdt_lr_alpha2_10.o ccsdt_lr_alpha2_10_1.o OFFSET_ccsdt_lr_alpha2_10_1.o ccsdt_lr_alpha2_10_1_1.o OFFSET_ccsdt_lr_alpha2_10_1_1.o ccsdt_lr_alpha2_10_2.o ccsdt_lr_alpha2_10_2_1.o OFFSET_ccsdt_lr_alpha2_10_2_1.o ccsdt_lr_alpha2_10_3.o ccsdt_lr_alpha2_10_3_1.o OFFSET_ccsdt_lr_alpha2_10_3_1.o ccsdt_lr_alpha2_10_4.o ccsdt_lr_alpha2_10_4_1.o OFFSET_ccsdt_lr_alpha2_10_4_1.o ccsdt_lr_alpha2_10_5.o ccsdt_lr_alpha2_10_5_1.o OFFSET_ccsdt_lr_alpha2_10_5_1.o ccsdt_lr_alpha2_10_6.o ccsdt_lr_alpha2_10_6_1.o OFFSET_ccsdt_lr_alpha2_10_6_1.o ccsdt_lr_alpha2_10_7.o ccsdt_lr_alpha2_10_7_1.o OFFSET_ccsdt_lr_alpha2_10_7_1.o ccsdt_lr_alpha2_10_8.o ccsdt_lr_alpha2_10_8_1.o OFFSET_ccsdt_lr_alpha2_10_8_1.o ccsdt_lr_alpha2_10_9.o ccsdt_lr_alpha2_10_9_1.o OFFSET_ccsdt_lr_alpha2_10_9_1.o ccsdt_lr_alpha2_10_10.o ccsdt_lr_alpha2_10_10_1.o OFFSET_ccsdt_lr_alpha2_10_10_1.o ccsdt_lr_alpha2_10_11.o ccsdt_lr_alpha2_10_11_1.o OFFSET_ccsdt_lr_alpha2_10_11_1.o ccsdt_lr_alpha2_10_11_1_1.o OFFSET_ccsdt_lr_alpha2_10_11_1_1.o ccsdt_lr_alpha2_10_11_2.o ccsdt_lr_alpha2_10_11_2_1.o OFFSET_ccsdt_lr_alpha2_10_11_2_1.o ccsdt_lr_alpha2_10_11_3.o ccsdt_lr_alpha2_10_11_3_1.o OFFSET_ccsdt_lr_alpha2_10_11_3_1.o ccsdt_lr_alpha2_10_11_4.o ccsdt_lr_alpha2_10_11_4_1.o OFFSET_ccsdt_lr_alpha2_10_11_4_1.o ccsdt_lr_alpha2_10_12.o ccsdt_lr_alpha2_10_12_1.o OFFSET_ccsdt_lr_alpha2_10_12_1.o ccsdt_lr_alpha2_10_12_1_1.o OFFSET_ccsdt_lr_alpha2_10_12_1_1.o ccsdt_lr_alpha2_10_12_2.o ccsdt_lr_alpha2_10_12_2_1.o OFFSET_ccsdt_lr_alpha2_10_12_2_1.o ccsdt_lr_alpha2_10_12_3.o ccsdt_lr_alpha2_10_12_3_1.o OFFSET_ccsdt_lr_alpha2_10_12_3_1.o ccsdt_lr_alpha2_10_12_4.o ccsdt_lr_alpha2_10_12_4_1.o OFFSET_ccsdt_lr_alpha2_10_12_4_1.o ccsdt_lr_alpha2_10_13.o ccsdt_lr_alpha2_10_13_1.o OFFSET_ccsdt_lr_alpha2_10_13_1.o ccsdt_lr_alpha2_10_13_1_1.o OFFSET_ccsdt_lr_alpha2_10_13_1_1.o ccsdt_lr_alpha2_10_13_2.o ccsdt_lr_alpha2_10_13_2_1.o OFFSET_ccsdt_lr_alpha2_10_13_2_1.o ccsdt_lr_alpha2_10_13_3.o ccsdt_lr_alpha2_10_13_3_1.o OFFSET_ccsdt_lr_alpha2_10_13_3_1.o ccsdt_lr_alpha2_10_13_4.o ccsdt_lr_alpha2_10_13_4_1.o OFFSET_ccsdt_lr_alpha2_10_13_4_1.o ccsdt_lr_alpha2_11.o ccsdt_lr_alpha2_11_1.o OFFSET_ccsdt_lr_alpha2_11_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' Making all in ccsdt_yr make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' Compiling ccsdt_lambda_o1.F... Compiling ccsdt_lambda_o1_1.F... Compiling ccsdt_lambda_o1_1_1.F... Compiling OFFSET_ccsdt_lambda_o1_1_1.F... Compiling ccsdt_lambda_o1_1_2.F... Compiling ccsdt_lambda_o1_2.F... Compiling ccsdt_lambda_o1_3.F... Compiling ccsdt_lambda_o1_4.F... Compiling ccsdt_lambda_o1_4_1.F... Compiling OFFSET_ccsdt_lambda_o1_4_1.F... Compiling ccsdt_lambda_o1_4_2.F... Compiling ccsdt_lambda_o1_4_3.F... Compiling ccsdt_lambda_o1_5.F... Compiling ccsdt_lambda_o1_5_1.F... Compiling OFFSET_ccsdt_lambda_o1_5_1.F... Compiling ccsdt_lambda_o1_6.F... Compiling ccsdt_lambda_o1_6_1.F... Compiling OFFSET_ccsdt_lambda_o1_6_1.F... Compiling ccsdt_lambda_o2.F... Compiling ccsdt_lambda_o2_1.F... Compiling ccsdt_lambda_o2_2.F... Compiling ccsdt_lambda_o2_2_1.F... Compiling OFFSET_ccsdt_lambda_o2_2_1.F... Compiling ccsdt_lambda_o2_2_2.F... Compiling ccsdt_lambda_o2_3.F... Compiling ccsdt_lambda_o2_4.F... Compiling ccsdt_lambda_o2_4_1.F... Compiling OFFSET_ccsdt_lambda_o2_4_1.F... Compiling ccsdt_lambda_o2_4_2.F... Compiling ccsdt_lambda_o2_5.F... Compiling ccsdt_lambda_o2_5_1.F... Compiling OFFSET_ccsdt_lambda_o2_5_1.F... Compiling ccsdt_lambda_o3.F... Compiling ccsdt_lambda_o3_1.F... Compiling ccsdt_lambda_o3_2.F... Compiling ccsdt_lambda_o3_3.F... Compiling ccsdt_lambda_o3_4.F... Compiling ccsdt_lambda_o3_4_1.F... Compiling OFFSET_ccsdt_lambda_o3_4_1.F... Compiling ccsdt_lambda_o3_5.F... Compiling ccsdt_lambda_o3_5_1.F... Compiling OFFSET_ccsdt_lambda_o3_5_1.F... Compiling ccsdt_y_tr1.F... Compiling ccsdt_y_tr1_1.F... Compiling ccsdt_y_tr1_1_1.F... Compiling OFFSET_ccsdt_y_tr1_1_1.F... Compiling ccsdt_y_tr1_1_1_1.F... Compiling OFFSET_ccsdt_y_tr1_1_1_1.F... Compiling ccsdt_y_tr1_1_1_2.F... Compiling ccsdt_y_tr1_1_2.F... Compiling ccsdt_y_tr1_1_3.F... Compiling ccsdt_y_tr1_1_4.F... Compiling ccsdt_y_tr1_1_4_1.F... Compiling OFFSET_ccsdt_y_tr1_1_4_1.F... Compiling ccsdt_y_tr1_2.F... Compiling ccsdt_y_tr1_2_1.F... Compiling OFFSET_ccsdt_y_tr1_2_1.F... Compiling ccsdt_y_tr1_2_2.F... Compiling ccsdt_y_tr1_2_3.F... Compiling ccsdt_y_tr1_3.F... Compiling ccsdt_y_tr1_3_1.F... Compiling OFFSET_ccsdt_y_tr1_3_1.F... Compiling ccsdt_y_tr1_3_2.F... Compiling ccsdt_y_tr1_3_3.F... Compiling ccsdt_y_tr1_4.F... Compiling ccsdt_y_tr1_4_1.F... Compiling OFFSET_ccsdt_y_tr1_4_1.F... Compiling ccsdt_y_tr1_4_2.F... Compiling ccsdt_y_tr1_4_3.F... Compiling ccsdt_y_tr1_5.F... Compiling ccsdt_y_tr1_5_1.F... Compiling OFFSET_ccsdt_y_tr1_5_1.F... Compiling ccsdt_y_tr1_5_2.F... Compiling ccsdt_y_tr1_5_2_1.F... Compiling OFFSET_ccsdt_y_tr1_5_2_1.F... Compiling ccsdt_y_tr1_5_3.F... Compiling ccsdt_y_tr1_5_3_1.F... Compiling OFFSET_ccsdt_y_tr1_5_3_1.F... Compiling ccsdt_y_tr1_6.F... Compiling ccsdt_y_tr1_6_1.F... Compiling OFFSET_ccsdt_y_tr1_6_1.F... Compiling ccsdt_y_tr1_6_1_1.F... Compiling OFFSET_ccsdt_y_tr1_6_1_1.F... Compiling ccsdt_y_tr1_6_1_2.F... Compiling ccsdt_y_tr1_6_1_2_1.F... Compiling OFFSET_ccsdt_y_tr1_6_1_2_1.F... Compiling ccsdt_y_tr1_6_1_2_2.F... Compiling ccsdt_y_tr1_6_1_3.F... Compiling ccsdt_y_tr1_6_2.F... Compiling ccsdt_y_tr1_6_2_1.F... Compiling OFFSET_ccsdt_y_tr1_6_2_1.F... Compiling ccsdt_y_tr1_6_2_2.F... Compiling ccsdt_y_tr1_6_3.F... Compiling ccsdt_y_tr1_6_3_1.F... Compiling OFFSET_ccsdt_y_tr1_6_3_1.F... Compiling ccsdt_y_tr1_6_3_2.F... Compiling ccsdt_y_tr1_6_4.F... Compiling ccsdt_y_tr1_6_4_1.F... Compiling OFFSET_ccsdt_y_tr1_6_4_1.F... Compiling ccsdt_y_tr1_6_4_2.F... Compiling ccsdt_y_tr1_6_5.F... Compiling ccsdt_y_tr1_6_6.F... Compiling ccsdt_y_tr1_6_7.F... Compiling ccsdt_y_tr1_6_7_1.F... Compiling OFFSET_ccsdt_y_tr1_6_7_1.F... Compiling ccsdt_y_tr1_6_7_1_1.F... Compiling OFFSET_ccsdt_y_tr1_6_7_1_1.F... Compiling ccsdt_y_tr1_6_7_1_2.F... Compiling ccsdt_y_tr1_6_7_2.F... Compiling ccsdt_y_tr1_6_7_3.F... Compiling ccsdt_y_tr1_6_7_3_1.F... Compiling OFFSET_ccsdt_y_tr1_6_7_3_1.F... Compiling ccsdt_y_tr1_6_8.F... Compiling ccsdt_y_tr1_6_8_1.F... Compiling OFFSET_ccsdt_y_tr1_6_8_1.F... Compiling ccsdt_y_tr1_6_9.F... Compiling ccsdt_y_tr1_6_9_1.F... Compiling OFFSET_ccsdt_y_tr1_6_9_1.F... Compiling ccsdt_y_tr1_6_10.F... Compiling ccsdt_y_tr1_6_10_1.F... Compiling OFFSET_ccsdt_y_tr1_6_10_1.F... Compiling ccsdt_y_tr1_7.F... Compiling ccsdt_y_tr1_7_1.F... Compiling OFFSET_ccsdt_y_tr1_7_1.F... Compiling ccsdt_y_tr1_7_2.F... Compiling ccsdt_y_tr1_8.F... Compiling ccsdt_y_tr1_8_1.F... Compiling OFFSET_ccsdt_y_tr1_8_1.F... Compiling ccsdt_y_tr1_9.F... Compiling ccsdt_y_tr1_9_1.F... Compiling OFFSET_ccsdt_y_tr1_9_1.F... Compiling ccsdt_y_tr1_9_2.F... Compiling ccsdt_y_tr1_9_3.F... Compiling ccsdt_y_tr1_9_3_1.F... Compiling OFFSET_ccsdt_y_tr1_9_3_1.F... Compiling ccsdt_y_tr1_9_3_2.F... Compiling ccsdt_y_tr1_9_3_3.F... Compiling ccsdt_y_tr1_9_4.F... Compiling ccsdt_y_tr1_9_4_1.F... Compiling OFFSET_ccsdt_y_tr1_9_4_1.F... Compiling ccsdt_y_tr1_9_4_2.F... Compiling ccsdt_y_tr1_9_4_3.F... Compiling ccsdt_y_tr1_9_5.F... Compiling ccsdt_y_tr1_9_5_1.F... Compiling OFFSET_ccsdt_y_tr1_9_5_1.F... Compiling ccsdt_y_tr1_9_5_2.F... Compiling ccsdt_y_tr1_9_5_2_1.F... Compiling OFFSET_ccsdt_y_tr1_9_5_2_1.F... Compiling ccsdt_y_tr1_9_5_2_2.F... Compiling ccsdt_y_tr1_9_6.F... Compiling ccsdt_y_tr1_9_6_1.F... Compiling OFFSET_ccsdt_y_tr1_9_6_1.F... Compiling ccsdt_y_tr1_9_7.F... Compiling ccsdt_y_tr1_9_7_1.F... Compiling OFFSET_ccsdt_y_tr1_9_7_1.F... Compiling ccsdt_y_tr1_9_7_2.F... Compiling ccsdt_y_tr1_9_7_2_1.F... Compiling OFFSET_ccsdt_y_tr1_9_7_2_1.F... Compiling ccsdt_y_tr1_9_7_2_2.F... Compiling ccsdt_y_tr1_9_8.F... Compiling ccsdt_y_tr1_9_8_1.F... Compiling OFFSET_ccsdt_y_tr1_9_8_1.F... Compiling ccsdt_y_tr1_10.F... Compiling ccsdt_y_tr1_10_1.F... Compiling OFFSET_ccsdt_y_tr1_10_1.F... Compiling ccsdt_y_tr1_10_2.F... Compiling ccsdt_y_tr1_10_3.F... Compiling ccsdt_y_tr1_10_3_1.F... Compiling OFFSET_ccsdt_y_tr1_10_3_1.F... Compiling ccsdt_y_tr1_10_3_2.F... Compiling ccsdt_y_tr1_10_3_3.F... Compiling ccsdt_y_tr1_10_3_3_1.F... Compiling OFFSET_ccsdt_y_tr1_10_3_3_1.F... Compiling ccsdt_y_tr1_10_3_3_2.F... Compiling ccsdt_y_tr1_10_3_4.F... Compiling ccsdt_y_tr1_10_3_4_1.F... Compiling OFFSET_ccsdt_y_tr1_10_3_4_1.F... Compiling ccsdt_y_tr1_10_3_4_2.F... Compiling ccsdt_y_tr1_10_4.F... Compiling ccsdt_y_tr1_10_4_1.F... Compiling OFFSET_ccsdt_y_tr1_10_4_1.F... Compiling ccsdt_y_tr1_10_5.F... Compiling ccsdt_y_tr1_10_5_1.F... Compiling OFFSET_ccsdt_y_tr1_10_5_1.F... Compiling ccsdt_y_tr1_10_5_2.F... Compiling ccsdt_y_tr1_10_6.F... Compiling ccsdt_y_tr1_10_6_1.F... Compiling OFFSET_ccsdt_y_tr1_10_6_1.F... Compiling ccsdt_y_tr1_10_7.F... Compiling ccsdt_y_tr1_10_7_1.F... Compiling OFFSET_ccsdt_y_tr1_10_7_1.F... Compiling ccsdt_y_tr1_10_8.F... Compiling ccsdt_y_tr1_10_8_1.F... Compiling OFFSET_ccsdt_y_tr1_10_8_1.F... Compiling ccsdt_y_tr1_10_8_1_1.F... Compiling OFFSET_ccsdt_y_tr1_10_8_1_1.F... Compiling ccsdt_y_tr1_10_8_1_2.F... Compiling ccsdt_y_tr1_10_9.F... Compiling ccsdt_y_tr1_10_9_1.F... Compiling OFFSET_ccsdt_y_tr1_10_9_1.F... Compiling ccsdt_y_tr1_10_9_2.F... Compiling ccsdt_y_tr1_10_9_3.F... Compiling ccsdt_y_tr1_10_9_3_1.F... Compiling OFFSET_ccsdt_y_tr1_10_9_3_1.F... Compiling ccsdt_y_tr1_10_9_3_2.F... Compiling ccsdt_y_tr1_10_10.F... Compiling ccsdt_y_tr1_10_10_1.F... Compiling OFFSET_ccsdt_y_tr1_10_10_1.F... Compiling ccsdt_y_tr1_10_11.F... Compiling ccsdt_y_tr1_10_11_1.F... Compiling OFFSET_ccsdt_y_tr1_10_11_1.F... Compiling ccsdt_y_tr1_10_11_2.F... Compiling ccsdt_y_tr1_10_12.F... Compiling ccsdt_y_tr1_10_12_1.F... Compiling OFFSET_ccsdt_y_tr1_10_12_1.F... Compiling ccsdt_y_tr1_10_13.F... Compiling ccsdt_y_tr1_10_13_1.F... Compiling OFFSET_ccsdt_y_tr1_10_13_1.F... Compiling ccsdt_y_tr1_10_14.F... Compiling ccsdt_y_tr1_10_14_1.F... Compiling OFFSET_ccsdt_y_tr1_10_14_1.F... Compiling ccsdt_y_tr1_10_14_1_1.F... Compiling OFFSET_ccsdt_y_tr1_10_14_1_1.F... Compiling ccsdt_y_tr1_10_14_1_2.F... Compiling ccsdt_y_tr1_10_15.F... Compiling ccsdt_y_tr1_10_15_1.F... Compiling OFFSET_ccsdt_y_tr1_10_15_1.F... Compiling ccsdt_y_tr1_10_15_1_1.F... Compiling OFFSET_ccsdt_y_tr1_10_15_1_1.F... Compiling ccsdt_y_tr1_10_16.F... Compiling ccsdt_y_tr1_10_16_1.F... Compiling OFFSET_ccsdt_y_tr1_10_16_1.F... Compiling ccsdt_y_tr1_10_16_1_1.F... Compiling OFFSET_ccsdt_y_tr1_10_16_1_1.F... Compiling ccsdt_y_tr1_10_16_2.F... Compiling ccsdt_y_tr1_10_16_2_1.F... Compiling OFFSET_ccsdt_y_tr1_10_16_2_1.F... Compiling ccsdt_y_tr1_11.F... Compiling ccsdt_y_tr1_11_1.F... Compiling OFFSET_ccsdt_y_tr1_11_1.F... Compiling ccsdt_y_tr1_11_2.F... Compiling ccsdt_y_tr1_11_3.F... Compiling ccsdt_y_tr1_11_3_1.F... Compiling OFFSET_ccsdt_y_tr1_11_3_1.F... Compiling ccsdt_y_tr1_11_4.F... Compiling ccsdt_y_tr1_11_4_1.F... Compiling OFFSET_ccsdt_y_tr1_11_4_1.F... Compiling ccsdt_y_tr1_11_5.F... Compiling ccsdt_y_tr1_11_5_1.F... Compiling OFFSET_ccsdt_y_tr1_11_5_1.F... Compiling ccsdt_y_tr1_11_6.F... Compiling ccsdt_y_tr1_11_6_1.F... Compiling OFFSET_ccsdt_y_tr1_11_6_1.F... Compiling ccsdt_y_tr1_12.F... 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Compiling ccsdt_y_tr1_14_1_4_1.F... Compiling OFFSET_ccsdt_y_tr1_14_1_4_1.F... Compiling ccsdt_y_tr1_14_1_4_2.F... Compiling ccsdt_y_tr1_14_2.F... Compiling ccsdt_y_tr1_14_2_1.F... Compiling OFFSET_ccsdt_y_tr1_14_2_1.F... Compiling ccsdt_y_tr1_14_2_2.F... Compiling ccsdt_y_tr1_14_3.F... Compiling ccsdt_y_tr1_14_3_1.F... Compiling OFFSET_ccsdt_y_tr1_14_3_1.F... Compiling ccsdt_y_tr1_14_3_2.F... Compiling ccsdt_y_tr1_14_4.F... Compiling ccsdt_y_tr1_14_5.F... Compiling ccsdt_y_tr1_14_5_1.F... Compiling OFFSET_ccsdt_y_tr1_14_5_1.F... Compiling ccsdt_y_tr1_14_6.F... Compiling ccsdt_y_tr1_14_6_1.F... Compiling OFFSET_ccsdt_y_tr1_14_6_1.F... Compiling ccsdt_y_tr1_14_6_2.F... Compiling ccsdt_y_tr1_14_6_3.F... Compiling ccsdt_y_tr1_14_6_3_1.F... Compiling OFFSET_ccsdt_y_tr1_14_6_3_1.F... Compiling ccsdt_y_tr1_14_6_3_2.F... Compiling ccsdt_y_tr1_14_7.F... Compiling ccsdt_y_tr1_14_7_1.F... Compiling OFFSET_ccsdt_y_tr1_14_7_1.F... Compiling ccsdt_y_tr1_14_8.F... Compiling ccsdt_y_tr1_14_8_1.F... Compiling OFFSET_ccsdt_y_tr1_14_8_1.F... Compiling ccsdt_y_tr1_14_9.F... Compiling ccsdt_y_tr1_14_9_1.F... Compiling OFFSET_ccsdt_y_tr1_14_9_1.F... Compiling ccsdt_y_tr1_14_10.F... Compiling ccsdt_y_tr1_14_10_1.F... Compiling OFFSET_ccsdt_y_tr1_14_10_1.F... Compiling ccsdt_y_tr1_14_10_1_1.F... Compiling OFFSET_ccsdt_y_tr1_14_10_1_1.F... Compiling ccsdt_y_tr1_14_10_2.F... Compiling ccsdt_y_tr1_14_10_2_1.F... Compiling OFFSET_ccsdt_y_tr1_14_10_2_1.F... Compiling ccsdt_y_tr1_14_11.F... Compiling ccsdt_y_tr1_14_11_1.F... Compiling OFFSET_ccsdt_y_tr1_14_11_1.F... Compiling ccsdt_y_tr1_14_11_1_1.F... Compiling OFFSET_ccsdt_y_tr1_14_11_1_1.F... Compiling ccsdt_y_tr1_15.F... Compiling ccsdt_y_tr1_15_1.F... Compiling OFFSET_ccsdt_y_tr1_15_1.F... Compiling ccsdt_y_tr1_16.F... Compiling ccsdt_y_tr1_16_1.F... Compiling OFFSET_ccsdt_y_tr1_16_1.F... Compiling ccsdt_y_tr1_16_1_1.F... Compiling OFFSET_ccsdt_y_tr1_16_1_1.F... Compiling ccsdt_y_tr1_16_2.F... Compiling ccsdt_y_tr1_16_2_1.F... 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Compiling OFFSET_ccsdt_y_tr3_12_3_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_lambda_o1.o ccsdt_lambda_o1_1.o ccsdt_lambda_o1_1_1.o OFFSET_ccsdt_lambda_o1_1_1.o ccsdt_lambda_o1_1_2.o ccsdt_lambda_o1_2.o ccsdt_lambda_o1_3.o ccsdt_lambda_o1_4.o ccsdt_lambda_o1_4_1.o OFFSET_ccsdt_lambda_o1_4_1.o ccsdt_lambda_o1_4_2.o ccsdt_lambda_o1_4_3.o ccsdt_lambda_o1_5.o ccsdt_lambda_o1_5_1.o OFFSET_ccsdt_lambda_o1_5_1.o ccsdt_lambda_o1_6.o ccsdt_lambda_o1_6_1.o OFFSET_ccsdt_lambda_o1_6_1.o ccsdt_lambda_o2.o ccsdt_lambda_o2_1.o ccsdt_lambda_o2_2.o ccsdt_lambda_o2_2_1.o OFFSET_ccsdt_lambda_o2_2_1.o ccsdt_lambda_o2_2_2.o ccsdt_lambda_o2_3.o ccsdt_lambda_o2_4.o ccsdt_lambda_o2_4_1.o OFFSET_ccsdt_lambda_o2_4_1.o ccsdt_lambda_o2_4_2.o ccsdt_lambda_o2_5.o ccsdt_lambda_o2_5_1.o OFFSET_ccsdt_lambda_o2_5_1.o ccsdt_lambda_o3.o ccsdt_lambda_o3_1.o ccsdt_lambda_o3_2.o ccsdt_lambda_o3_3.o ccsdt_lambda_o3_4.o ccsdt_lambda_o3_4_1.o OFFSET_ccsdt_lambda_o3_4_1.o ccsdt_lambda_o3_5.o ccsdt_lambda_o3_5_1.o OFFSET_ccsdt_lambda_o3_5_1.o ccsdt_y_tr1.o ccsdt_y_tr1_1.o ccsdt_y_tr1_1_1.o OFFSET_ccsdt_y_tr1_1_1.o ccsdt_y_tr1_1_1_1.o OFFSET_ccsdt_y_tr1_1_1_1.o ccsdt_y_tr1_1_1_2.o ccsdt_y_tr1_1_2.o ccsdt_y_tr1_1_3.o ccsdt_y_tr1_1_4.o ccsdt_y_tr1_1_4_1.o OFFSET_ccsdt_y_tr1_1_4_1.o ccsdt_y_tr1_2.o ccsdt_y_tr1_2_1.o OFFSET_ccsdt_y_tr1_2_1.o ccsdt_y_tr1_2_2.o ccsdt_y_tr1_2_3.o ccsdt_y_tr1_3.o ccsdt_y_tr1_3_1.o OFFSET_ccsdt_y_tr1_3_1.o ccsdt_y_tr1_3_2.o ccsdt_y_tr1_3_3.o ccsdt_y_tr1_4.o ccsdt_y_tr1_4_1.o OFFSET_ccsdt_y_tr1_4_1.o ccsdt_y_tr1_4_2.o ccsdt_y_tr1_4_3.o ccsdt_y_tr1_5.o ccsdt_y_tr1_5_1.o OFFSET_ccsdt_y_tr1_5_1.o ccsdt_y_tr1_5_2.o ccsdt_y_tr1_5_2_1.o OFFSET_ccsdt_y_tr1_5_2_1.o ccsdt_y_tr1_5_3.o ccsdt_y_tr1_5_3_1.o OFFSET_ccsdt_y_tr1_5_3_1.o ccsdt_y_tr1_6.o ccsdt_y_tr1_6_1.o OFFSET_ccsdt_y_tr1_6_1.o ccsdt_y_tr1_6_1_1.o OFFSET_ccsdt_y_tr1_6_1_1.o ccsdt_y_tr1_6_1_2.o ccsdt_y_tr1_6_1_2_1.o OFFSET_ccsdt_y_tr1_6_1_2_1.o ccsdt_y_tr1_6_1_2_2.o ccsdt_y_tr1_6_1_3.o ccsdt_y_tr1_6_2.o ccsdt_y_tr1_6_2_1.o OFFSET_ccsdt_y_tr1_6_2_1.o ccsdt_y_tr1_6_2_2.o ccsdt_y_tr1_6_3.o ccsdt_y_tr1_6_3_1.o OFFSET_ccsdt_y_tr1_6_3_1.o ccsdt_y_tr1_6_3_2.o ccsdt_y_tr1_6_4.o ccsdt_y_tr1_6_4_1.o OFFSET_ccsdt_y_tr1_6_4_1.o ccsdt_y_tr1_6_4_2.o ccsdt_y_tr1_6_5.o ccsdt_y_tr1_6_6.o ccsdt_y_tr1_6_7.o ccsdt_y_tr1_6_7_1.o OFFSET_ccsdt_y_tr1_6_7_1.o ccsdt_y_tr1_6_7_1_1.o OFFSET_ccsdt_y_tr1_6_7_1_1.o ccsdt_y_tr1_6_7_1_2.o ccsdt_y_tr1_6_7_2.o ccsdt_y_tr1_6_7_3.o ccsdt_y_tr1_6_7_3_1.o OFFSET_ccsdt_y_tr1_6_7_3_1.o ccsdt_y_tr1_6_8.o ccsdt_y_tr1_6_8_1.o OFFSET_ccsdt_y_tr1_6_8_1.o ccsdt_y_tr1_6_9.o ccsdt_y_tr1_6_9_1.o OFFSET_ccsdt_y_tr1_6_9_1.o ccsdt_y_tr1_6_10.o ccsdt_y_tr1_6_10_1.o OFFSET_ccsdt_y_tr1_6_10_1.o ccsdt_y_tr1_7.o ccsdt_y_tr1_7_1.o OFFSET_ccsdt_y_tr1_7_1.o ccsdt_y_tr1_7_2.o ccsdt_y_tr1_8.o ccsdt_y_tr1_8_1.o OFFSET_ccsdt_y_tr1_8_1.o ccsdt_y_tr1_9.o ccsdt_y_tr1_9_1.o OFFSET_ccsdt_y_tr1_9_1.o ccsdt_y_tr1_9_2.o ccsdt_y_tr1_9_3.o ccsdt_y_tr1_9_3_1.o OFFSET_ccsdt_y_tr1_9_3_1.o ccsdt_y_tr1_9_3_2.o ccsdt_y_tr1_9_3_3.o ccsdt_y_tr1_9_4.o ccsdt_y_tr1_9_4_1.o OFFSET_ccsdt_y_tr1_9_4_1.o ccsdt_y_tr1_9_4_2.o ccsdt_y_tr1_9_4_3.o ccsdt_y_tr1_9_5.o ccsdt_y_tr1_9_5_1.o OFFSET_ccsdt_y_tr1_9_5_1.o ccsdt_y_tr1_9_5_2.o ccsdt_y_tr1_9_5_2_1.o OFFSET_ccsdt_y_tr1_9_5_2_1.o ccsdt_y_tr1_9_5_2_2.o ccsdt_y_tr1_9_6.o ccsdt_y_tr1_9_6_1.o OFFSET_ccsdt_y_tr1_9_6_1.o ccsdt_y_tr1_9_7.o ccsdt_y_tr1_9_7_1.o OFFSET_ccsdt_y_tr1_9_7_1.o ccsdt_y_tr1_9_7_2.o ccsdt_y_tr1_9_7_2_1.o OFFSET_ccsdt_y_tr1_9_7_2_1.o ccsdt_y_tr1_9_7_2_2.o ccsdt_y_tr1_9_8.o ccsdt_y_tr1_9_8_1.o OFFSET_ccsdt_y_tr1_9_8_1.o ccsdt_y_tr1_10.o ccsdt_y_tr1_10_1.o OFFSET_ccsdt_y_tr1_10_1.o ccsdt_y_tr1_10_2.o ccsdt_y_tr1_10_3.o ccsdt_y_tr1_10_3_1.o OFFSET_ccsdt_y_tr1_10_3_1.o ccsdt_y_tr1_10_3_2.o ccsdt_y_tr1_10_3_3.o ccsdt_y_tr1_10_3_3_1.o OFFSET_ccsdt_y_tr1_10_3_3_1.o ccsdt_y_tr1_10_3_3_2.o ccsdt_y_tr1_10_3_4.o ccsdt_y_tr1_10_3_4_1.o OFFSET_ccsdt_y_tr1_10_3_4_1.o ccsdt_y_tr1_10_3_4_2.o ccsdt_y_tr1_10_4.o ccsdt_y_tr1_10_4_1.o OFFSET_ccsdt_y_tr1_10_4_1.o ccsdt_y_tr1_10_5.o ccsdt_y_tr1_10_5_1.o OFFSET_ccsdt_y_tr1_10_5_1.o ccsdt_y_tr1_10_5_2.o ccsdt_y_tr1_10_6.o ccsdt_y_tr1_10_6_1.o OFFSET_ccsdt_y_tr1_10_6_1.o ccsdt_y_tr1_10_7.o ccsdt_y_tr1_10_7_1.o OFFSET_ccsdt_y_tr1_10_7_1.o ccsdt_y_tr1_10_8.o ccsdt_y_tr1_10_8_1.o OFFSET_ccsdt_y_tr1_10_8_1.o ccsdt_y_tr1_10_8_1_1.o OFFSET_ccsdt_y_tr1_10_8_1_1.o ccsdt_y_tr1_10_8_1_2.o ccsdt_y_tr1_10_9.o ccsdt_y_tr1_10_9_1.o OFFSET_ccsdt_y_tr1_10_9_1.o ccsdt_y_tr1_10_9_2.o ccsdt_y_tr1_10_9_3.o ccsdt_y_tr1_10_9_3_1.o OFFSET_ccsdt_y_tr1_10_9_3_1.o ccsdt_y_tr1_10_9_3_2.o ccsdt_y_tr1_10_10.o ccsdt_y_tr1_10_10_1.o OFFSET_ccsdt_y_tr1_10_10_1.o ccsdt_y_tr1_10_11.o ccsdt_y_tr1_10_11_1.o OFFSET_ccsdt_y_tr1_10_11_1.o ccsdt_y_tr1_10_11_2.o ccsdt_y_tr1_10_12.o ccsdt_y_tr1_10_12_1.o OFFSET_ccsdt_y_tr1_10_12_1.o ccsdt_y_tr1_10_13.o ccsdt_y_tr1_10_13_1.o OFFSET_ccsdt_y_tr1_10_13_1.o ccsdt_y_tr1_10_14.o ccsdt_y_tr1_10_14_1.o OFFSET_ccsdt_y_tr1_10_14_1.o ccsdt_y_tr1_10_14_1_1.o OFFSET_ccsdt_y_tr1_10_14_1_1.o ccsdt_y_tr1_10_14_1_2.o ccsdt_y_tr1_10_15.o ccsdt_y_tr1_10_15_1.o OFFSET_ccsdt_y_tr1_10_15_1.o ccsdt_y_tr1_10_15_1_1.o OFFSET_ccsdt_y_tr1_10_15_1_1.o ccsdt_y_tr1_10_16.o ccsdt_y_tr1_10_16_1.o OFFSET_ccsdt_y_tr1_10_16_1.o ccsdt_y_tr1_10_16_1_1.o OFFSET_ccsdt_y_tr1_10_16_1_1.o ccsdt_y_tr1_10_16_2.o ccsdt_y_tr1_10_16_2_1.o OFFSET_ccsdt_y_tr1_10_16_2_1.o ccsdt_y_tr1_11.o ccsdt_y_tr1_11_1.o OFFSET_ccsdt_y_tr1_11_1.o ccsdt_y_tr1_11_2.o ccsdt_y_tr1_11_3.o ccsdt_y_tr1_11_3_1.o OFFSET_ccsdt_y_tr1_11_3_1.o ccsdt_y_tr1_11_4.o ccsdt_y_tr1_11_4_1.o OFFSET_ccsdt_y_tr1_11_4_1.o ccsdt_y_tr1_11_5.o ccsdt_y_tr1_11_5_1.o OFFSET_ccsdt_y_tr1_11_5_1.o ccsdt_y_tr1_11_6.o ccsdt_y_tr1_11_6_1.o OFFSET_ccsdt_y_tr1_11_6_1.o ccsdt_y_tr1_12.o ccsdt_y_tr1_12_1.o OFFSET_ccsdt_y_tr1_12_1.o ccsdt_y_tr1_12_2.o ccsdt_y_tr1_12_3.o ccsdt_y_tr1_12_3_1.o OFFSET_ccsdt_y_tr1_12_3_1.o ccsdt_y_tr1_12_3_2.o ccsdt_y_tr1_12_4.o ccsdt_y_tr1_12_4_1.o OFFSET_ccsdt_y_tr1_12_4_1.o ccsdt_y_tr1_12_4_2.o ccsdt_y_tr1_12_5.o ccsdt_y_tr1_12_5_1.o OFFSET_ccsdt_y_tr1_12_5_1.o ccsdt_y_tr1_12_6.o ccsdt_y_tr1_12_6_1.o OFFSET_ccsdt_y_tr1_12_6_1.o ccsdt_y_tr1_13.o ccsdt_y_tr1_13_1.o OFFSET_ccsdt_y_tr1_13_1.o ccsdt_y_tr1_14.o ccsdt_y_tr1_14_1.o OFFSET_ccsdt_y_tr1_14_1.o ccsdt_y_tr1_14_1_1.o OFFSET_ccsdt_y_tr1_14_1_1.o ccsdt_y_tr1_14_1_2.o ccsdt_y_tr1_14_1_3.o ccsdt_y_tr1_14_1_4.o ccsdt_y_tr1_14_1_4_1.o OFFSET_ccsdt_y_tr1_14_1_4_1.o ccsdt_y_tr1_14_1_4_2.o ccsdt_y_tr1_14_2.o ccsdt_y_tr1_14_2_1.o OFFSET_ccsdt_y_tr1_14_2_1.o ccsdt_y_tr1_14_2_2.o ccsdt_y_tr1_14_3.o ccsdt_y_tr1_14_3_1.o OFFSET_ccsdt_y_tr1_14_3_1.o ccsdt_y_tr1_14_3_2.o ccsdt_y_tr1_14_4.o ccsdt_y_tr1_14_5.o ccsdt_y_tr1_14_5_1.o OFFSET_ccsdt_y_tr1_14_5_1.o ccsdt_y_tr1_14_6.o ccsdt_y_tr1_14_6_1.o OFFSET_ccsdt_y_tr1_14_6_1.o ccsdt_y_tr1_14_6_2.o ccsdt_y_tr1_14_6_3.o ccsdt_y_tr1_14_6_3_1.o OFFSET_ccsdt_y_tr1_14_6_3_1.o ccsdt_y_tr1_14_6_3_2.o ccsdt_y_tr1_14_7.o ccsdt_y_tr1_14_7_1.o OFFSET_ccsdt_y_tr1_14_7_1.o ccsdt_y_tr1_14_8.o ccsdt_y_tr1_14_8_1.o OFFSET_ccsdt_y_tr1_14_8_1.o ccsdt_y_tr1_14_9.o ccsdt_y_tr1_14_9_1.o OFFSET_ccsdt_y_tr1_14_9_1.o ccsdt_y_tr1_14_10.o ccsdt_y_tr1_14_10_1.o OFFSET_ccsdt_y_tr1_14_10_1.o ccsdt_y_tr1_14_10_1_1.o OFFSET_ccsdt_y_tr1_14_10_1_1.o ccsdt_y_tr1_14_10_2.o ccsdt_y_tr1_14_10_2_1.o OFFSET_ccsdt_y_tr1_14_10_2_1.o ccsdt_y_tr1_14_11.o ccsdt_y_tr1_14_11_1.o OFFSET_ccsdt_y_tr1_14_11_1.o ccsdt_y_tr1_14_11_1_1.o OFFSET_ccsdt_y_tr1_14_11_1_1.o ccsdt_y_tr1_15.o ccsdt_y_tr1_15_1.o OFFSET_ccsdt_y_tr1_15_1.o ccsdt_y_tr1_16.o ccsdt_y_tr1_16_1.o OFFSET_ccsdt_y_tr1_16_1.o ccsdt_y_tr1_16_1_1.o OFFSET_ccsdt_y_tr1_16_1_1.o ccsdt_y_tr1_16_2.o ccsdt_y_tr1_16_2_1.o OFFSET_ccsdt_y_tr1_16_2_1.o ccsdt_y_tr1_17.o ccsdt_y_tr1_17_1.o OFFSET_ccsdt_y_tr1_17_1.o ccsdt_y_tr1_17_1_1.o OFFSET_ccsdt_y_tr1_17_1_1.o ccsdt_y_tr1_17_1_1_1.o OFFSET_ccsdt_y_tr1_17_1_1_1.o ccsdt_y_tr1_17_1_1_2.o ccsdt_y_tr1_17_2.o ccsdt_y_tr1_17_2_1.o OFFSET_ccsdt_y_tr1_17_2_1.o ccsdt_y_tr1_17_2_1_1.o OFFSET_ccsdt_y_tr1_17_2_1_1.o ccsdt_y_tr1_17_2_1_2.o ccsdt_y_tr1_17_3.o ccsdt_y_tr1_17_3_1.o OFFSET_ccsdt_y_tr1_17_3_1.o ccsdt_y_tr1_17_3_1_1.o OFFSET_ccsdt_y_tr1_17_3_1_1.o ccsdt_y_tr1_17_4.o ccsdt_y_tr1_17_4_1.o OFFSET_ccsdt_y_tr1_17_4_1.o ccsdt_y_tr1_17_4_1_1.o OFFSET_ccsdt_y_tr1_17_4_1_1.o ccsdt_y_tr1_17_4_2.o ccsdt_y_tr1_17_4_2_1.o OFFSET_ccsdt_y_tr1_17_4_2_1.o ccsdt_y_tr2.o ccsdt_y_tr2_1.o ccsdt_y_tr2_1_1.o OFFSET_ccsdt_y_tr2_1_1.o ccsdt_y_tr2_2.o ccsdt_y_tr2_2_1.o OFFSET_ccsdt_y_tr2_2_1.o ccsdt_y_tr2_2_2.o ccsdt_y_tr2_2_3.o ccsdt_y_tr2_3.o ccsdt_y_tr2_3_1.o OFFSET_ccsdt_y_tr2_3_1.o ccsdt_y_tr2_4.o ccsdt_y_tr2_4_1.o OFFSET_ccsdt_y_tr2_4_1.o ccsdt_y_tr2_4_1_1.o OFFSET_ccsdt_y_tr2_4_1_1.o ccsdt_y_tr2_4_1_2.o ccsdt_y_tr2_4_2.o ccsdt_y_tr2_4_3.o ccsdt_y_tr2_4_4.o ccsdt_y_tr2_4_4_1.o OFFSET_ccsdt_y_tr2_4_4_1.o ccsdt_y_tr2_5.o ccsdt_y_tr2_5_1.o OFFSET_ccsdt_y_tr2_5_1.o ccsdt_y_tr2_5_2.o ccsdt_y_tr2_6.o ccsdt_y_tr2_6_1.o OFFSET_ccsdt_y_tr2_6_1.o ccsdt_y_tr2_6_1_1.o OFFSET_ccsdt_y_tr2_6_1_1.o ccsdt_y_tr2_6_1_2.o ccsdt_y_tr2_6_2.o ccsdt_y_tr2_6_3.o ccsdt_y_tr2_6_3_1.o OFFSET_ccsdt_y_tr2_6_3_1.o ccsdt_y_tr2_7.o ccsdt_y_tr2_7_1.o OFFSET_ccsdt_y_tr2_7_1.o ccsdt_y_tr2_7_2.o ccsdt_y_tr2_8.o ccsdt_y_tr2_8_1.o OFFSET_ccsdt_y_tr2_8_1.o ccsdt_y_tr2_8_2.o ccsdt_y_tr2_9.o ccsdt_y_tr2_9_1.o OFFSET_ccsdt_y_tr2_9_1.o ccsdt_y_tr2_9_2.o ccsdt_y_tr2_10.o ccsdt_y_tr2_10_1.o OFFSET_ccsdt_y_tr2_10_1.o ccsdt_y_tr2_10_2.o ccsdt_y_tr2_10_3.o ccsdt_y_tr2_10_3_1.o OFFSET_ccsdt_y_tr2_10_3_1.o ccsdt_y_tr2_10_4.o ccsdt_y_tr2_10_4_1.o OFFSET_ccsdt_y_tr2_10_4_1.o ccsdt_y_tr2_11.o ccsdt_y_tr2_11_1.o OFFSET_ccsdt_y_tr2_11_1.o ccsdt_y_tr2_11_1_1.o OFFSET_ccsdt_y_tr2_11_1_1.o ccsdt_y_tr2_11_1_2.o ccsdt_y_tr2_11_1_2_1.o OFFSET_ccsdt_y_tr2_11_1_2_1.o ccsdt_y_tr2_11_1_2_2.o ccsdt_y_tr2_11_1_3.o ccsdt_y_tr2_11_2.o ccsdt_y_tr2_11_2_1.o OFFSET_ccsdt_y_tr2_11_2_1.o ccsdt_y_tr2_11_2_2.o ccsdt_y_tr2_11_3.o ccsdt_y_tr2_11_3_1.o OFFSET_ccsdt_y_tr2_11_3_1.o ccsdt_y_tr2_11_3_2.o ccsdt_y_tr2_11_4.o ccsdt_y_tr2_11_4_1.o OFFSET_ccsdt_y_tr2_11_4_1.o ccsdt_y_tr2_11_4_2.o ccsdt_y_tr2_11_5.o ccsdt_y_tr2_11_6.o ccsdt_y_tr2_11_7.o ccsdt_y_tr2_11_7_1.o OFFSET_ccsdt_y_tr2_11_7_1.o ccsdt_y_tr2_11_7_1_1.o OFFSET_ccsdt_y_tr2_11_7_1_1.o ccsdt_y_tr2_11_7_1_2.o ccsdt_y_tr2_11_7_2.o ccsdt_y_tr2_11_7_3.o ccsdt_y_tr2_11_7_3_1.o OFFSET_ccsdt_y_tr2_11_7_3_1.o ccsdt_y_tr2_11_8.o ccsdt_y_tr2_11_8_1.o OFFSET_ccsdt_y_tr2_11_8_1.o ccsdt_y_tr2_11_9.o ccsdt_y_tr2_11_9_1.o OFFSET_ccsdt_y_tr2_11_9_1.o ccsdt_y_tr2_11_10.o ccsdt_y_tr2_11_10_1.o OFFSET_ccsdt_y_tr2_11_10_1.o ccsdt_y_tr2_12.o ccsdt_y_tr2_12_1.o OFFSET_ccsdt_y_tr2_12_1.o ccsdt_y_tr2_13.o ccsdt_y_tr2_13_1.o OFFSET_ccsdt_y_tr2_13_1.o ccsdt_y_tr2_14.o ccsdt_y_tr2_14_1.o OFFSET_ccsdt_y_tr2_14_1.o ccsdt_y_tr2_14_2.o ccsdt_y_tr2_14_2_1.o OFFSET_ccsdt_y_tr2_14_2_1.o ccsdt_y_tr2_14_2_2.o ccsdt_y_tr2_14_3.o ccsdt_y_tr2_14_4.o ccsdt_y_tr2_14_5.o ccsdt_y_tr2_14_5_1.o OFFSET_ccsdt_y_tr2_14_5_1.o ccsdt_y_tr2_14_6.o ccsdt_y_tr2_14_6_1.o OFFSET_ccsdt_y_tr2_14_6_1.o ccsdt_y_tr2_14_7.o ccsdt_y_tr2_14_7_1.o OFFSET_ccsdt_y_tr2_14_7_1.o ccsdt_y_tr2_14_8.o ccsdt_y_tr2_14_8_1.o OFFSET_ccsdt_y_tr2_14_8_1.o ccsdt_y_tr2_14_9.o ccsdt_y_tr2_14_9_1.o OFFSET_ccsdt_y_tr2_14_9_1.o ccsdt_y_tr2_15.o ccsdt_y_tr2_15_1.o OFFSET_ccsdt_y_tr2_15_1.o ccsdt_y_tr2_15_2.o ccsdt_y_tr2_16.o ccsdt_y_tr2_16_1.o OFFSET_ccsdt_y_tr2_16_1.o ccsdt_y_tr2_16_2.o ccsdt_y_tr2_16_3.o ccsdt_y_tr2_16_3_1.o OFFSET_ccsdt_y_tr2_16_3_1.o ccsdt_y_tr2_16_4.o ccsdt_y_tr2_16_4_1.o OFFSET_ccsdt_y_tr2_16_4_1.o ccsdt_y_tr2_16_5.o ccsdt_y_tr2_16_5_1.o OFFSET_ccsdt_y_tr2_16_5_1.o ccsdt_y_tr2_16_6.o ccsdt_y_tr2_16_6_1.o OFFSET_ccsdt_y_tr2_16_6_1.o ccsdt_y_tr2_17.o ccsdt_y_tr2_17_1.o OFFSET_ccsdt_y_tr2_17_1.o ccsdt_y_tr2_18.o ccsdt_y_tr2_18_1.o OFFSET_ccsdt_y_tr2_18_1.o ccsdt_y_tr2_19.o ccsdt_y_tr2_19_1.o OFFSET_ccsdt_y_tr2_19_1.o ccsdt_y_tr2_20.o ccsdt_y_tr2_20_1.o OFFSET_ccsdt_y_tr2_20_1.o ccsdt_y_tr2_20_2.o ccsdt_y_tr2_20_2_1.o OFFSET_ccsdt_y_tr2_20_2_1.o ccsdt_y_tr2_20_2_2.o ccsdt_y_tr2_20_3.o ccsdt_y_tr2_20_3_1.o OFFSET_ccsdt_y_tr2_20_3_1.o ccsdt_y_tr2_20_3_2.o ccsdt_y_tr2_20_4.o ccsdt_y_tr2_20_4_1.o OFFSET_ccsdt_y_tr2_20_4_1.o ccsdt_y_tr2_20_5.o ccsdt_y_tr2_20_5_1.o OFFSET_ccsdt_y_tr2_20_5_1.o ccsdt_y_tr2_21.o ccsdt_y_tr2_21_1.o OFFSET_ccsdt_y_tr2_21_1.o ccsdt_y_tr2_21_1_1.o OFFSET_ccsdt_y_tr2_21_1_1.o ccsdt_y_tr2_21_2.o ccsdt_y_tr2_21_2_1.o OFFSET_ccsdt_y_tr2_21_2_1.o ccsdt_y_tr2_22.o ccsdt_y_tr2_22_1.o OFFSET_ccsdt_y_tr2_22_1.o ccsdt_y_tr2_22_1_1.o OFFSET_ccsdt_y_tr2_22_1_1.o ccsdt_y_tr2_22_2.o ccsdt_y_tr2_22_2_1.o OFFSET_ccsdt_y_tr2_22_2_1.o ccsdt_y_tr2_23.o ccsdt_y_tr2_23_1.o OFFSET_ccsdt_y_tr2_23_1.o ccsdt_y_tr2_23_1_1.o OFFSET_ccsdt_y_tr2_23_1_1.o ccsdt_y_tr2_23_2.o ccsdt_y_tr2_23_2_1.o OFFSET_ccsdt_y_tr2_23_2_1.o ccsdt_y_tr2_23_3.o ccsdt_y_tr2_23_3_1.o OFFSET_ccsdt_y_tr2_23_3_1.o ccsdt_y_tr2_23_3_1_1.o OFFSET_ccsdt_y_tr2_23_3_1_1.o ccsdt_y_tr2_23_4.o ccsdt_y_tr2_23_4_1.o OFFSET_ccsdt_y_tr2_23_4_1.o ccsdt_y_tr2_23_4_1_1.o OFFSET_ccsdt_y_tr2_23_4_1_1.o ccsdt_y_tr2_23_4_2.o ccsdt_y_tr2_23_4_2_1.o OFFSET_ccsdt_y_tr2_23_4_2_1.o ccsdt_y_tr3.o ccsdt_y_tr3_1.o ccsdt_y_tr3_1_1.o OFFSET_ccsdt_y_tr3_1_1.o ccsdt_y_tr3_2.o ccsdt_y_tr3_2_1.o OFFSET_ccsdt_y_tr3_2_1.o ccsdt_y_tr3_2_2.o ccsdt_y_tr3_3.o ccsdt_y_tr3_3_1.o OFFSET_ccsdt_y_tr3_3_1.o ccsdt_y_tr3_4.o ccsdt_y_tr3_4_1.o OFFSET_ccsdt_y_tr3_4_1.o ccsdt_y_tr3_4_1_1.o OFFSET_ccsdt_y_tr3_4_1_1.o ccsdt_y_tr3_4_1_2.o ccsdt_y_tr3_4_2.o ccsdt_y_tr3_4_3.o ccsdt_y_tr3_4_4.o ccsdt_y_tr3_4_4_1.o OFFSET_ccsdt_y_tr3_4_4_1.o ccsdt_y_tr3_5.o ccsdt_y_tr3_5_1.o OFFSET_ccsdt_y_tr3_5_1.o ccsdt_y_tr3_6.o ccsdt_y_tr3_6_1.o OFFSET_ccsdt_y_tr3_6_1.o ccsdt_y_tr3_6_1_1.o OFFSET_ccsdt_y_tr3_6_1_1.o ccsdt_y_tr3_6_1_2.o ccsdt_y_tr3_6_2.o ccsdt_y_tr3_6_3.o ccsdt_y_tr3_6_3_1.o OFFSET_ccsdt_y_tr3_6_3_1.o ccsdt_y_tr3_7.o ccsdt_y_tr3_7_1.o OFFSET_ccsdt_y_tr3_7_1.o ccsdt_y_tr3_8.o ccsdt_y_tr3_8_1.o OFFSET_ccsdt_y_tr3_8_1.o ccsdt_y_tr3_8_2.o ccsdt_y_tr3_8_3.o ccsdt_y_tr3_8_3_1.o OFFSET_ccsdt_y_tr3_8_3_1.o ccsdt_y_tr3_8_4.o ccsdt_y_tr3_8_4_1.o OFFSET_ccsdt_y_tr3_8_4_1.o ccsdt_y_tr3_9.o ccsdt_y_tr3_9_1.o OFFSET_ccsdt_y_tr3_9_1.o ccsdt_y_tr3_10.o ccsdt_y_tr3_10_1.o OFFSET_ccsdt_y_tr3_10_1.o ccsdt_y_tr3_10_2.o ccsdt_y_tr3_10_3.o ccsdt_y_tr3_10_3_1.o OFFSET_ccsdt_y_tr3_10_3_1.o ccsdt_y_tr3_10_4.o ccsdt_y_tr3_10_4_1.o OFFSET_ccsdt_y_tr3_10_4_1.o ccsdt_y_tr3_11.o ccsdt_y_tr3_11_1.o OFFSET_ccsdt_y_tr3_11_1.o ccsdt_y_tr3_12.o ccsdt_y_tr3_12_1.o OFFSET_ccsdt_y_tr3_12_1.o ccsdt_y_tr3_12_2.o ccsdt_y_tr3_12_2_1.o OFFSET_ccsdt_y_tr3_12_2_1.o ccsdt_y_tr3_12_3.o ccsdt_y_tr3_12_3_1.o OFFSET_ccsdt_y_tr3_12_3_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' Making all in ccsdt_beta make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' Compiling ccsdt_lr_beta_1.F... Compiling ccsdt_lr_beta_1_1.F... Compiling ccsdt_lr_beta_1_1_1.F... Compiling OFFSET_ccsdt_lr_beta_1_1_1.F... Compiling ccsdt_lr_beta_1_1_2.F... Compiling ccsdt_lr_beta_1_1_3.F... Compiling ccsdt_lr_beta_1_2.F... Compiling ccsdt_lr_beta_1_2_1.F... Compiling OFFSET_ccsdt_lr_beta_1_2_1.F... Compiling ccsdt_lr_beta_1_3.F... Compiling ccsdt_lr_beta_1_3_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_1.F... Compiling ccsdt_lr_beta_1_3_2.F... Compiling ccsdt_lr_beta_1_3_3.F... Compiling ccsdt_lr_beta_1_3_3_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_3_1.F... Compiling ccsdt_lr_beta_1_3_3_2.F... Compiling ccsdt_lr_beta_1_3_3_3.F... Compiling ccsdt_lr_beta_1_3_4.F... Compiling ccsdt_lr_beta_1_3_4_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_4_1.F... Compiling ccsdt_lr_beta_1_3_4_2.F... Compiling ccsdt_lr_beta_1_3_4_3.F... Compiling ccsdt_lr_beta_1_3_5.F... Compiling ccsdt_lr_beta_1_3_5_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_5_1.F... Compiling ccsdt_lr_beta_1_3_5_2.F... Compiling ccsdt_lr_beta_1_3_6.F... Compiling ccsdt_lr_beta_1_3_6_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_6_1.F... Compiling ccsdt_lr_beta_1_3_7.F... Compiling ccsdt_lr_beta_1_3_7_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_7_1.F... Compiling ccsdt_lr_beta_1_3_7_2.F... Compiling ccsdt_lr_beta_1_3_8.F... Compiling ccsdt_lr_beta_1_3_8_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_8_1.F... Compiling ccsdt_lr_beta_1_4.F... Compiling ccsdt_lr_beta_1_4_1.F... Compiling OFFSET_ccsdt_lr_beta_1_4_1.F... Compiling ccsdt_lr_beta_1_4_2.F... Compiling ccsdt_lr_beta_2.F... Compiling ccsdt_lr_beta_2_1.F... Compiling ccsdt_lr_beta_2_1_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_1.F... Compiling ccsdt_lr_beta_2_1_1_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_1_1.F... Compiling ccsdt_lr_beta_2_1_1_2.F... Compiling ccsdt_lr_beta_2_1_1_3.F... Compiling ccsdt_lr_beta_2_1_2.F... Compiling ccsdt_lr_beta_2_1_2_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_2_1.F... Compiling ccsdt_lr_beta_2_1_2_2.F... Compiling ccsdt_lr_beta_2_1_2_3.F... Compiling ccsdt_lr_beta_2_1_3.F... Compiling ccsdt_lr_beta_2_1_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_3_1.F... Compiling ccsdt_lr_beta_2_1_3_2.F... Compiling ccsdt_lr_beta_2_1_4.F... Compiling ccsdt_lr_beta_2_1_4_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_4_1.F... Compiling ccsdt_lr_beta_2_1_5.F... Compiling ccsdt_lr_beta_2_1_5_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_5_1.F... Compiling ccsdt_lr_beta_2_1_5_2.F... Compiling ccsdt_lr_beta_2_1_6.F... Compiling ccsdt_lr_beta_2_1_6_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_6_1.F... Compiling ccsdt_lr_beta_2_2.F... Compiling ccsdt_lr_beta_2_2_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_1.F... Compiling ccsdt_lr_beta_2_2_1_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_1_1.F... Compiling ccsdt_lr_beta_2_2_1_2.F... Compiling ccsdt_lr_beta_2_2_1_3.F... Compiling ccsdt_lr_beta_2_2_1_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_1_3_1.F... Compiling ccsdt_lr_beta_2_2_1_4.F... Compiling ccsdt_lr_beta_2_2_1_4_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_1_4_1.F... Compiling ccsdt_lr_beta_2_2_2.F... Compiling ccsdt_lr_beta_2_2_2_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_2_1.F... Compiling ccsdt_lr_beta_2_2_3.F... Compiling ccsdt_lr_beta_2_2_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_3_1.F... Compiling ccsdt_lr_beta_2_2_4.F... Compiling ccsdt_lr_beta_2_2_4_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_4_1.F... Compiling ccsdt_lr_beta_2_2_4_2.F... Compiling ccsdt_lr_beta_2_2_4_3.F... Compiling ccsdt_lr_beta_2_2_4_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_4_3_1.F... Compiling ccsdt_lr_beta_2_2_4_4.F... Compiling ccsdt_lr_beta_2_2_4_4_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_4_4_1.F... Compiling ccsdt_lr_beta_2_2_5.F... Compiling ccsdt_lr_beta_2_2_5_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_5_1.F... Compiling ccsdt_lr_beta_2_2_6.F... Compiling ccsdt_lr_beta_2_2_6_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_6_1.F... Compiling ccsdt_lr_beta_2_2_7.F... Compiling ccsdt_lr_beta_2_2_7_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_7_1.F... Compiling ccsdt_lr_beta_2_2_8.F... Compiling ccsdt_lr_beta_2_2_8_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_8_1.F... Compiling ccsdt_lr_beta_2_2_9.F... Compiling ccsdt_lr_beta_2_2_9_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_9_1.F... Compiling ccsdt_lr_beta_2_2_9_1_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_9_1_1.F... Compiling ccsdt_lr_beta_2_2_9_2.F... Compiling ccsdt_lr_beta_2_2_9_2_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_9_2_1.F... Compiling ccsdt_lr_beta_2_3.F... Compiling ccsdt_lr_beta_2_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_3_1.F... Compiling ccsdt_lr_beta_2_3_1_1.F... Compiling OFFSET_ccsdt_lr_beta_2_3_1_1.F... Compiling ccsdt_lr_beta_2_3_2.F... Compiling ccsdt_lr_beta_2_3_2_1.F... Compiling OFFSET_ccsdt_lr_beta_2_3_2_1.F... Compiling ccsdt_lr_beta_2_3_3.F... Compiling ccsdt_lr_beta_2_3_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_3_3_1.F... Compiling ccsdt_lr_beta_2_3_4.F... 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Compiling OFFSET_ccsdt_lr_beta_4_5_3_4_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_lr_beta_1.o ccsdt_lr_beta_1_1.o ccsdt_lr_beta_1_1_1.o OFFSET_ccsdt_lr_beta_1_1_1.o ccsdt_lr_beta_1_1_2.o ccsdt_lr_beta_1_1_3.o ccsdt_lr_beta_1_2.o ccsdt_lr_beta_1_2_1.o OFFSET_ccsdt_lr_beta_1_2_1.o ccsdt_lr_beta_1_3.o ccsdt_lr_beta_1_3_1.o OFFSET_ccsdt_lr_beta_1_3_1.o ccsdt_lr_beta_1_3_2.o ccsdt_lr_beta_1_3_3.o ccsdt_lr_beta_1_3_3_1.o OFFSET_ccsdt_lr_beta_1_3_3_1.o ccsdt_lr_beta_1_3_3_2.o ccsdt_lr_beta_1_3_3_3.o ccsdt_lr_beta_1_3_4.o ccsdt_lr_beta_1_3_4_1.o OFFSET_ccsdt_lr_beta_1_3_4_1.o 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ccsdt_lr_beta_2_1_5.o ccsdt_lr_beta_2_1_5_1.o OFFSET_ccsdt_lr_beta_2_1_5_1.o ccsdt_lr_beta_2_1_5_2.o ccsdt_lr_beta_2_1_6.o ccsdt_lr_beta_2_1_6_1.o OFFSET_ccsdt_lr_beta_2_1_6_1.o ccsdt_lr_beta_2_2.o ccsdt_lr_beta_2_2_1.o OFFSET_ccsdt_lr_beta_2_2_1.o ccsdt_lr_beta_2_2_1_1.o OFFSET_ccsdt_lr_beta_2_2_1_1.o ccsdt_lr_beta_2_2_1_2.o ccsdt_lr_beta_2_2_1_3.o ccsdt_lr_beta_2_2_1_3_1.o OFFSET_ccsdt_lr_beta_2_2_1_3_1.o ccsdt_lr_beta_2_2_1_4.o ccsdt_lr_beta_2_2_1_4_1.o OFFSET_ccsdt_lr_beta_2_2_1_4_1.o ccsdt_lr_beta_2_2_2.o ccsdt_lr_beta_2_2_2_1.o OFFSET_ccsdt_lr_beta_2_2_2_1.o ccsdt_lr_beta_2_2_3.o ccsdt_lr_beta_2_2_3_1.o OFFSET_ccsdt_lr_beta_2_2_3_1.o ccsdt_lr_beta_2_2_4.o ccsdt_lr_beta_2_2_4_1.o OFFSET_ccsdt_lr_beta_2_2_4_1.o ccsdt_lr_beta_2_2_4_2.o ccsdt_lr_beta_2_2_4_3.o ccsdt_lr_beta_2_2_4_3_1.o OFFSET_ccsdt_lr_beta_2_2_4_3_1.o ccsdt_lr_beta_2_2_4_4.o ccsdt_lr_beta_2_2_4_4_1.o OFFSET_ccsdt_lr_beta_2_2_4_4_1.o ccsdt_lr_beta_2_2_5.o ccsdt_lr_beta_2_2_5_1.o OFFSET_ccsdt_lr_beta_2_2_5_1.o ccsdt_lr_beta_2_2_6.o ccsdt_lr_beta_2_2_6_1.o OFFSET_ccsdt_lr_beta_2_2_6_1.o ccsdt_lr_beta_2_2_7.o ccsdt_lr_beta_2_2_7_1.o OFFSET_ccsdt_lr_beta_2_2_7_1.o ccsdt_lr_beta_2_2_8.o ccsdt_lr_beta_2_2_8_1.o OFFSET_ccsdt_lr_beta_2_2_8_1.o ccsdt_lr_beta_2_2_9.o ccsdt_lr_beta_2_2_9_1.o OFFSET_ccsdt_lr_beta_2_2_9_1.o ccsdt_lr_beta_2_2_9_1_1.o OFFSET_ccsdt_lr_beta_2_2_9_1_1.o ccsdt_lr_beta_2_2_9_2.o ccsdt_lr_beta_2_2_9_2_1.o OFFSET_ccsdt_lr_beta_2_2_9_2_1.o ccsdt_lr_beta_2_3.o ccsdt_lr_beta_2_3_1.o OFFSET_ccsdt_lr_beta_2_3_1.o ccsdt_lr_beta_2_3_1_1.o OFFSET_ccsdt_lr_beta_2_3_1_1.o ccsdt_lr_beta_2_3_2.o ccsdt_lr_beta_2_3_2_1.o OFFSET_ccsdt_lr_beta_2_3_2_1.o ccsdt_lr_beta_2_3_3.o ccsdt_lr_beta_2_3_3_1.o OFFSET_ccsdt_lr_beta_2_3_3_1.o ccsdt_lr_beta_2_3_4.o ccsdt_lr_beta_2_3_4_1.o OFFSET_ccsdt_lr_beta_2_3_4_1.o ccsdt_lr_beta_2_4.o ccsdt_lr_beta_2_4_1.o OFFSET_ccsdt_lr_beta_2_4_1.o ccsdt_lr_beta_2_4_1_1.o OFFSET_ccsdt_lr_beta_2_4_1_1.o ccsdt_lr_beta_2_4_1_2.o ccsdt_lr_beta_2_4_2.o ccsdt_lr_beta_2_4_2_1.o OFFSET_ccsdt_lr_beta_2_4_2_1.o ccsdt_lr_beta_2_4_2_2.o ccsdt_lr_beta_2_4_3.o ccsdt_lr_beta_2_4_3_1.o OFFSET_ccsdt_lr_beta_2_4_3_1.o ccsdt_lr_beta_2_4_4.o ccsdt_lr_beta_2_4_4_1.o OFFSET_ccsdt_lr_beta_2_4_4_1.o ccsdt_lr_beta_2_5.o ccsdt_lr_beta_2_5_1.o OFFSET_ccsdt_lr_beta_2_5_1.o ccsdt_lr_beta_2_5_1_1.o OFFSET_ccsdt_lr_beta_2_5_1_1.o ccsdt_lr_beta_2_5_2.o ccsdt_lr_beta_2_5_2_1.o OFFSET_ccsdt_lr_beta_2_5_2_1.o ccsdt_lr_beta_2_5_2_2.o ccsdt_lr_beta_2_5_3.o ccsdt_lr_beta_2_5_3_1.o OFFSET_ccsdt_lr_beta_2_5_3_1.o ccsdt_lr_beta_2_5_3_2.o ccsdt_lr_beta_2_5_3_2_1.o OFFSET_ccsdt_lr_beta_2_5_3_2_1.o ccsdt_lr_beta_2_5_3_3.o ccsdt_lr_beta_2_5_3_3_1.o OFFSET_ccsdt_lr_beta_2_5_3_3_1.o ccsdt_lr_beta_2_5_3_4.o ccsdt_lr_beta_2_5_3_4_1.o OFFSET_ccsdt_lr_beta_2_5_3_4_1.o ccsdt_lr_beta_2_5_3_5.o ccsdt_lr_beta_2_5_3_5_1.o OFFSET_ccsdt_lr_beta_2_5_3_5_1.o ccsdt_lr_beta_2_5_3_6.o ccsdt_lr_beta_2_5_3_6_1.o OFFSET_ccsdt_lr_beta_2_5_3_6_1.o ccsdt_lr_beta_2_5_3_7.o ccsdt_lr_beta_2_5_3_7_1.o OFFSET_ccsdt_lr_beta_2_5_3_7_1.o ccsdt_lr_beta_2_5_4.o ccsdt_lr_beta_2_5_4_1.o OFFSET_ccsdt_lr_beta_2_5_4_1.o ccsdt_lr_beta_2_5_4_2.o ccsdt_lr_beta_2_5_5.o ccsdt_lr_beta_2_5_5_1.o OFFSET_ccsdt_lr_beta_2_5_5_1.o ccsdt_lr_beta_2_5_6.o ccsdt_lr_beta_2_5_6_1.o OFFSET_ccsdt_lr_beta_2_5_6_1.o ccsdt_lr_beta_2_5_7.o ccsdt_lr_beta_2_5_7_1.o OFFSET_ccsdt_lr_beta_2_5_7_1.o ccsdt_lr_beta_2_5_8.o ccsdt_lr_beta_2_5_8_1.o OFFSET_ccsdt_lr_beta_2_5_8_1.o ccsdt_lr_beta_2_5_9.o ccsdt_lr_beta_2_5_9_1.o OFFSET_ccsdt_lr_beta_2_5_9_1.o ccsdt_lr_beta_2_5_9_2.o ccsdt_lr_beta_2_5_10.o ccsdt_lr_beta_2_5_10_1.o OFFSET_ccsdt_lr_beta_2_5_10_1.o ccsdt_lr_beta_2_5_10_2.o ccsdt_lr_beta_2_5_10_2_1.o OFFSET_ccsdt_lr_beta_2_5_10_2_1.o ccsdt_lr_beta_2_5_10_3.o ccsdt_lr_beta_2_5_10_3_1.o OFFSET_ccsdt_lr_beta_2_5_10_3_1.o ccsdt_lr_beta_2_5_10_4.o ccsdt_lr_beta_2_5_10_4_1.o OFFSET_ccsdt_lr_beta_2_5_10_4_1.o ccsdt_lr_beta_2_5_10_5.o ccsdt_lr_beta_2_5_10_5_1.o OFFSET_ccsdt_lr_beta_2_5_10_5_1.o ccsdt_lr_beta_2_5_10_6.o ccsdt_lr_beta_2_5_10_6_1.o OFFSET_ccsdt_lr_beta_2_5_10_6_1.o ccsdt_lr_beta_2_5_10_7.o ccsdt_lr_beta_2_5_10_7_1.o OFFSET_ccsdt_lr_beta_2_5_10_7_1.o ccsdt_lr_beta_2_5_11.o ccsdt_lr_beta_2_5_11_1.o OFFSET_ccsdt_lr_beta_2_5_11_1.o ccsdt_lr_beta_2_5_11_2.o ccsdt_lr_beta_2_5_12.o ccsdt_lr_beta_2_5_12_1.o OFFSET_ccsdt_lr_beta_2_5_12_1.o ccsdt_lr_beta_2_5_13.o ccsdt_lr_beta_2_5_13_1.o OFFSET_ccsdt_lr_beta_2_5_13_1.o ccsdt_lr_beta_2_5_14.o ccsdt_lr_beta_2_5_14_1.o OFFSET_ccsdt_lr_beta_2_5_14_1.o ccsdt_lr_beta_2_5_15.o ccsdt_lr_beta_2_5_15_1.o OFFSET_ccsdt_lr_beta_2_5_15_1.o ccsdt_lr_beta_2_5_15_1_1.o OFFSET_ccsdt_lr_beta_2_5_15_1_1.o ccsdt_lr_beta_2_5_15_2.o ccsdt_lr_beta_2_5_15_2_1.o OFFSET_ccsdt_lr_beta_2_5_15_2_1.o ccsdt_lr_beta_2_5_15_3.o ccsdt_lr_beta_2_5_15_3_1.o OFFSET_ccsdt_lr_beta_2_5_15_3_1.o ccsdt_lr_beta_2_5_15_4.o ccsdt_lr_beta_2_5_15_4_1.o OFFSET_ccsdt_lr_beta_2_5_15_4_1.o ccsdt_lr_beta_2_5_15_5.o ccsdt_lr_beta_2_5_15_5_1.o OFFSET_ccsdt_lr_beta_2_5_15_5_1.o ccsdt_lr_beta_2_5_15_6.o ccsdt_lr_beta_2_5_15_6_1.o OFFSET_ccsdt_lr_beta_2_5_15_6_1.o ccsdt_lr_beta_2_5_16.o ccsdt_lr_beta_2_5_16_1.o OFFSET_ccsdt_lr_beta_2_5_16_1.o ccsdt_lr_beta_2_5_16_1_1.o OFFSET_ccsdt_lr_beta_2_5_16_1_1.o ccsdt_lr_beta_2_5_16_2.o ccsdt_lr_beta_2_5_16_2_1.o OFFSET_ccsdt_lr_beta_2_5_16_2_1.o ccsdt_lr_beta_2_5_17.o ccsdt_lr_beta_2_5_17_1.o OFFSET_ccsdt_lr_beta_2_5_17_1.o ccsdt_lr_beta_2_5_17_1_1.o OFFSET_ccsdt_lr_beta_2_5_17_1_1.o ccsdt_lr_beta_2_5_17_2.o ccsdt_lr_beta_2_5_17_2_1.o OFFSET_ccsdt_lr_beta_2_5_17_2_1.o ccsdt_lr_beta_2_5_18.o ccsdt_lr_beta_2_5_18_1.o OFFSET_ccsdt_lr_beta_2_5_18_1.o ccsdt_lr_beta_2_5_18_1_1.o OFFSET_ccsdt_lr_beta_2_5_18_1_1.o ccsdt_lr_beta_2_5_18_2.o ccsdt_lr_beta_2_5_18_2_1.o OFFSET_ccsdt_lr_beta_2_5_18_2_1.o ccsdt_lr_beta_2_6.o ccsdt_lr_beta_2_6_1.o OFFSET_ccsdt_lr_beta_2_6_1.o ccsdt_lr_beta_2_6_1_1.o OFFSET_ccsdt_lr_beta_2_6_1_1.o ccsdt_lr_beta_2_6_1_2.o ccsdt_lr_beta_2_6_1_3.o ccsdt_lr_beta_2_6_1_3_1.o OFFSET_ccsdt_lr_beta_2_6_1_3_1.o ccsdt_lr_beta_2_6_1_3_2.o ccsdt_lr_beta_2_6_1_4.o ccsdt_lr_beta_2_6_1_4_1.o OFFSET_ccsdt_lr_beta_2_6_1_4_1.o ccsdt_lr_beta_2_6_1_4_2.o ccsdt_lr_beta_2_6_2.o ccsdt_lr_beta_2_6_2_1.o OFFSET_ccsdt_lr_beta_2_6_2_1.o ccsdt_lr_beta_2_6_3.o ccsdt_lr_beta_2_6_3_1.o OFFSET_ccsdt_lr_beta_2_6_3_1.o ccsdt_lr_beta_2_6_3_2.o ccsdt_lr_beta_2_6_4.o ccsdt_lr_beta_2_6_4_1.o OFFSET_ccsdt_lr_beta_2_6_4_1.o ccsdt_lr_beta_2_6_4_1_1.o OFFSET_ccsdt_lr_beta_2_6_4_1_1.o ccsdt_lr_beta_2_6_4_1_2.o ccsdt_lr_beta_2_6_5.o ccsdt_lr_beta_2_6_5_1.o OFFSET_ccsdt_lr_beta_2_6_5_1.o ccsdt_lr_beta_2_6_6.o ccsdt_lr_beta_2_6_6_1.o OFFSET_ccsdt_lr_beta_2_6_6_1.o ccsdt_lr_beta_2_6_7.o ccsdt_lr_beta_2_6_7_1.o OFFSET_ccsdt_lr_beta_2_6_7_1.o ccsdt_lr_beta_2_6_7_2.o ccsdt_lr_beta_2_6_7_3.o ccsdt_lr_beta_2_6_7_3_1.o OFFSET_ccsdt_lr_beta_2_6_7_3_1.o ccsdt_lr_beta_2_6_7_3_2.o ccsdt_lr_beta_2_6_7_4.o ccsdt_lr_beta_2_6_7_4_1.o OFFSET_ccsdt_lr_beta_2_6_7_4_1.o ccsdt_lr_beta_2_6_7_4_2.o ccsdt_lr_beta_2_6_8.o ccsdt_lr_beta_2_6_8_1.o OFFSET_ccsdt_lr_beta_2_6_8_1.o ccsdt_lr_beta_2_6_9.o ccsdt_lr_beta_2_6_9_1.o OFFSET_ccsdt_lr_beta_2_6_9_1.o ccsdt_lr_beta_2_6_9_2.o ccsdt_lr_beta_2_6_10.o ccsdt_lr_beta_2_6_10_1.o OFFSET_ccsdt_lr_beta_2_6_10_1.o ccsdt_lr_beta_2_6_11.o ccsdt_lr_beta_2_6_11_1.o OFFSET_ccsdt_lr_beta_2_6_11_1.o ccsdt_lr_beta_2_6_12.o ccsdt_lr_beta_2_6_12_1.o OFFSET_ccsdt_lr_beta_2_6_12_1.o ccsdt_lr_beta_2_6_12_1_1.o OFFSET_ccsdt_lr_beta_2_6_12_1_1.o ccsdt_lr_beta_2_6_12_2.o ccsdt_lr_beta_2_6_12_2_1.o OFFSET_ccsdt_lr_beta_2_6_12_2_1.o ccsdt_lr_beta_2_6_13.o ccsdt_lr_beta_2_6_13_1.o OFFSET_ccsdt_lr_beta_2_6_13_1.o ccsdt_lr_beta_2_6_13_1_1.o OFFSET_ccsdt_lr_beta_2_6_13_1_1.o ccsdt_lr_beta_2_6_13_1_2.o ccsdt_lr_beta_2_6_13_2.o ccsdt_lr_beta_2_6_13_2_1.o OFFSET_ccsdt_lr_beta_2_6_13_2_1.o ccsdt_lr_beta_2_6_13_2_2.o ccsdt_lr_beta_2_6_14.o ccsdt_lr_beta_2_6_14_1.o OFFSET_ccsdt_lr_beta_2_6_14_1.o ccsdt_lr_beta_2_6_14_1_1.o OFFSET_ccsdt_lr_beta_2_6_14_1_1.o ccsdt_lr_beta_2_6_14_2.o ccsdt_lr_beta_2_6_14_2_1.o OFFSET_ccsdt_lr_beta_2_6_14_2_1.o ccsdt_lr_beta_2_6_15.o ccsdt_lr_beta_2_6_15_1.o OFFSET_ccsdt_lr_beta_2_6_15_1.o ccsdt_lr_beta_2_6_15_1_1.o OFFSET_ccsdt_lr_beta_2_6_15_1_1.o ccsdt_lr_beta_2_6_15_2.o ccsdt_lr_beta_2_6_15_2_1.o OFFSET_ccsdt_lr_beta_2_6_15_2_1.o ccsdt_lr_beta_2_7.o ccsdt_lr_beta_2_7_1.o OFFSET_ccsdt_lr_beta_2_7_1.o ccsdt_lr_beta_2_7_1_1.o OFFSET_ccsdt_lr_beta_2_7_1_1.o ccsdt_lr_beta_2_7_2.o ccsdt_lr_beta_2_7_2_1.o OFFSET_ccsdt_lr_beta_2_7_2_1.o ccsdt_lr_beta_2_8.o ccsdt_lr_beta_2_8_1.o OFFSET_ccsdt_lr_beta_2_8_1.o ccsdt_lr_beta_2_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_1_1.o ccsdt_lr_beta_2_8_1_2.o ccsdt_lr_beta_2_8_2.o ccsdt_lr_beta_2_8_2_1.o OFFSET_ccsdt_lr_beta_2_8_2_1.o ccsdt_lr_beta_2_8_2_2.o ccsdt_lr_beta_2_8_2_3.o ccsdt_lr_beta_2_8_2_3_1.o OFFSET_ccsdt_lr_beta_2_8_2_3_1.o ccsdt_lr_beta_2_8_2_4.o ccsdt_lr_beta_2_8_2_4_1.o OFFSET_ccsdt_lr_beta_2_8_2_4_1.o ccsdt_lr_beta_2_8_3.o ccsdt_lr_beta_2_8_3_1.o OFFSET_ccsdt_lr_beta_2_8_3_1.o ccsdt_lr_beta_2_8_4.o ccsdt_lr_beta_2_8_4_1.o OFFSET_ccsdt_lr_beta_2_8_4_1.o ccsdt_lr_beta_2_8_4_2.o ccsdt_lr_beta_2_8_4_3.o ccsdt_lr_beta_2_8_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_4_3_1.o ccsdt_lr_beta_2_8_4_4.o ccsdt_lr_beta_2_8_4_4_1.o OFFSET_ccsdt_lr_beta_2_8_4_4_1.o ccsdt_lr_beta_2_8_5.o ccsdt_lr_beta_2_8_5_1.o OFFSET_ccsdt_lr_beta_2_8_5_1.o ccsdt_lr_beta_2_8_6.o ccsdt_lr_beta_2_8_6_1.o OFFSET_ccsdt_lr_beta_2_8_6_1.o ccsdt_lr_beta_2_8_7.o ccsdt_lr_beta_2_8_7_1.o OFFSET_ccsdt_lr_beta_2_8_7_1.o ccsdt_lr_beta_2_8_7_2.o ccsdt_lr_beta_2_8_7_2_1.o OFFSET_ccsdt_lr_beta_2_8_7_2_1.o ccsdt_lr_beta_2_8_7_3.o ccsdt_lr_beta_2_8_7_3_1.o OFFSET_ccsdt_lr_beta_2_8_7_3_1.o ccsdt_lr_beta_2_8_8.o ccsdt_lr_beta_2_8_8_1.o OFFSET_ccsdt_lr_beta_2_8_8_1.o ccsdt_lr_beta_2_8_9.o ccsdt_lr_beta_2_8_9_1.o OFFSET_ccsdt_lr_beta_2_8_9_1.o ccsdt_lr_beta_2_8_9_2.o ccsdt_lr_beta_2_8_10.o ccsdt_lr_beta_2_8_10_1.o OFFSET_ccsdt_lr_beta_2_8_10_1.o ccsdt_lr_beta_2_8_11.o ccsdt_lr_beta_2_8_11_1.o OFFSET_ccsdt_lr_beta_2_8_11_1.o ccsdt_lr_beta_2_8_12.o ccsdt_lr_beta_2_8_12_1.o OFFSET_ccsdt_lr_beta_2_8_12_1.o ccsdt_lr_beta_2_8_13.o ccsdt_lr_beta_2_8_13_1.o OFFSET_ccsdt_lr_beta_2_8_13_1.o ccsdt_lr_beta_2_8_13_2.o ccsdt_lr_beta_2_8_13_2_1.o OFFSET_ccsdt_lr_beta_2_8_13_2_1.o ccsdt_lr_beta_2_8_13_3.o ccsdt_lr_beta_2_8_13_3_1.o OFFSET_ccsdt_lr_beta_2_8_13_3_1.o ccsdt_lr_beta_2_8_14.o ccsdt_lr_beta_2_8_14_1.o OFFSET_ccsdt_lr_beta_2_8_14_1.o ccsdt_lr_beta_2_8_15.o ccsdt_lr_beta_2_8_15_1.o OFFSET_ccsdt_lr_beta_2_8_15_1.o ccsdt_lr_beta_2_8_15_1_1.o OFFSET_ccsdt_lr_beta_2_8_15_1_1.o ccsdt_lr_beta_2_8_15_1_2.o ccsdt_lr_beta_2_8_15_1_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_1_2_1.o ccsdt_lr_beta_2_8_15_1_2_2.o ccsdt_lr_beta_2_8_15_1_3.o ccsdt_lr_beta_2_8_15_1_3_1.o OFFSET_ccsdt_lr_beta_2_8_15_1_3_1.o ccsdt_lr_beta_2_8_15_1_3_2.o ccsdt_lr_beta_2_8_15_2.o ccsdt_lr_beta_2_8_15_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_2_1.o ccsdt_lr_beta_2_8_15_3.o ccsdt_lr_beta_2_8_15_3_1.o OFFSET_ccsdt_lr_beta_2_8_15_3_1.o ccsdt_lr_beta_2_8_15_4.o ccsdt_lr_beta_2_8_15_4_1.o OFFSET_ccsdt_lr_beta_2_8_15_4_1.o ccsdt_lr_beta_2_8_15_4_2.o ccsdt_lr_beta_2_8_15_4_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_4_2_1.o ccsdt_lr_beta_2_8_15_4_2_2.o ccsdt_lr_beta_2_8_15_4_3.o ccsdt_lr_beta_2_8_15_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_15_4_3_1.o ccsdt_lr_beta_2_8_15_4_3_2.o ccsdt_lr_beta_2_8_15_5.o ccsdt_lr_beta_2_8_15_5_1.o OFFSET_ccsdt_lr_beta_2_8_15_5_1.o ccsdt_lr_beta_2_8_15_6.o ccsdt_lr_beta_2_8_15_6_1.o OFFSET_ccsdt_lr_beta_2_8_15_6_1.o ccsdt_lr_beta_2_8_15_7.o ccsdt_lr_beta_2_8_15_7_1.o OFFSET_ccsdt_lr_beta_2_8_15_7_1.o ccsdt_lr_beta_2_8_15_7_1_1.o OFFSET_ccsdt_lr_beta_2_8_15_7_1_1.o ccsdt_lr_beta_2_8_15_8.o ccsdt_lr_beta_2_8_15_8_1.o OFFSET_ccsdt_lr_beta_2_8_15_8_1.o ccsdt_lr_beta_2_8_15_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_15_8_1_1.o ccsdt_lr_beta_2_8_15_8_2.o ccsdt_lr_beta_2_8_15_8_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_8_2_1.o ccsdt_lr_beta_2_8_16.o ccsdt_lr_beta_2_8_16_1.o OFFSET_ccsdt_lr_beta_2_8_16_1.o ccsdt_lr_beta_2_8_16_1_1.o OFFSET_ccsdt_lr_beta_2_8_16_1_1.o ccsdt_lr_beta_2_8_16_2.o ccsdt_lr_beta_2_8_16_2_1.o OFFSET_ccsdt_lr_beta_2_8_16_2_1.o ccsdt_lr_beta_2_8_17.o ccsdt_lr_beta_2_8_17_1.o OFFSET_ccsdt_lr_beta_2_8_17_1.o ccsdt_lr_beta_2_8_17_1_1.o OFFSET_ccsdt_lr_beta_2_8_17_1_1.o ccsdt_lr_beta_2_8_17_2.o ccsdt_lr_beta_2_8_17_2_1.o OFFSET_ccsdt_lr_beta_2_8_17_2_1.o ccsdt_lr_beta_2_8_18.o ccsdt_lr_beta_2_8_18_1.o OFFSET_ccsdt_lr_beta_2_8_18_1.o ccsdt_lr_beta_2_8_18_1_1.o OFFSET_ccsdt_lr_beta_2_8_18_1_1.o ccsdt_lr_beta_2_8_18_2.o ccsdt_lr_beta_2_8_18_2_1.o OFFSET_ccsdt_lr_beta_2_8_18_2_1.o ccsdt_lr_beta_2_8_19.o ccsdt_lr_beta_2_8_19_1.o OFFSET_ccsdt_lr_beta_2_8_19_1.o ccsdt_lr_beta_2_8_19_1_1.o OFFSET_ccsdt_lr_beta_2_8_19_1_1.o ccsdt_lr_beta_2_8_19_2.o ccsdt_lr_beta_2_8_19_2_1.o OFFSET_ccsdt_lr_beta_2_8_19_2_1.o ccsdt_lr_beta_2_8_19_3.o ccsdt_lr_beta_2_8_19_3_1.o OFFSET_ccsdt_lr_beta_2_8_19_3_1.o ccsdt_lr_beta_2_8_19_4.o ccsdt_lr_beta_2_8_19_4_1.o OFFSET_ccsdt_lr_beta_2_8_19_4_1.o ccsdt_lr_beta_2_8_20.o ccsdt_lr_beta_2_8_20_1.o OFFSET_ccsdt_lr_beta_2_8_20_1.o ccsdt_lr_beta_2_8_20_1_1.o OFFSET_ccsdt_lr_beta_2_8_20_1_1.o ccsdt_lr_beta_2_8_20_2.o ccsdt_lr_beta_2_8_20_2_1.o OFFSET_ccsdt_lr_beta_2_8_20_2_1.o ccsdt_lr_beta_2_8_21.o ccsdt_lr_beta_2_8_21_1.o OFFSET_ccsdt_lr_beta_2_8_21_1.o ccsdt_lr_beta_2_8_21_1_1.o OFFSET_ccsdt_lr_beta_2_8_21_1_1.o ccsdt_lr_beta_2_8_21_2.o ccsdt_lr_beta_2_8_21_2_1.o OFFSET_ccsdt_lr_beta_2_8_21_2_1.o ccsdt_lr_beta_2_8_22.o ccsdt_lr_beta_2_8_22_1.o OFFSET_ccsdt_lr_beta_2_8_22_1.o ccsdt_lr_beta_2_8_22_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_1_1.o ccsdt_lr_beta_2_8_22_1_2.o ccsdt_lr_beta_2_8_22_1_3.o ccsdt_lr_beta_2_8_22_1_3_1.o OFFSET_ccsdt_lr_beta_2_8_22_1_3_1.o ccsdt_lr_beta_2_8_22_1_3_2.o ccsdt_lr_beta_2_8_22_1_4.o ccsdt_lr_beta_2_8_22_1_4_1.o OFFSET_ccsdt_lr_beta_2_8_22_1_4_1.o ccsdt_lr_beta_2_8_22_1_4_2.o ccsdt_lr_beta_2_8_22_2.o ccsdt_lr_beta_2_8_22_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_2_1.o ccsdt_lr_beta_2_8_22_3.o ccsdt_lr_beta_2_8_22_3_1.o OFFSET_ccsdt_lr_beta_2_8_22_3_1.o ccsdt_lr_beta_2_8_22_4.o ccsdt_lr_beta_2_8_22_4_1.o OFFSET_ccsdt_lr_beta_2_8_22_4_1.o ccsdt_lr_beta_2_8_22_4_2.o ccsdt_lr_beta_2_8_22_4_3.o ccsdt_lr_beta_2_8_22_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_22_4_3_1.o ccsdt_lr_beta_2_8_22_4_3_2.o ccsdt_lr_beta_2_8_22_4_4.o ccsdt_lr_beta_2_8_22_4_4_1.o OFFSET_ccsdt_lr_beta_2_8_22_4_4_1.o ccsdt_lr_beta_2_8_22_4_4_2.o ccsdt_lr_beta_2_8_22_5.o ccsdt_lr_beta_2_8_22_5_1.o OFFSET_ccsdt_lr_beta_2_8_22_5_1.o ccsdt_lr_beta_2_8_22_6.o ccsdt_lr_beta_2_8_22_6_1.o OFFSET_ccsdt_lr_beta_2_8_22_6_1.o ccsdt_lr_beta_2_8_22_7.o ccsdt_lr_beta_2_8_22_7_1.o OFFSET_ccsdt_lr_beta_2_8_22_7_1.o ccsdt_lr_beta_2_8_22_7_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_7_1_1.o ccsdt_lr_beta_2_8_22_7_2.o ccsdt_lr_beta_2_8_22_7_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_7_2_1.o ccsdt_lr_beta_2_8_22_8.o ccsdt_lr_beta_2_8_22_8_1.o OFFSET_ccsdt_lr_beta_2_8_22_8_1.o ccsdt_lr_beta_2_8_22_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_8_1_1.o ccsdt_lr_beta_2_8_22_8_1_2.o ccsdt_lr_beta_2_8_22_8_2.o ccsdt_lr_beta_2_8_22_8_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_8_2_1.o ccsdt_lr_beta_2_8_22_8_2_2.o ccsdt_lr_beta_2_8_22_9.o ccsdt_lr_beta_2_8_22_9_1.o OFFSET_ccsdt_lr_beta_2_8_22_9_1.o ccsdt_lr_beta_2_8_22_9_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_9_1_1.o ccsdt_lr_beta_2_8_22_9_2.o ccsdt_lr_beta_2_8_22_9_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_9_2_1.o ccsdt_lr_beta_2_8_22_10.o ccsdt_lr_beta_2_8_22_10_1.o OFFSET_ccsdt_lr_beta_2_8_22_10_1.o ccsdt_lr_beta_2_8_22_10_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_10_1_1.o ccsdt_lr_beta_2_8_22_10_2.o ccsdt_lr_beta_2_8_22_10_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_10_2_1.o ccsdt_lr_beta_2_8_23.o ccsdt_lr_beta_2_8_23_1.o OFFSET_ccsdt_lr_beta_2_8_23_1.o ccsdt_lr_beta_2_8_23_1_1.o OFFSET_ccsdt_lr_beta_2_8_23_1_1.o ccsdt_lr_beta_2_8_23_2.o ccsdt_lr_beta_2_8_23_2_1.o OFFSET_ccsdt_lr_beta_2_8_23_2_1.o ccsdt_lr_beta_2_8_24.o ccsdt_lr_beta_2_8_24_1.o OFFSET_ccsdt_lr_beta_2_8_24_1.o ccsdt_lr_beta_2_8_24_1_1.o OFFSET_ccsdt_lr_beta_2_8_24_1_1.o ccsdt_lr_beta_2_8_24_2.o ccsdt_lr_beta_2_8_24_2_1.o OFFSET_ccsdt_lr_beta_2_8_24_2_1.o ccsdt_lr_beta_2_8_25.o ccsdt_lr_beta_2_8_25_1.o OFFSET_ccsdt_lr_beta_2_8_25_1.o ccsdt_lr_beta_2_8_25_1_1.o OFFSET_ccsdt_lr_beta_2_8_25_1_1.o ccsdt_lr_beta_2_8_25_2.o ccsdt_lr_beta_2_8_25_2_1.o OFFSET_ccsdt_lr_beta_2_8_25_2_1.o ccsdt_lr_beta_2_8_25_3.o ccsdt_lr_beta_2_8_25_3_1.o OFFSET_ccsdt_lr_beta_2_8_25_3_1.o ccsdt_lr_beta_2_8_25_4.o ccsdt_lr_beta_2_8_25_4_1.o OFFSET_ccsdt_lr_beta_2_8_25_4_1.o ccsdt_lr_beta_2_8_26.o ccsdt_lr_beta_2_8_26_1.o OFFSET_ccsdt_lr_beta_2_8_26_1.o ccsdt_lr_beta_2_8_26_1_1.o OFFSET_ccsdt_lr_beta_2_8_26_1_1.o ccsdt_lr_beta_2_8_26_2.o ccsdt_lr_beta_2_8_26_2_1.o OFFSET_ccsdt_lr_beta_2_8_26_2_1.o ccsdt_lr_beta_2_8_27.o ccsdt_lr_beta_2_8_27_1.o OFFSET_ccsdt_lr_beta_2_8_27_1.o ccsdt_lr_beta_2_8_27_1_1.o OFFSET_ccsdt_lr_beta_2_8_27_1_1.o ccsdt_lr_beta_2_8_27_2.o ccsdt_lr_beta_2_8_27_2_1.o OFFSET_ccsdt_lr_beta_2_8_27_2_1.o ccsdt_lr_beta_2_8_28.o ccsdt_lr_beta_2_8_28_1.o OFFSET_ccsdt_lr_beta_2_8_28_1.o ccsdt_lr_beta_2_8_28_1_1.o OFFSET_ccsdt_lr_beta_2_8_28_1_1.o ccsdt_lr_beta_2_8_28_1_2.o ccsdt_lr_beta_2_8_28_1_3.o ccsdt_lr_beta_2_8_28_1_3_1.o OFFSET_ccsdt_lr_beta_2_8_28_1_3_1.o ccsdt_lr_beta_2_8_28_1_3_2.o ccsdt_lr_beta_2_8_28_1_4.o ccsdt_lr_beta_2_8_28_1_4_1.o OFFSET_ccsdt_lr_beta_2_8_28_1_4_1.o ccsdt_lr_beta_2_8_28_1_4_2.o ccsdt_lr_beta_2_8_28_2.o ccsdt_lr_beta_2_8_28_2_1.o OFFSET_ccsdt_lr_beta_2_8_28_2_1.o ccsdt_lr_beta_2_8_28_3.o ccsdt_lr_beta_2_8_28_3_1.o OFFSET_ccsdt_lr_beta_2_8_28_3_1.o ccsdt_lr_beta_2_8_28_4.o ccsdt_lr_beta_2_8_28_4_1.o OFFSET_ccsdt_lr_beta_2_8_28_4_1.o ccsdt_lr_beta_2_8_28_4_2.o ccsdt_lr_beta_2_8_28_4_3.o ccsdt_lr_beta_2_8_28_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_28_4_3_1.o ccsdt_lr_beta_2_8_28_4_3_2.o ccsdt_lr_beta_2_8_28_5.o ccsdt_lr_beta_2_8_28_5_1.o OFFSET_ccsdt_lr_beta_2_8_28_5_1.o ccsdt_lr_beta_2_8_28_6.o ccsdt_lr_beta_2_8_28_6_1.o OFFSET_ccsdt_lr_beta_2_8_28_6_1.o ccsdt_lr_beta_2_8_28_7.o ccsdt_lr_beta_2_8_28_7_1.o OFFSET_ccsdt_lr_beta_2_8_28_7_1.o ccsdt_lr_beta_2_8_28_7_1_1.o OFFSET_ccsdt_lr_beta_2_8_28_7_1_1.o ccsdt_lr_beta_2_8_28_7_2.o ccsdt_lr_beta_2_8_28_7_2_1.o OFFSET_ccsdt_lr_beta_2_8_28_7_2_1.o ccsdt_lr_beta_2_8_28_8.o ccsdt_lr_beta_2_8_28_8_1.o OFFSET_ccsdt_lr_beta_2_8_28_8_1.o ccsdt_lr_beta_2_8_28_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_28_8_1_1.o ccsdt_lr_beta_2_8_29.o ccsdt_lr_beta_2_8_29_1.o OFFSET_ccsdt_lr_beta_2_8_29_1.o ccsdt_lr_beta_2_8_29_1_1.o OFFSET_ccsdt_lr_beta_2_8_29_1_1.o ccsdt_lr_beta_2_8_29_2.o ccsdt_lr_beta_2_8_29_2_1.o OFFSET_ccsdt_lr_beta_2_8_29_2_1.o ccsdt_lr_beta_2_8_30.o ccsdt_lr_beta_2_8_30_1.o OFFSET_ccsdt_lr_beta_2_8_30_1.o ccsdt_lr_beta_2_8_30_1_1.o OFFSET_ccsdt_lr_beta_2_8_30_1_1.o ccsdt_lr_beta_2_8_30_2.o ccsdt_lr_beta_2_8_30_2_1.o OFFSET_ccsdt_lr_beta_2_8_30_2_1.o ccsdt_lr_beta_2_8_31.o ccsdt_lr_beta_2_8_31_1.o OFFSET_ccsdt_lr_beta_2_8_31_1.o ccsdt_lr_beta_2_8_31_1_1.o OFFSET_ccsdt_lr_beta_2_8_31_1_1.o ccsdt_lr_beta_2_8_31_2.o ccsdt_lr_beta_2_8_31_2_1.o OFFSET_ccsdt_lr_beta_2_8_31_2_1.o ccsdt_lr_beta_2_8_31_3.o ccsdt_lr_beta_2_8_31_3_1.o OFFSET_ccsdt_lr_beta_2_8_31_3_1.o ccsdt_lr_beta_2_8_31_4.o ccsdt_lr_beta_2_8_31_4_1.o OFFSET_ccsdt_lr_beta_2_8_31_4_1.o ccsdt_lr_beta_2_8_32.o ccsdt_lr_beta_2_8_32_1.o OFFSET_ccsdt_lr_beta_2_8_32_1.o ccsdt_lr_beta_2_8_32_1_1.o OFFSET_ccsdt_lr_beta_2_8_32_1_1.o ccsdt_lr_beta_2_8_32_2.o ccsdt_lr_beta_2_8_32_2_1.o OFFSET_ccsdt_lr_beta_2_8_32_2_1.o ccsdt_lr_beta_2_8_33.o ccsdt_lr_beta_2_8_33_1.o OFFSET_ccsdt_lr_beta_2_8_33_1.o ccsdt_lr_beta_2_8_33_1_1.o OFFSET_ccsdt_lr_beta_2_8_33_1_1.o ccsdt_lr_beta_2_8_33_2.o ccsdt_lr_beta_2_8_33_2_1.o OFFSET_ccsdt_lr_beta_2_8_33_2_1.o ccsdt_lr_beta_2_8_34.o ccsdt_lr_beta_2_8_34_1.o OFFSET_ccsdt_lr_beta_2_8_34_1.o ccsdt_lr_beta_2_8_34_1_1.o OFFSET_ccsdt_lr_beta_2_8_34_1_1.o ccsdt_lr_beta_2_8_34_2.o ccsdt_lr_beta_2_8_34_2_1.o OFFSET_ccsdt_lr_beta_2_8_34_2_1.o ccsdt_lr_beta_2_9.o ccsdt_lr_beta_2_9_1.o OFFSET_ccsdt_lr_beta_2_9_1.o ccsdt_lr_beta_2_9_1_1.o OFFSET_ccsdt_lr_beta_2_9_1_1.o ccsdt_lr_beta_2_9_2.o ccsdt_lr_beta_2_9_2_1.o OFFSET_ccsdt_lr_beta_2_9_2_1.o ccsdt_lr_beta_2_9_3.o ccsdt_lr_beta_2_9_3_1.o OFFSET_ccsdt_lr_beta_2_9_3_1.o ccsdt_lr_beta_2_9_4.o ccsdt_lr_beta_2_9_4_1.o OFFSET_ccsdt_lr_beta_2_9_4_1.o ccsdt_lr_beta_2_9_5.o ccsdt_lr_beta_2_9_5_1.o OFFSET_ccsdt_lr_beta_2_9_5_1.o ccsdt_lr_beta_2_9_6.o ccsdt_lr_beta_2_9_6_1.o OFFSET_ccsdt_lr_beta_2_9_6_1.o ccsdt_lr_beta_2_9_7.o ccsdt_lr_beta_2_9_7_1.o OFFSET_ccsdt_lr_beta_2_9_7_1.o ccsdt_lr_beta_2_9_8.o ccsdt_lr_beta_2_9_8_1.o OFFSET_ccsdt_lr_beta_2_9_8_1.o ccsdt_lr_beta_2_9_9.o ccsdt_lr_beta_2_9_9_1.o OFFSET_ccsdt_lr_beta_2_9_9_1.o ccsdt_lr_beta_2_9_10.o ccsdt_lr_beta_2_9_10_1.o OFFSET_ccsdt_lr_beta_2_9_10_1.o ccsdt_lr_beta_2_9_11.o ccsdt_lr_beta_2_9_11_1.o OFFSET_ccsdt_lr_beta_2_9_11_1.o ccsdt_lr_beta_2_9_11_1_1.o OFFSET_ccsdt_lr_beta_2_9_11_1_1.o ccsdt_lr_beta_2_9_11_2.o ccsdt_lr_beta_2_9_11_2_1.o OFFSET_ccsdt_lr_beta_2_9_11_2_1.o ccsdt_lr_beta_2_9_11_3.o ccsdt_lr_beta_2_9_11_3_1.o OFFSET_ccsdt_lr_beta_2_9_11_3_1.o ccsdt_lr_beta_2_9_11_4.o ccsdt_lr_beta_2_9_11_4_1.o OFFSET_ccsdt_lr_beta_2_9_11_4_1.o ccsdt_lr_beta_2_9_12.o ccsdt_lr_beta_2_9_12_1.o OFFSET_ccsdt_lr_beta_2_9_12_1.o ccsdt_lr_beta_2_9_12_1_1.o OFFSET_ccsdt_lr_beta_2_9_12_1_1.o ccsdt_lr_beta_2_9_12_2.o ccsdt_lr_beta_2_9_12_2_1.o OFFSET_ccsdt_lr_beta_2_9_12_2_1.o ccsdt_lr_beta_2_9_12_3.o ccsdt_lr_beta_2_9_12_3_1.o OFFSET_ccsdt_lr_beta_2_9_12_3_1.o ccsdt_lr_beta_2_9_12_4.o ccsdt_lr_beta_2_9_12_4_1.o OFFSET_ccsdt_lr_beta_2_9_12_4_1.o ccsdt_lr_beta_2_9_13.o ccsdt_lr_beta_2_9_13_1.o OFFSET_ccsdt_lr_beta_2_9_13_1.o ccsdt_lr_beta_2_9_13_1_1.o OFFSET_ccsdt_lr_beta_2_9_13_1_1.o ccsdt_lr_beta_2_9_13_2.o ccsdt_lr_beta_2_9_13_2_1.o OFFSET_ccsdt_lr_beta_2_9_13_2_1.o ccsdt_lr_beta_2_9_13_3.o ccsdt_lr_beta_2_9_13_3_1.o OFFSET_ccsdt_lr_beta_2_9_13_3_1.o ccsdt_lr_beta_2_9_13_4.o ccsdt_lr_beta_2_9_13_4_1.o OFFSET_ccsdt_lr_beta_2_9_13_4_1.o ccsdt_lr_beta_3.o ccsdt_lr_beta_3_1.o ccsdt_lr_beta_3_1_1.o OFFSET_ccsdt_lr_beta_3_1_1.o ccsdt_lr_beta_3_1_1_1.o OFFSET_ccsdt_lr_beta_3_1_1_1.o ccsdt_lr_beta_3_1_1_2.o ccsdt_lr_beta_3_1_1_3.o ccsdt_lr_beta_3_1_2.o ccsdt_lr_beta_3_1_2_1.o OFFSET_ccsdt_lr_beta_3_1_2_1.o ccsdt_lr_beta_3_1_2_2.o ccsdt_lr_beta_3_1_2_3.o ccsdt_lr_beta_3_1_3.o ccsdt_lr_beta_3_1_3_1.o OFFSET_ccsdt_lr_beta_3_1_3_1.o ccsdt_lr_beta_3_1_3_2.o ccsdt_lr_beta_3_1_4.o ccsdt_lr_beta_3_1_4_1.o OFFSET_ccsdt_lr_beta_3_1_4_1.o ccsdt_lr_beta_3_1_5.o ccsdt_lr_beta_3_1_5_1.o OFFSET_ccsdt_lr_beta_3_1_5_1.o ccsdt_lr_beta_3_1_5_2.o ccsdt_lr_beta_3_1_6.o ccsdt_lr_beta_3_1_6_1.o OFFSET_ccsdt_lr_beta_3_1_6_1.o ccsdt_lr_beta_4.o ccsdt_lr_beta_4_1.o ccsdt_lr_beta_4_1_1.o OFFSET_ccsdt_lr_beta_4_1_1.o ccsdt_lr_beta_4_1_1_1.o OFFSET_ccsdt_lr_beta_4_1_1_1.o ccsdt_lr_beta_4_1_1_1_1.o OFFSET_ccsdt_lr_beta_4_1_1_1_1.o ccsdt_lr_beta_4_1_1_2.o ccsdt_lr_beta_4_1_1_2_1.o OFFSET_ccsdt_lr_beta_4_1_1_2_1.o ccsdt_lr_beta_4_1_2.o ccsdt_lr_beta_4_1_2_1.o OFFSET_ccsdt_lr_beta_4_1_2_1.o ccsdt_lr_beta_4_1_2_1_1.o OFFSET_ccsdt_lr_beta_4_1_2_1_1.o ccsdt_lr_beta_4_1_2_2.o ccsdt_lr_beta_4_1_2_2_1.o OFFSET_ccsdt_lr_beta_4_1_2_2_1.o ccsdt_lr_beta_4_1_3.o ccsdt_lr_beta_4_1_3_1.o OFFSET_ccsdt_lr_beta_4_1_3_1.o ccsdt_lr_beta_4_1_3_1_1.o OFFSET_ccsdt_lr_beta_4_1_3_1_1.o ccsdt_lr_beta_4_1_3_2.o ccsdt_lr_beta_4_1_3_2_1.o OFFSET_ccsdt_lr_beta_4_1_3_2_1.o ccsdt_lr_beta_4_2.o ccsdt_lr_beta_4_2_1.o OFFSET_ccsdt_lr_beta_4_2_1.o ccsdt_lr_beta_4_2_1_1.o OFFSET_ccsdt_lr_beta_4_2_1_1.o ccsdt_lr_beta_4_2_1_1_1.o OFFSET_ccsdt_lr_beta_4_2_1_1_1.o ccsdt_lr_beta_4_2_1_1_2.o ccsdt_lr_beta_4_2_1_2.o ccsdt_lr_beta_4_2_1_2_1.o OFFSET_ccsdt_lr_beta_4_2_1_2_1.o ccsdt_lr_beta_4_2_1_2_2.o ccsdt_lr_beta_4_2_2.o ccsdt_lr_beta_4_2_2_1.o OFFSET_ccsdt_lr_beta_4_2_2_1.o ccsdt_lr_beta_4_2_2_1_1.o OFFSET_ccsdt_lr_beta_4_2_2_1_1.o ccsdt_lr_beta_4_2_2_2.o ccsdt_lr_beta_4_2_2_2_1.o OFFSET_ccsdt_lr_beta_4_2_2_2_1.o ccsdt_lr_beta_4_2_3.o ccsdt_lr_beta_4_2_3_1.o OFFSET_ccsdt_lr_beta_4_2_3_1.o ccsdt_lr_beta_4_2_3_1_1.o OFFSET_ccsdt_lr_beta_4_2_3_1_1.o ccsdt_lr_beta_4_2_3_1_2.o ccsdt_lr_beta_4_2_3_2.o ccsdt_lr_beta_4_2_3_2_1.o OFFSET_ccsdt_lr_beta_4_2_3_2_1.o ccsdt_lr_beta_4_2_3_2_2.o ccsdt_lr_beta_4_2_4.o ccsdt_lr_beta_4_2_4_1.o OFFSET_ccsdt_lr_beta_4_2_4_1.o ccsdt_lr_beta_4_2_4_1_1.o OFFSET_ccsdt_lr_beta_4_2_4_1_1.o ccsdt_lr_beta_4_2_4_2.o ccsdt_lr_beta_4_2_4_2_1.o OFFSET_ccsdt_lr_beta_4_2_4_2_1.o ccsdt_lr_beta_4_2_5.o ccsdt_lr_beta_4_2_5_1.o OFFSET_ccsdt_lr_beta_4_2_5_1.o ccsdt_lr_beta_4_2_5_1_1.o OFFSET_ccsdt_lr_beta_4_2_5_1_1.o ccsdt_lr_beta_4_2_5_1_2.o ccsdt_lr_beta_4_2_5_2.o ccsdt_lr_beta_4_2_5_2_1.o OFFSET_ccsdt_lr_beta_4_2_5_2_1.o ccsdt_lr_beta_4_2_5_2_2.o ccsdt_lr_beta_4_2_6.o ccsdt_lr_beta_4_2_6_1.o OFFSET_ccsdt_lr_beta_4_2_6_1.o ccsdt_lr_beta_4_2_6_1_1.o OFFSET_ccsdt_lr_beta_4_2_6_1_1.o ccsdt_lr_beta_4_2_6_2.o ccsdt_lr_beta_4_2_6_2_1.o OFFSET_ccsdt_lr_beta_4_2_6_2_1.o ccsdt_lr_beta_4_3.o ccsdt_lr_beta_4_3_1.o OFFSET_ccsdt_lr_beta_4_3_1.o ccsdt_lr_beta_4_3_1_1.o OFFSET_ccsdt_lr_beta_4_3_1_1.o ccsdt_lr_beta_4_3_1_1_1.o OFFSET_ccsdt_lr_beta_4_3_1_1_1.o ccsdt_lr_beta_4_3_1_2.o ccsdt_lr_beta_4_3_1_2_1.o OFFSET_ccsdt_lr_beta_4_3_1_2_1.o ccsdt_lr_beta_4_3_1_3.o ccsdt_lr_beta_4_3_1_3_1.o OFFSET_ccsdt_lr_beta_4_3_1_3_1.o ccsdt_lr_beta_4_3_1_4.o ccsdt_lr_beta_4_3_1_4_1.o OFFSET_ccsdt_lr_beta_4_3_1_4_1.o ccsdt_lr_beta_4_3_1_5.o ccsdt_lr_beta_4_3_1_5_1.o OFFSET_ccsdt_lr_beta_4_3_1_5_1.o ccsdt_lr_beta_4_3_1_6.o ccsdt_lr_beta_4_3_1_6_1.o OFFSET_ccsdt_lr_beta_4_3_1_6_1.o ccsdt_lr_beta_4_3_2.o ccsdt_lr_beta_4_3_2_1.o OFFSET_ccsdt_lr_beta_4_3_2_1.o ccsdt_lr_beta_4_3_2_1_1.o OFFSET_ccsdt_lr_beta_4_3_2_1_1.o ccsdt_lr_beta_4_3_2_2.o ccsdt_lr_beta_4_3_2_2_1.o OFFSET_ccsdt_lr_beta_4_3_2_2_1.o ccsdt_lr_beta_4_3_3.o ccsdt_lr_beta_4_3_3_1.o OFFSET_ccsdt_lr_beta_4_3_3_1.o ccsdt_lr_beta_4_3_3_1_1.o OFFSET_ccsdt_lr_beta_4_3_3_1_1.o ccsdt_lr_beta_4_3_3_2.o ccsdt_lr_beta_4_3_3_2_1.o OFFSET_ccsdt_lr_beta_4_3_3_2_1.o ccsdt_lr_beta_4_3_3_3.o ccsdt_lr_beta_4_3_3_3_1.o OFFSET_ccsdt_lr_beta_4_3_3_3_1.o ccsdt_lr_beta_4_3_3_4.o ccsdt_lr_beta_4_3_3_4_1.o OFFSET_ccsdt_lr_beta_4_3_3_4_1.o ccsdt_lr_beta_4_3_3_5.o ccsdt_lr_beta_4_3_3_5_1.o OFFSET_ccsdt_lr_beta_4_3_3_5_1.o ccsdt_lr_beta_4_3_3_6.o ccsdt_lr_beta_4_3_3_6_1.o OFFSET_ccsdt_lr_beta_4_3_3_6_1.o ccsdt_lr_beta_4_3_4.o ccsdt_lr_beta_4_3_4_1.o OFFSET_ccsdt_lr_beta_4_3_4_1.o ccsdt_lr_beta_4_3_4_1_1.o OFFSET_ccsdt_lr_beta_4_3_4_1_1.o ccsdt_lr_beta_4_3_4_2.o ccsdt_lr_beta_4_3_4_2_1.o OFFSET_ccsdt_lr_beta_4_3_4_2_1.o ccsdt_lr_beta_4_3_4_3.o ccsdt_lr_beta_4_3_4_3_1.o OFFSET_ccsdt_lr_beta_4_3_4_3_1.o ccsdt_lr_beta_4_3_4_4.o ccsdt_lr_beta_4_3_4_4_1.o OFFSET_ccsdt_lr_beta_4_3_4_4_1.o ccsdt_lr_beta_4_3_4_5.o ccsdt_lr_beta_4_3_4_5_1.o OFFSET_ccsdt_lr_beta_4_3_4_5_1.o ccsdt_lr_beta_4_3_4_6.o ccsdt_lr_beta_4_3_4_6_1.o OFFSET_ccsdt_lr_beta_4_3_4_6_1.o ccsdt_lr_beta_4_3_5.o ccsdt_lr_beta_4_3_5_1.o OFFSET_ccsdt_lr_beta_4_3_5_1.o ccsdt_lr_beta_4_3_5_1_1.o OFFSET_ccsdt_lr_beta_4_3_5_1_1.o ccsdt_lr_beta_4_3_5_2.o ccsdt_lr_beta_4_3_5_2_1.o OFFSET_ccsdt_lr_beta_4_3_5_2_1.o ccsdt_lr_beta_4_3_6.o ccsdt_lr_beta_4_3_6_1.o OFFSET_ccsdt_lr_beta_4_3_6_1.o ccsdt_lr_beta_4_3_6_1_1.o OFFSET_ccsdt_lr_beta_4_3_6_1_1.o ccsdt_lr_beta_4_3_6_2.o ccsdt_lr_beta_4_3_6_2_1.o OFFSET_ccsdt_lr_beta_4_3_6_2_1.o ccsdt_lr_beta_4_4.o ccsdt_lr_beta_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_1.o ccsdt_lr_beta_4_4_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_1.o ccsdt_lr_beta_4_4_1_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_1.o ccsdt_lr_beta_4_4_1_1_2.o ccsdt_lr_beta_4_4_1_1_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_2_1.o ccsdt_lr_beta_4_4_1_1_2_2.o ccsdt_lr_beta_4_4_1_1_3.o ccsdt_lr_beta_4_4_1_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_3_1.o ccsdt_lr_beta_4_4_1_1_3_2.o ccsdt_lr_beta_4_4_1_1_4.o ccsdt_lr_beta_4_4_1_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_4_1.o ccsdt_lr_beta_4_4_1_1_4_2.o ccsdt_lr_beta_4_4_1_2.o ccsdt_lr_beta_4_4_1_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_2_1.o ccsdt_lr_beta_4_4_1_3.o ccsdt_lr_beta_4_4_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_1_3_1.o ccsdt_lr_beta_4_4_1_4.o ccsdt_lr_beta_4_4_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_1_4_1.o ccsdt_lr_beta_4_4_1_4_2.o ccsdt_lr_beta_4_4_1_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_4_2_1.o ccsdt_lr_beta_4_4_1_4_2_2.o ccsdt_lr_beta_4_4_1_4_3.o ccsdt_lr_beta_4_4_1_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_1_4_3_1.o ccsdt_lr_beta_4_4_1_4_3_2.o ccsdt_lr_beta_4_4_1_5.o ccsdt_lr_beta_4_4_1_5_1.o OFFSET_ccsdt_lr_beta_4_4_1_5_1.o ccsdt_lr_beta_4_4_1_6.o ccsdt_lr_beta_4_4_1_6_1.o OFFSET_ccsdt_lr_beta_4_4_1_6_1.o ccsdt_lr_beta_4_4_1_7.o ccsdt_lr_beta_4_4_1_7_1.o OFFSET_ccsdt_lr_beta_4_4_1_7_1.o ccsdt_lr_beta_4_4_1_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_7_1_1.o ccsdt_lr_beta_4_4_1_7_2.o ccsdt_lr_beta_4_4_1_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_7_2_1.o ccsdt_lr_beta_4_4_1_8.o ccsdt_lr_beta_4_4_1_8_1.o OFFSET_ccsdt_lr_beta_4_4_1_8_1.o ccsdt_lr_beta_4_4_1_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_8_1_1.o ccsdt_lr_beta_4_4_1_8_2.o ccsdt_lr_beta_4_4_1_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_8_2_1.o ccsdt_lr_beta_4_4_1_9.o ccsdt_lr_beta_4_4_1_9_1.o OFFSET_ccsdt_lr_beta_4_4_1_9_1.o ccsdt_lr_beta_4_4_1_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_9_1_1.o ccsdt_lr_beta_4_4_1_9_1_2.o ccsdt_lr_beta_4_4_1_9_2.o ccsdt_lr_beta_4_4_1_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_9_2_1.o ccsdt_lr_beta_4_4_1_9_2_2.o ccsdt_lr_beta_4_4_1_10.o ccsdt_lr_beta_4_4_1_10_1.o OFFSET_ccsdt_lr_beta_4_4_1_10_1.o ccsdt_lr_beta_4_4_1_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_10_1_1.o ccsdt_lr_beta_4_4_1_10_2.o ccsdt_lr_beta_4_4_1_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_10_2_1.o ccsdt_lr_beta_4_4_2.o ccsdt_lr_beta_4_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_2_1.o ccsdt_lr_beta_4_4_2_1_1.o OFFSET_ccsdt_lr_beta_4_4_2_1_1.o ccsdt_lr_beta_4_4_2_2.o ccsdt_lr_beta_4_4_2_2_1.o OFFSET_ccsdt_lr_beta_4_4_2_2_1.o ccsdt_lr_beta_4_4_3.o ccsdt_lr_beta_4_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_3_1.o ccsdt_lr_beta_4_4_3_1_1.o OFFSET_ccsdt_lr_beta_4_4_3_1_1.o ccsdt_lr_beta_4_4_3_2.o ccsdt_lr_beta_4_4_3_2_1.o OFFSET_ccsdt_lr_beta_4_4_3_2_1.o ccsdt_lr_beta_4_4_4.o ccsdt_lr_beta_4_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_4_1.o ccsdt_lr_beta_4_4_4_1_1.o OFFSET_ccsdt_lr_beta_4_4_4_1_1.o ccsdt_lr_beta_4_4_4_2.o ccsdt_lr_beta_4_4_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_4_2_1.o ccsdt_lr_beta_4_4_5.o ccsdt_lr_beta_4_4_5_1.o OFFSET_ccsdt_lr_beta_4_4_5_1.o ccsdt_lr_beta_4_4_5_1_1.o OFFSET_ccsdt_lr_beta_4_4_5_1_1.o ccsdt_lr_beta_4_4_5_2.o ccsdt_lr_beta_4_4_5_2_1.o OFFSET_ccsdt_lr_beta_4_4_5_2_1.o ccsdt_lr_beta_4_4_5_3.o ccsdt_lr_beta_4_4_5_3_1.o OFFSET_ccsdt_lr_beta_4_4_5_3_1.o ccsdt_lr_beta_4_4_5_4.o ccsdt_lr_beta_4_4_5_4_1.o OFFSET_ccsdt_lr_beta_4_4_5_4_1.o ccsdt_lr_beta_4_4_6.o ccsdt_lr_beta_4_4_6_1.o OFFSET_ccsdt_lr_beta_4_4_6_1.o ccsdt_lr_beta_4_4_6_1_1.o OFFSET_ccsdt_lr_beta_4_4_6_1_1.o ccsdt_lr_beta_4_4_6_2.o ccsdt_lr_beta_4_4_6_2_1.o OFFSET_ccsdt_lr_beta_4_4_6_2_1.o ccsdt_lr_beta_4_4_7.o ccsdt_lr_beta_4_4_7_1.o OFFSET_ccsdt_lr_beta_4_4_7_1.o ccsdt_lr_beta_4_4_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_7_1_1.o ccsdt_lr_beta_4_4_7_2.o ccsdt_lr_beta_4_4_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_7_2_1.o ccsdt_lr_beta_4_4_8.o ccsdt_lr_beta_4_4_8_1.o OFFSET_ccsdt_lr_beta_4_4_8_1.o ccsdt_lr_beta_4_4_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_8_1_1.o ccsdt_lr_beta_4_4_8_2.o ccsdt_lr_beta_4_4_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_8_2_1.o ccsdt_lr_beta_4_4_9.o ccsdt_lr_beta_4_4_9_1.o OFFSET_ccsdt_lr_beta_4_4_9_1.o ccsdt_lr_beta_4_4_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_1_1.o ccsdt_lr_beta_4_4_9_1_2.o ccsdt_lr_beta_4_4_9_1_3.o ccsdt_lr_beta_4_4_9_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_9_1_3_1.o ccsdt_lr_beta_4_4_9_1_3_2.o ccsdt_lr_beta_4_4_9_1_4.o ccsdt_lr_beta_4_4_9_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_9_1_4_1.o ccsdt_lr_beta_4_4_9_1_4_2.o ccsdt_lr_beta_4_4_9_2.o ccsdt_lr_beta_4_4_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_2_1.o ccsdt_lr_beta_4_4_9_3.o ccsdt_lr_beta_4_4_9_3_1.o OFFSET_ccsdt_lr_beta_4_4_9_3_1.o ccsdt_lr_beta_4_4_9_4.o ccsdt_lr_beta_4_4_9_4_1.o OFFSET_ccsdt_lr_beta_4_4_9_4_1.o ccsdt_lr_beta_4_4_9_4_2.o ccsdt_lr_beta_4_4_9_4_3.o ccsdt_lr_beta_4_4_9_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_9_4_3_1.o ccsdt_lr_beta_4_4_9_4_3_2.o ccsdt_lr_beta_4_4_9_4_4.o ccsdt_lr_beta_4_4_9_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_9_4_4_1.o ccsdt_lr_beta_4_4_9_4_4_2.o ccsdt_lr_beta_4_4_9_5.o ccsdt_lr_beta_4_4_9_5_1.o OFFSET_ccsdt_lr_beta_4_4_9_5_1.o ccsdt_lr_beta_4_4_9_6.o ccsdt_lr_beta_4_4_9_6_1.o OFFSET_ccsdt_lr_beta_4_4_9_6_1.o ccsdt_lr_beta_4_4_9_7.o ccsdt_lr_beta_4_4_9_7_1.o OFFSET_ccsdt_lr_beta_4_4_9_7_1.o ccsdt_lr_beta_4_4_9_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_7_1_1.o ccsdt_lr_beta_4_4_9_7_2.o ccsdt_lr_beta_4_4_9_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_7_2_1.o ccsdt_lr_beta_4_4_9_8.o ccsdt_lr_beta_4_4_9_8_1.o OFFSET_ccsdt_lr_beta_4_4_9_8_1.o ccsdt_lr_beta_4_4_9_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_8_1_1.o ccsdt_lr_beta_4_4_9_8_1_2.o ccsdt_lr_beta_4_4_9_8_2.o ccsdt_lr_beta_4_4_9_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_8_2_1.o ccsdt_lr_beta_4_4_9_8_2_2.o ccsdt_lr_beta_4_4_9_9.o ccsdt_lr_beta_4_4_9_9_1.o OFFSET_ccsdt_lr_beta_4_4_9_9_1.o ccsdt_lr_beta_4_4_9_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_9_1_1.o ccsdt_lr_beta_4_4_9_9_2.o ccsdt_lr_beta_4_4_9_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_9_2_1.o ccsdt_lr_beta_4_4_9_10.o ccsdt_lr_beta_4_4_9_10_1.o OFFSET_ccsdt_lr_beta_4_4_9_10_1.o ccsdt_lr_beta_4_4_9_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_10_1_1.o ccsdt_lr_beta_4_4_9_10_2.o ccsdt_lr_beta_4_4_9_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_10_2_1.o ccsdt_lr_beta_4_4_10.o ccsdt_lr_beta_4_4_10_1.o OFFSET_ccsdt_lr_beta_4_4_10_1.o ccsdt_lr_beta_4_4_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_10_1_1.o ccsdt_lr_beta_4_4_10_2.o ccsdt_lr_beta_4_4_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_10_2_1.o ccsdt_lr_beta_4_4_11.o ccsdt_lr_beta_4_4_11_1.o OFFSET_ccsdt_lr_beta_4_4_11_1.o ccsdt_lr_beta_4_4_11_1_1.o OFFSET_ccsdt_lr_beta_4_4_11_1_1.o ccsdt_lr_beta_4_4_11_2.o ccsdt_lr_beta_4_4_11_2_1.o OFFSET_ccsdt_lr_beta_4_4_11_2_1.o ccsdt_lr_beta_4_4_12.o ccsdt_lr_beta_4_4_12_1.o OFFSET_ccsdt_lr_beta_4_4_12_1.o ccsdt_lr_beta_4_4_12_1_1.o OFFSET_ccsdt_lr_beta_4_4_12_1_1.o ccsdt_lr_beta_4_4_12_2.o ccsdt_lr_beta_4_4_12_2_1.o OFFSET_ccsdt_lr_beta_4_4_12_2_1.o ccsdt_lr_beta_4_4_13.o ccsdt_lr_beta_4_4_13_1.o OFFSET_ccsdt_lr_beta_4_4_13_1.o ccsdt_lr_beta_4_4_13_1_1.o OFFSET_ccsdt_lr_beta_4_4_13_1_1.o ccsdt_lr_beta_4_4_13_2.o ccsdt_lr_beta_4_4_13_2_1.o OFFSET_ccsdt_lr_beta_4_4_13_2_1.o ccsdt_lr_beta_4_4_13_3.o ccsdt_lr_beta_4_4_13_3_1.o OFFSET_ccsdt_lr_beta_4_4_13_3_1.o ccsdt_lr_beta_4_4_13_4.o ccsdt_lr_beta_4_4_13_4_1.o OFFSET_ccsdt_lr_beta_4_4_13_4_1.o ccsdt_lr_beta_4_4_14.o ccsdt_lr_beta_4_4_14_1.o OFFSET_ccsdt_lr_beta_4_4_14_1.o ccsdt_lr_beta_4_4_14_1_1.o OFFSET_ccsdt_lr_beta_4_4_14_1_1.o ccsdt_lr_beta_4_4_14_2.o ccsdt_lr_beta_4_4_14_2_1.o OFFSET_ccsdt_lr_beta_4_4_14_2_1.o ccsdt_lr_beta_4_4_15.o ccsdt_lr_beta_4_4_15_1.o OFFSET_ccsdt_lr_beta_4_4_15_1.o ccsdt_lr_beta_4_4_15_1_1.o OFFSET_ccsdt_lr_beta_4_4_15_1_1.o ccsdt_lr_beta_4_4_15_2.o ccsdt_lr_beta_4_4_15_2_1.o OFFSET_ccsdt_lr_beta_4_4_15_2_1.o ccsdt_lr_beta_4_4_16.o ccsdt_lr_beta_4_4_16_1.o OFFSET_ccsdt_lr_beta_4_4_16_1.o ccsdt_lr_beta_4_4_16_1_1.o OFFSET_ccsdt_lr_beta_4_4_16_1_1.o ccsdt_lr_beta_4_4_16_2.o ccsdt_lr_beta_4_4_16_2_1.o OFFSET_ccsdt_lr_beta_4_4_16_2_1.o ccsdt_lr_beta_4_4_17.o ccsdt_lr_beta_4_4_17_1.o OFFSET_ccsdt_lr_beta_4_4_17_1.o ccsdt_lr_beta_4_4_17_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_1_1.o ccsdt_lr_beta_4_4_17_1_2.o ccsdt_lr_beta_4_4_17_1_3.o ccsdt_lr_beta_4_4_17_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_17_1_3_1.o ccsdt_lr_beta_4_4_17_1_3_2.o ccsdt_lr_beta_4_4_17_1_4.o ccsdt_lr_beta_4_4_17_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_17_1_4_1.o ccsdt_lr_beta_4_4_17_1_4_2.o ccsdt_lr_beta_4_4_17_2.o ccsdt_lr_beta_4_4_17_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_2_1.o ccsdt_lr_beta_4_4_17_3.o ccsdt_lr_beta_4_4_17_3_1.o OFFSET_ccsdt_lr_beta_4_4_17_3_1.o ccsdt_lr_beta_4_4_17_4.o ccsdt_lr_beta_4_4_17_4_1.o OFFSET_ccsdt_lr_beta_4_4_17_4_1.o ccsdt_lr_beta_4_4_17_4_2.o ccsdt_lr_beta_4_4_17_4_3.o ccsdt_lr_beta_4_4_17_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_17_4_3_1.o ccsdt_lr_beta_4_4_17_4_3_2.o ccsdt_lr_beta_4_4_17_4_4.o ccsdt_lr_beta_4_4_17_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_17_4_4_1.o ccsdt_lr_beta_4_4_17_4_4_2.o ccsdt_lr_beta_4_4_17_5.o ccsdt_lr_beta_4_4_17_5_1.o OFFSET_ccsdt_lr_beta_4_4_17_5_1.o ccsdt_lr_beta_4_4_17_6.o ccsdt_lr_beta_4_4_17_6_1.o OFFSET_ccsdt_lr_beta_4_4_17_6_1.o ccsdt_lr_beta_4_4_17_7.o ccsdt_lr_beta_4_4_17_7_1.o OFFSET_ccsdt_lr_beta_4_4_17_7_1.o ccsdt_lr_beta_4_4_17_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_7_1_1.o ccsdt_lr_beta_4_4_17_7_2.o ccsdt_lr_beta_4_4_17_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_7_2_1.o ccsdt_lr_beta_4_4_17_8.o ccsdt_lr_beta_4_4_17_8_1.o OFFSET_ccsdt_lr_beta_4_4_17_8_1.o ccsdt_lr_beta_4_4_17_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_8_1_1.o ccsdt_lr_beta_4_4_17_8_2.o ccsdt_lr_beta_4_4_17_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_8_2_1.o ccsdt_lr_beta_4_4_17_9.o ccsdt_lr_beta_4_4_17_9_1.o OFFSET_ccsdt_lr_beta_4_4_17_9_1.o ccsdt_lr_beta_4_4_17_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_9_1_1.o ccsdt_lr_beta_4_4_17_9_1_2.o ccsdt_lr_beta_4_4_17_9_2.o ccsdt_lr_beta_4_4_17_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_9_2_1.o ccsdt_lr_beta_4_4_17_9_2_2.o ccsdt_lr_beta_4_4_17_10.o ccsdt_lr_beta_4_4_17_10_1.o OFFSET_ccsdt_lr_beta_4_4_17_10_1.o ccsdt_lr_beta_4_4_17_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_10_1_1.o ccsdt_lr_beta_4_4_17_10_2.o ccsdt_lr_beta_4_4_17_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_10_2_1.o ccsdt_lr_beta_4_4_18.o ccsdt_lr_beta_4_4_18_1.o OFFSET_ccsdt_lr_beta_4_4_18_1.o ccsdt_lr_beta_4_4_18_1_1.o OFFSET_ccsdt_lr_beta_4_4_18_1_1.o ccsdt_lr_beta_4_4_18_2.o ccsdt_lr_beta_4_4_18_2_1.o OFFSET_ccsdt_lr_beta_4_4_18_2_1.o ccsdt_lr_beta_4_4_19.o ccsdt_lr_beta_4_4_19_1.o OFFSET_ccsdt_lr_beta_4_4_19_1.o ccsdt_lr_beta_4_4_19_1_1.o OFFSET_ccsdt_lr_beta_4_4_19_1_1.o ccsdt_lr_beta_4_4_19_2.o ccsdt_lr_beta_4_4_19_2_1.o OFFSET_ccsdt_lr_beta_4_4_19_2_1.o ccsdt_lr_beta_4_4_20.o ccsdt_lr_beta_4_4_20_1.o OFFSET_ccsdt_lr_beta_4_4_20_1.o ccsdt_lr_beta_4_4_20_1_1.o OFFSET_ccsdt_lr_beta_4_4_20_1_1.o ccsdt_lr_beta_4_4_20_2.o ccsdt_lr_beta_4_4_20_2_1.o OFFSET_ccsdt_lr_beta_4_4_20_2_1.o ccsdt_lr_beta_4_4_21.o ccsdt_lr_beta_4_4_21_1.o OFFSET_ccsdt_lr_beta_4_4_21_1.o ccsdt_lr_beta_4_4_21_1_1.o OFFSET_ccsdt_lr_beta_4_4_21_1_1.o ccsdt_lr_beta_4_4_21_2.o ccsdt_lr_beta_4_4_21_2_1.o OFFSET_ccsdt_lr_beta_4_4_21_2_1.o ccsdt_lr_beta_4_4_21_3.o ccsdt_lr_beta_4_4_21_3_1.o OFFSET_ccsdt_lr_beta_4_4_21_3_1.o ccsdt_lr_beta_4_4_21_4.o ccsdt_lr_beta_4_4_21_4_1.o OFFSET_ccsdt_lr_beta_4_4_21_4_1.o ccsdt_lr_beta_4_4_22.o ccsdt_lr_beta_4_4_22_1.o OFFSET_ccsdt_lr_beta_4_4_22_1.o ccsdt_lr_beta_4_4_22_1_1.o OFFSET_ccsdt_lr_beta_4_4_22_1_1.o ccsdt_lr_beta_4_4_22_2.o ccsdt_lr_beta_4_4_22_2_1.o OFFSET_ccsdt_lr_beta_4_4_22_2_1.o ccsdt_lr_beta_4_4_23.o ccsdt_lr_beta_4_4_23_1.o OFFSET_ccsdt_lr_beta_4_4_23_1.o ccsdt_lr_beta_4_4_23_1_1.o OFFSET_ccsdt_lr_beta_4_4_23_1_1.o ccsdt_lr_beta_4_4_23_2.o ccsdt_lr_beta_4_4_23_2_1.o OFFSET_ccsdt_lr_beta_4_4_23_2_1.o ccsdt_lr_beta_4_4_24.o ccsdt_lr_beta_4_4_24_1.o OFFSET_ccsdt_lr_beta_4_4_24_1.o ccsdt_lr_beta_4_4_24_1_1.o OFFSET_ccsdt_lr_beta_4_4_24_1_1.o ccsdt_lr_beta_4_4_24_2.o ccsdt_lr_beta_4_4_24_2_1.o OFFSET_ccsdt_lr_beta_4_4_24_2_1.o ccsdt_lr_beta_4_4_25.o ccsdt_lr_beta_4_4_25_1.o OFFSET_ccsdt_lr_beta_4_4_25_1.o ccsdt_lr_beta_4_4_25_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_1_1.o ccsdt_lr_beta_4_4_25_1_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_1_1_1.o ccsdt_lr_beta_4_4_25_1_1_2.o ccsdt_lr_beta_4_4_25_1_2.o ccsdt_lr_beta_4_4_25_1_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_1_2_1.o ccsdt_lr_beta_4_4_25_1_2_2.o ccsdt_lr_beta_4_4_25_2.o ccsdt_lr_beta_4_4_25_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_2_1.o ccsdt_lr_beta_4_4_25_2_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_2_1_1.o ccsdt_lr_beta_4_4_25_2_2.o ccsdt_lr_beta_4_4_25_2_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_2_2_1.o ccsdt_lr_beta_4_4_25_3.o ccsdt_lr_beta_4_4_25_3_1.o OFFSET_ccsdt_lr_beta_4_4_25_3_1.o ccsdt_lr_beta_4_4_25_3_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_3_1_1.o ccsdt_lr_beta_4_4_25_3_1_2.o ccsdt_lr_beta_4_4_25_3_2.o ccsdt_lr_beta_4_4_25_3_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_3_2_1.o ccsdt_lr_beta_4_4_25_3_2_2.o ccsdt_lr_beta_4_4_25_4.o ccsdt_lr_beta_4_4_25_4_1.o OFFSET_ccsdt_lr_beta_4_4_25_4_1.o ccsdt_lr_beta_4_4_25_4_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_4_1_1.o ccsdt_lr_beta_4_4_25_4_2.o ccsdt_lr_beta_4_4_25_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_4_2_1.o ccsdt_lr_beta_4_4_25_5.o ccsdt_lr_beta_4_4_25_5_1.o OFFSET_ccsdt_lr_beta_4_4_25_5_1.o ccsdt_lr_beta_4_4_25_5_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_5_1_1.o ccsdt_lr_beta_4_4_25_5_1_2.o ccsdt_lr_beta_4_4_25_5_2.o ccsdt_lr_beta_4_4_25_5_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_5_2_1.o ccsdt_lr_beta_4_4_25_5_2_2.o ccsdt_lr_beta_4_4_25_6.o ccsdt_lr_beta_4_4_25_6_1.o OFFSET_ccsdt_lr_beta_4_4_25_6_1.o ccsdt_lr_beta_4_4_25_6_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_6_1_1.o ccsdt_lr_beta_4_4_25_6_2.o ccsdt_lr_beta_4_4_25_6_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_6_2_1.o ccsdt_lr_beta_4_5.o ccsdt_lr_beta_4_5_1.o OFFSET_ccsdt_lr_beta_4_5_1.o ccsdt_lr_beta_4_5_1_1.o OFFSET_ccsdt_lr_beta_4_5_1_1.o ccsdt_lr_beta_4_5_1_1_1.o OFFSET_ccsdt_lr_beta_4_5_1_1_1.o ccsdt_lr_beta_4_5_1_2.o ccsdt_lr_beta_4_5_1_2_1.o OFFSET_ccsdt_lr_beta_4_5_1_2_1.o ccsdt_lr_beta_4_5_1_3.o ccsdt_lr_beta_4_5_1_3_1.o OFFSET_ccsdt_lr_beta_4_5_1_3_1.o ccsdt_lr_beta_4_5_1_4.o ccsdt_lr_beta_4_5_1_4_1.o OFFSET_ccsdt_lr_beta_4_5_1_4_1.o ccsdt_lr_beta_4_5_2.o ccsdt_lr_beta_4_5_2_1.o OFFSET_ccsdt_lr_beta_4_5_2_1.o ccsdt_lr_beta_4_5_2_1_1.o OFFSET_ccsdt_lr_beta_4_5_2_1_1.o ccsdt_lr_beta_4_5_2_2.o ccsdt_lr_beta_4_5_2_2_1.o OFFSET_ccsdt_lr_beta_4_5_2_2_1.o ccsdt_lr_beta_4_5_2_3.o ccsdt_lr_beta_4_5_2_3_1.o OFFSET_ccsdt_lr_beta_4_5_2_3_1.o ccsdt_lr_beta_4_5_2_4.o ccsdt_lr_beta_4_5_2_4_1.o OFFSET_ccsdt_lr_beta_4_5_2_4_1.o ccsdt_lr_beta_4_5_3.o ccsdt_lr_beta_4_5_3_1.o OFFSET_ccsdt_lr_beta_4_5_3_1.o ccsdt_lr_beta_4_5_3_1_1.o OFFSET_ccsdt_lr_beta_4_5_3_1_1.o ccsdt_lr_beta_4_5_3_2.o ccsdt_lr_beta_4_5_3_2_1.o OFFSET_ccsdt_lr_beta_4_5_3_2_1.o ccsdt_lr_beta_4_5_3_3.o ccsdt_lr_beta_4_5_3_3_1.o OFFSET_ccsdt_lr_beta_4_5_3_3_1.o ccsdt_lr_beta_4_5_3_4.o ccsdt_lr_beta_4_5_3_4_1.o OFFSET_ccsdt_lr_beta_4_5_3_4_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' Making all in ccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Compiling ccsdt_e.F... Compiling ccsdt_t1.F... Compiling ccsdt_t2.F... Compiling ccsdt_t3.F... Compiling ccsdt_t1a.F... Compiling ccsdt_t2a.F... Compiling ccsdt_t3a.F... Compiling ccsdt_t3_1.F... Compiling ccsdt_t3_1_1.F... Compiling OFFSET_ccsdt_t3_1_1.F... Compiling ccsdt_t3_1_2.F... Compiling ccsdt_t3_1_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_1.F... Compiling ccsdt_t3_1_2_2.F... Compiling ccsdt_t3_1_2_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_2_1.F... Compiling ccsdt_t3_1_2_2_2.F... Compiling ccsdt_t3_1_2_3.F... Compiling ccsdt_t3_1_3.F... Compiling ccsdt_t3_1_3_1.F... Compiling OFFSET_ccsdt_t3_1_3_1.F... Compiling ccsdt_t3_1_3_2.F... Compiling ccsdt_t3_1_4.F... Compiling ccsdt_t3_1_4_1.F... Compiling OFFSET_ccsdt_t3_1_4_1.F... Compiling ccsdt_t3_1_4_2.F... Compiling ccsdt_t3_1_5.F... Compiling ccsdt_t3_1_5_1.F... Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... Compiling ccsdt_t3_1_6.F... Compiling ccsdt_t3_1_7.F... Compiling ccsdt_t3_2.F... Compiling ccsdt_t3_2_1.F... Compiling OFFSET_ccsdt_t3_2_1.F... Compiling ccsdt_t3_2_2.F... Compiling ccsdt_t3_2_3.F... Compiling ccsdt_t3_2_3_1.F... Compiling OFFSET_ccsdt_t3_2_3_1.F... Compiling ccsdt_t3_2_3_2.F... Compiling ccsdt_t3_2_4.F... Compiling ccsdt_t3_2_5.F... Compiling ccsdt_t3_3.F... Compiling ccsdt_t3_3_1.F... Compiling OFFSET_ccsdt_t3_3_1.F... Compiling ccsdt_t3_3_2.F... Compiling ccsdt_t3_3_2_1.F... Compiling OFFSET_ccsdt_t3_3_2_1.F... Compiling ccsdt_t3_3_2_2.F... Compiling ccsdt_t3_3_3.F... Compiling ccsdt_t3_3_4.F... Compiling ccsdt_t3_4.F... Compiling ccsdt_t3_4_1.F... Compiling OFFSET_ccsdt_t3_4_1.F... Compiling ccsdt_t3_4_2.F... Compiling ccsdt_t3_4_3.F... Compiling ccsdt_t3_5.F... Compiling ccsdt_t3_5_1.F... Compiling OFFSET_ccsdt_t3_5_1.F... Compiling ccsdt_t3_5_2.F... Compiling ccsdt_t3_5_2_1.F... Compiling OFFSET_ccsdt_t3_5_2_1.F... Compiling ccsdt_t3_5_2_2.F... Compiling ccsdt_t3_5_3.F... Compiling ccsdt_t3_6.F... Compiling ccsdt_t3_6_1.F... Compiling OFFSET_ccsdt_t3_6_1.F... Compiling ccsdt_t3_6_2.F... Compiling ccsdt_t3_6_3.F... Compiling ccsdt_t3_7.F... Compiling ccsdt_t3_8.F... Compiling ccsdt_t3_8_1.F... Compiling OFFSET_ccsdt_t3_8_1.F... Compiling ccsdt_t3_8_1_1.F... Compiling OFFSET_ccsdt_t3_8_1_1.F... Compiling ccsdt_t3_8_1_2.F... Compiling ccsdt_t3_8_1_2_1.F... Compiling OFFSET_ccsdt_t3_8_1_2_1.F... Compiling ccsdt_t3_8_1_2_2.F... Compiling ccsdt_t3_8_1_3.F... Compiling ccsdt_t3_8_1_4.F... Compiling ccsdt_t3_8_2.F... Compiling ccsdt_t3_8_2_1.F... Compiling OFFSET_ccsdt_t3_8_2_1.F... Compiling ccsdt_t3_8_2_2.F... Compiling ccsdt_t3_8_3.F... Compiling ccsdt_t3_8_3_1.F... Compiling OFFSET_ccsdt_t3_8_3_1.F... Compiling ccsdt_t3_8_3_2.F... Compiling ccsdt_t3_8_4.F... Compiling ccsdt_t3_8_5.F... Compiling ccsdt_t3_8_5_1.F... Compiling OFFSET_ccsdt_t3_8_5_1.F... Compiling ccsdt_t3_9.F... Compiling ccsdt_t3_9_1.F... Compiling OFFSET_ccsdt_t3_9_1.F... Compiling ccsdt_t3a_1.F... Compiling ccsdt_t3a_1_1.F... Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... Compiling ccsdt_t3a_1_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_1.F... Compiling ccsdt_t3a_1_2_2.F... Compiling ccsdt_t3a_1_2_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... Compiling ccsdt_t3a_1_2_2_2.F... Compiling ccsdt_t3a_1_2_3.F... Compiling ccsdt_t3a_1_3.F... Compiling ccsdt_t3a_1_3_1.F... Compiling OFFSET_ccsdt_t3a_1_3_1.F... Compiling ccsdt_t3a_1_3_2.F... Compiling ccsdt_t3a_1_4.F... Compiling ccsdt_t3a_1_4_1.F... Compiling OFFSET_ccsdt_t3a_1_4_1.F... Compiling ccsdt_t3a_1_4_2.F... Compiling ccsdt_t3a_1_5.F... Compiling ccsdt_t3a_1_5_1.F... Compiling OFFSET_ccsdt_t3a_1_5_1.F... Compiling ccsdt_t3a_1_5_2.F... Compiling ccsdt_t3a_1_6.F... Compiling ccsdt_t3a_1_7.F... Compiling ccsdt_t3a_2.F... Compiling ccsdt_t3a_2_1.F... Compiling OFFSET_ccsdt_t3a_2_1.F... Compiling ccsdt_t3a_2_2.F... Compiling ccsdt_t3a_2_3.F... Compiling ccsdt_t3a_2_3_1.F... Compiling OFFSET_ccsdt_t3a_2_3_1.F... Compiling ccsdt_t3a_2_3_2.F... Compiling ccsdt_t3a_2_4.F... Compiling ccsdt_t3a_2_5.F... Compiling ccsdt_t3a_3.F... Compiling ccsdt_t3a_3_1.F... Compiling OFFSET_ccsdt_t3a_3_1.F... Compiling ccsdt_t3a_3_2.F... Compiling ccsdt_t3a_3_2_1.F... Compiling OFFSET_ccsdt_t3a_3_2_1.F... Compiling ccsdt_t3a_3_2_2.F... Compiling ccsdt_t3a_3_3.F... Compiling ccsdt_t3a_3_4.F... Compiling ccsdt_t3a_4.F... Compiling ccsdt_t3a_4_1.F... Compiling OFFSET_ccsdt_t3a_4_1.F... Compiling ccsdt_t3a_4_2.F... Compiling ccsdt_t3a_4_3.F... Compiling ccsdt_t3a_5.F... Compiling ccsdt_t3a_5_1.F... Compiling OFFSET_ccsdt_t3a_5_1.F... Compiling ccsdt_t3a_5_2.F... Compiling ccsdt_t3a_5_2_1.F... Compiling OFFSET_ccsdt_t3a_5_2_1.F... Compiling ccsdt_t3a_5_2_2.F... Compiling ccsdt_t3a_5_3.F... Compiling ccsdt_t3a_6.F... Compiling ccsdt_t3a_6_1.F... Compiling OFFSET_ccsdt_t3a_6_1.F... Compiling ccsdt_t3a_6_2.F... Compiling ccsdt_t3a_6_3.F... Compiling ccsdt_t3a_7.F... Compiling ccsdt_t3a_8.F... Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... Compiling ccsdt_t3a_8_1_1.F... Compiling OFFSET_ccsdt_t3a_8_1_1.F... Compiling ccsdt_t3a_8_1_2.F... Compiling ccsdt_t3a_8_1_2_1.F... Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... Compiling ccsdt_t3a_8_1_2_2.F... Compiling ccsdt_t3a_8_1_3.F... Compiling ccsdt_t3a_8_1_4.F... Compiling ccsdt_t3a_8_2.F... Compiling ccsdt_t3a_8_2_1.F... Compiling OFFSET_ccsdt_t3a_8_2_1.F... Compiling ccsdt_t3a_8_2_2.F... Compiling ccsdt_t3a_8_3.F... Compiling ccsdt_t3a_8_3_1.F... Compiling OFFSET_ccsdt_t3a_8_3_1.F... Compiling ccsdt_t3a_8_3_2.F... Compiling ccsdt_t3a_8_4.F... Compiling ccsdt_t3a_8_5.F... Compiling ccsdt_t3a_8_5_1.F... Compiling OFFSET_ccsdt_t3a_8_5_1.F... Compiling ccsdt_t3a_9.F... Compiling ccsdt_t3a_9_1.F... Compiling OFFSET_ccsdt_t3a_9_1.F... Compiling acolo.F... Compiling acolo_o.F... Compiling acolo_o_1p.F... Compiling acolo_o_2p.F... Compiling acolo_1p_2h.F... Compiling acolo_2h.F... Compiling acolo_1h.F... Compiling acolo_1p_1h.F... Compiling acolo_2p_1h.F... Compiling acolo_1p.F... Compiling acolo_1a_2h.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Making all in ccsdt_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... Compiling ccsdt_lambda1.F... Compiling ccsdt_lambda1_1.F... Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_1.F... Compiling ccsdt_lambda1_2_2.F... Compiling ccsdt_lambda1_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_2_1.F... Compiling ccsdt_lambda1_2_2_2.F... Compiling ccsdt_lambda1_2_3.F... Compiling ccsdt_lambda1_2_4.F... Compiling ccsdt_lambda1_3.F... Compiling ccsdt_lambda1_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_1.F... Compiling ccsdt_lambda1_3_2.F... Compiling ccsdt_lambda1_3_3.F... Compiling ccsdt_lambda1_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... Compiling ccsdt_lambda1_5.F... Compiling ccsdt_lambda1_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_1.F... Compiling ccsdt_lambda1_5_2.F... Compiling ccsdt_lambda1_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_1.F... Compiling ccsdt_lambda1_5_2_2.F... Compiling ccsdt_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... Compiling ccsdt_lambda1_5_2_2_2.F... Compiling ccsdt_lambda1_5_2_3.F... Compiling ccsdt_lambda1_5_2_4.F... Compiling ccsdt_lambda1_5_3.F... Compiling ccsdt_lambda1_5_3_1.F... Compiling OFFSET_ccsdt_lambda1_5_3_1.F... Compiling ccsdt_lambda1_5_3_2.F... Compiling ccsdt_lambda1_5_4.F... Compiling ccsdt_lambda1_5_5.F... Compiling ccsdt_lambda1_5_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_5_1.F... Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... Compiling ccsdt_lambda1_5_6_1.F... Compiling OFFSET_ccsdt_lambda1_5_6_1.F... Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6.F... Compiling ccsdt_lambda1_6_1.F... Compiling OFFSET_ccsdt_lambda1_6_1.F... Compiling ccsdt_lambda1_6_2.F... Compiling ccsdt_lambda1_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_1.F... Compiling ccsdt_lambda1_6_2_2.F... Compiling ccsdt_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... Compiling ccsdt_lambda1_6_2_2_2.F... Compiling ccsdt_lambda1_6_2_3.F... Compiling ccsdt_lambda1_6_3.F... Compiling ccsdt_lambda1_6_3_1.F... Compiling OFFSET_ccsdt_lambda1_6_3_1.F... Compiling ccsdt_lambda1_6_3_2.F... Compiling ccsdt_lambda1_6_4.F... Compiling ccsdt_lambda1_6_4_1.F... Compiling OFFSET_ccsdt_lambda1_6_4_1.F... Compiling ccsdt_lambda1_6_4_2.F... Compiling ccsdt_lambda1_6_5.F... Compiling ccsdt_lambda1_6_5_1.F... Compiling OFFSET_ccsdt_lambda1_6_5_1.F... Compiling ccsdt_lambda1_6_5_2.F... Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... Compiling ccsdt_lambda1_7.F... Compiling ccsdt_lambda1_7_1.F... Compiling OFFSET_ccsdt_lambda1_7_1.F... Compiling ccsdt_lambda1_7_2.F... Compiling ccsdt_lambda1_8.F... Compiling ccsdt_lambda1_8_1.F... Compiling OFFSET_ccsdt_lambda1_8_1.F... Compiling ccsdt_lambda1_8_2.F... Compiling ccsdt_lambda1_8_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_1.F... Compiling ccsdt_lambda1_8_2_2.F... Compiling ccsdt_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_3.F... Compiling ccsdt_lambda1_8_2_3.F... Compiling ccsdt_lambda1_8_2_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... Compiling ccsdt_lambda1_8_2_3_2.F... Compiling ccsdt_lambda1_8_2_4.F... Compiling ccsdt_lambda1_8_2_5.F... Compiling ccsdt_lambda1_8_2_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... Compiling ccsdt_lambda1_8_3.F... Compiling ccsdt_lambda1_8_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_3_1.F... Compiling ccsdt_lambda1_8_3_2.F... Compiling ccsdt_lambda1_8_4.F... Compiling ccsdt_lambda1_8_4_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_1.F... Compiling ccsdt_lambda1_8_4_2.F... Compiling ccsdt_lambda1_8_4_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... Compiling ccsdt_lambda1_8_5.F... Compiling ccsdt_lambda1_8_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_1.F... Compiling ccsdt_lambda1_8_5_2.F... Compiling ccsdt_lambda1_8_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_2_1.F... Compiling ccsdt_lambda1_8_6.F... Compiling ccsdt_lambda1_8_6_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_1.F... Compiling ccsdt_lambda1_8_6_2.F... Compiling ccsdt_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_2_1.F... Compiling ccsdt_lambda1_8_6_2_2.F... Compiling ccsdt_lambda1_8_6_3.F... Compiling ccsdt_lambda1_8_7.F... Compiling ccsdt_lambda1_8_7_1.F... Compiling OFFSET_ccsdt_lambda1_8_7_1.F... Compiling ccsdt_lambda1_8_7_2.F... Compiling ccsdt_lambda1_8_7_3.F... Compiling ccsdt_lambda1_8_8.F... Compiling ccsdt_lambda1_8_9.F... Compiling ccsdt_lambda1_8_9_1.F... Compiling OFFSET_ccsdt_lambda1_8_9_1.F... Compiling ccsdt_lambda1_8_9_2.F... Compiling ccsdt_lambda1_8_10.F... Compiling ccsdt_lambda1_8_10_1.F... Compiling OFFSET_ccsdt_lambda1_8_10_1.F... Compiling ccsdt_lambda1_8_10_2.F... Compiling ccsdt_lambda1_8_11.F... Compiling ccsdt_lambda1_8_12.F... Compiling ccsdt_lambda1_8_12_1.F... Compiling OFFSET_ccsdt_lambda1_8_12_1.F... Compiling ccsdt_lambda1_8_12_2.F... Compiling ccsdt_lambda1_8_12_3.F... Compiling ccsdt_lambda1_8_13.F... Compiling ccsdt_lambda1_8_13_1.F... Compiling OFFSET_ccsdt_lambda1_8_13_1.F... Compiling ccsdt_lambda1_8_13_2.F... Compiling ccsdt_lambda1_8_13_3.F... Compiling ccsdt_lambda1_8_14.F... Compiling ccsdt_lambda1_8_14_1.F... Compiling OFFSET_ccsdt_lambda1_8_14_1.F... Compiling ccsdt_lambda1_8_14_2.F... Compiling ccsdt_lambda1_9.F... Compiling ccsdt_lambda1_9_1.F... Compiling OFFSET_ccsdt_lambda1_9_1.F... Compiling ccsdt_lambda1_9_2.F... Compiling ccsdt_lambda1_9_3.F... Compiling ccsdt_lambda1_9_4.F... Compiling ccsdt_lambda1_9_4_1.F... Compiling OFFSET_ccsdt_lambda1_9_4_1.F... Compiling ccsdt_lambda1_9_4_2.F... Compiling ccsdt_lambda1_9_4_3.F... Compiling ccsdt_lambda1_9_5.F... Compiling ccsdt_lambda1_9_5_1.F... Compiling OFFSET_ccsdt_lambda1_9_5_1.F... Compiling ccsdt_lambda1_9_5_2.F... Compiling ccsdt_lambda1_9_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_9_5_2_1.F... Compiling ccsdt_lambda1_9_5_2_2.F... Compiling ccsdt_lambda1_9_6.F... Compiling ccsdt_lambda1_9_6_1.F... Compiling OFFSET_ccsdt_lambda1_9_6_1.F... Compiling ccsdt_lambda1_10.F... Compiling ccsdt_lambda1_10_1.F... Compiling OFFSET_ccsdt_lambda1_10_1.F... Compiling ccsdt_lambda1_10_2.F... Compiling ccsdt_lambda1_10_3.F... Compiling ccsdt_lambda1_11.F... Compiling ccsdt_lambda1_11_1.F... Compiling OFFSET_ccsdt_lambda1_11_1.F... Compiling ccsdt_lambda1_11_2.F... Compiling ccsdt_lambda1_11_3.F... Compiling ccsdt_lambda1_12.F... Compiling ccsdt_lambda1_12_1.F... Compiling OFFSET_ccsdt_lambda1_12_1.F... Compiling ccsdt_lambda1_12_2.F... Compiling ccsdt_lambda1_12_3.F... Compiling ccsdt_lambda1_13.F... Compiling ccsdt_lambda1_13_1.F... Compiling OFFSET_ccsdt_lambda1_13_1.F... Compiling ccsdt_lambda1_13_2.F... Compiling ccsdt_lambda1_14.F... Compiling ccsdt_lambda1_14_1.F... Compiling OFFSET_ccsdt_lambda1_14_1.F... Compiling ccsdt_lambda1_14_2.F... Compiling ccsdt_lambda1_14_3.F... Compiling ccsdt_lambda1_14_3_1.F... Compiling OFFSET_ccsdt_lambda1_14_3_1.F... Compiling ccsdt_lambda1_14_3_2.F... Compiling ccsdt_lambda1_14_3_3.F... Compiling ccsdt_lambda1_14_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_14_3_3_1.F... Compiling ccsdt_lambda1_14_3_3_2.F... Compiling ccsdt_lambda1_14_4.F... Compiling ccsdt_lambda1_14_4_1.F... Compiling OFFSET_ccsdt_lambda1_14_4_1.F... Compiling ccsdt_lambda1_14_5.F... Compiling ccsdt_lambda1_14_5_1.F... Compiling OFFSET_ccsdt_lambda1_14_5_1.F... Compiling ccsdt_lambda1_14_5_2.F... Compiling ccsdt_lambda1_14_6.F... Compiling ccsdt_lambda1_14_6_1.F... Compiling OFFSET_ccsdt_lambda1_14_6_1.F... Compiling ccsdt_lambda1_14_7.F... Compiling ccsdt_lambda1_14_7_1.F... Compiling OFFSET_ccsdt_lambda1_14_7_1.F... Compiling ccsdt_lambda1_14_8.F... Compiling ccsdt_lambda1_14_8_1.F... Compiling OFFSET_ccsdt_lambda1_14_8_1.F... Compiling ccsdt_lambda1_14_8_1_1.F... Compiling OFFSET_ccsdt_lambda1_14_8_1_1.F... Compiling ccsdt_lambda1_14_8_1_2.F... Compiling ccsdt_lambda1_14_9.F... Compiling ccsdt_lambda1_14_9_1.F... Compiling OFFSET_ccsdt_lambda1_14_9_1.F... Compiling ccsdt_lambda1_14_9_1_1.F... Compiling OFFSET_ccsdt_lambda1_14_9_1_1.F... Compiling ccsdt_lambda1_15.F... Compiling ccsdt_lambda1_15_1.F... Compiling OFFSET_ccsdt_lambda1_15_1.F... Compiling ccsdt_lambda1_15_2.F... Compiling ccsdt_lambda1_15_3.F... Compiling ccsdt_lambda1_15_3_1.F... Compiling OFFSET_ccsdt_lambda1_15_3_1.F... Compiling ccsdt_lambda1_15_4.F... Compiling ccsdt_lambda1_15_4_1.F... Compiling OFFSET_ccsdt_lambda1_15_4_1.F... Compiling ccsdt_lambda1_16.F... Compiling ccsdt_lambda1_16_1.F... Compiling OFFSET_ccsdt_lambda1_16_1.F... Compiling ccsdt_lambda1_16_2.F... Compiling ccsdt_lambda1_16_3.F... Compiling ccsdt_lambda1_16_3_1.F... Compiling OFFSET_ccsdt_lambda1_16_3_1.F... Compiling ccsdt_lambda1_16_3_2.F... Compiling ccsdt_lambda1_16_4.F... Compiling ccsdt_lambda1_16_4_1.F... Compiling OFFSET_ccsdt_lambda1_16_4_1.F... Compiling ccsdt_lambda1_17.F... Compiling ccsdt_lambda1_17_1.F... Compiling OFFSET_ccsdt_lambda1_17_1.F... Compiling ccsdt_lambda1_18.F... Compiling ccsdt_lambda1_18_1.F... Compiling OFFSET_ccsdt_lambda1_18_1.F... Compiling ccsdt_lambda1_18_1_1.F... Compiling OFFSET_ccsdt_lambda1_18_1_1.F... Compiling ccsdt_lambda1_18_1_2.F... Compiling ccsdt_lambda1_18_1_3.F... Compiling ccsdt_lambda1_18_1_4.F... Compiling ccsdt_lambda1_18_1_4_1.F... Compiling OFFSET_ccsdt_lambda1_18_1_4_1.F... Compiling ccsdt_lambda1_18_1_4_2.F... Compiling ccsdt_lambda1_18_2.F... Compiling ccsdt_lambda1_18_2_1.F... Compiling OFFSET_ccsdt_lambda1_18_2_1.F... Compiling ccsdt_lambda1_18_2_2.F... Compiling ccsdt_lambda1_18_3.F... Compiling ccsdt_lambda1_18_3_1.F... 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Compiling OFFSET_ccsdt_lambda2_26_2_1_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Making all in eomccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Compiling eomccsdt_x1.F... Compiling eomccsdt_x2.F... Compiling eomccsdt_y3.F... Compiling eomccsdt_density1.F... Compiling eomccsdt_denominator.F... Compiling eomccsdt_x1a.F... Compiling eomccsdt_x2a.F... Compiling eomccsdt_density1_1_1.F... Compiling eomccsdt_density1_1_2.F... Compiling eomccsdt_density1_1_3.F... Compiling eomccsdt_density1_1.F... Compiling eomccsdt_density1_2_1.F... Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... Compiling eomccsdt_density1_2.F... Compiling eomccsdt_density1_3_1.F... Compiling eomccsdt_density1_3_2.F... Compiling eomccsdt_density1_3_3.F... Compiling eomccsdt_density1_3_4_1.F... Compiling eomccsdt_density1_3_4_2.F... Compiling eomccsdt_density1_3_4_3.F... Compiling eomccsdt_density1_3_4.F... Compiling eomccsdt_density1_3_5_1.F... Compiling eomccsdt_density1_3_5_2.F... Compiling eomccsdt_density1_3_5.F... Compiling eomccsdt_density1_3_6_1.F... Compiling eomccsdt_density1_3_6.F... Compiling eomccsdt_density1_3.F... Compiling eomccsdt_density1_4_1.F... Compiling eomccsdt_density1_4_2_1.F... Compiling eomccsdt_density1_4_2.F... Compiling eomccsdt_density1_4.F... Compiling eomccsdt_density1_5_10_1.F... Compiling eomccsdt_density1_5_10_2_1.F... Compiling eomccsdt_density1_5_10_2_2_1.F... Compiling eomccsdt_density1_5_10_2_2_2.F... Compiling eomccsdt_density1_5_10_2_2.F... Compiling eomccsdt_density1_5_10_2.F... Compiling eomccsdt_density1_5_10_3_1.F... Compiling eomccsdt_density1_5_10_3.F... Compiling eomccsdt_density1_5_10.F... Compiling eomccsdt_density1_5_11_1.F... Compiling eomccsdt_density1_5_11.F... Compiling eomccsdt_density1_5_12_1.F... Compiling eomccsdt_density1_5_12.F... Compiling eomccsdt_density1_5_13_1_1.F... Compiling eomccsdt_density1_5_13_1.F... Compiling eomccsdt_density1_5_13.F... Compiling eomccsdt_density1_5_1.F... Compiling eomccsdt_density1_5_2.F... Compiling eomccsdt_density1_5_3_1.F... Compiling eomccsdt_density1_5_3_2.F... Compiling eomccsdt_density1_5_3_3.F... Compiling eomccsdt_density1_5_3_4_1.F... Compiling eomccsdt_density1_5_3_4_2.F... Compiling eomccsdt_density1_5_3_4_3.F... Compiling eomccsdt_density1_5_3_4.F... Compiling eomccsdt_density1_5_3_5_1.F... Compiling eomccsdt_density1_5_3_5_2.F... Compiling eomccsdt_density1_5_3_5.F... Compiling eomccsdt_density1_5_3_6_1.F... Compiling eomccsdt_density1_5_3_6.F... Compiling eomccsdt_density1_5_3.F... Compiling eomccsdt_density1_5_4_1.F... Compiling eomccsdt_density1_5_4_2.F... Compiling eomccsdt_density1_5_4_3.F... Compiling eomccsdt_density1_5_4.F... Compiling eomccsdt_density1_5_5_1.F... Compiling eomccsdt_density1_5_5_2.F... Compiling eomccsdt_density1_5_5_3.F... Compiling eomccsdt_density1_5_5.F... Compiling eomccsdt_density1_5_6_1.F... Compiling eomccsdt_density1_5_6_2.F... Compiling eomccsdt_density1_5_6.F... Compiling eomccsdt_density1_5_7_1.F... Compiling eomccsdt_density1_5_7.F... Compiling eomccsdt_density1_5_8_1.F... Compiling eomccsdt_density1_5_8_2.F... Compiling eomccsdt_density1_5_8_3.F... Compiling eomccsdt_density1_5_8.F... Compiling eomccsdt_density1_5_9_1.F... Compiling eomccsdt_density1_5_9_2.F... Compiling eomccsdt_density1_5_9.F... Compiling eomccsdt_density1_5.F... Compiling eomccsdt_density1_6_1.F... Compiling eomccsdt_density1_6_2.F... Compiling eomccsdt_density1_6_3_1.F... Compiling eomccsdt_density1_6_3_2.F... Compiling eomccsdt_density1_6_3.F... Compiling eomccsdt_density1_6_4_1.F... Compiling eomccsdt_density1_6_4_2.F... Compiling eomccsdt_density1_6_4.F... Compiling eomccsdt_density1_6_5_1.F... Compiling eomccsdt_density1_6_5.F... Compiling eomccsdt_density1_6.F... Compiling eomccsdt_x2a_all12.F... Compiling eomccsdt_x2a_all15.F... Compiling eomccsdt_x2a_all18.F... Compiling eomccsdt_x2a_all3.F... Compiling eomccsdt_x2a_all6.F... Compiling eomccsdt_x2a_all9.F... Compiling eomccsdt_x2_all12.F... Compiling eomccsdt_x2_all15.F... Compiling eomccsdt_x2_all18.F... Compiling eomccsdt_x2_all3.F... Compiling eomccsdt_x2_all6.F... Compiling eomccsdt_x2_all9.F... Compiling eomccsdt_x3a_all12.F... Compiling eomccsdt_x3a_all15.F... Compiling eomccsdt_x3a_all17.F... Compiling eomccsdt_x3a_all3.F... Compiling eomccsdt_x3a_all6.F... Compiling eomccsdt_x3a_all9.F... Compiling eomccsdt_x3a.F... Compiling eomccsdt_x3_all12.F... Compiling eomccsdt_x3_all15.F... Compiling eomccsdt_x3_all17.F... Compiling eomccsdt_x3_all3.F... Compiling eomccsdt_x3_all6.F... Compiling eomccsdt_x3_all9.F... Compiling eomccsdt_x3.F... Compiling eomccsdt_y1_all12.F... Compiling eomccsdt_y1_all15.F... Compiling eomccsdt_y1_all18.F... Compiling eomccsdt_y1_all20.F... Compiling eomccsdt_y1_all3.F... Compiling eomccsdt_y1_all6.F... Compiling eomccsdt_y1_all9.F... Compiling eomccsdt_y1.F... Compiling eomccsdt_y2_all12.F... Compiling eomccsdt_y2_all15.F... Compiling eomccsdt_y2_all18.F... Compiling eomccsdt_y2_all21.F... Compiling eomccsdt_y2_all24.F... Compiling eomccsdt_y2_all25.F... Compiling eomccsdt_y2_all3.F... Compiling eomccsdt_y2_all6.F... Compiling eomccsdt_y2_all9.F... Compiling eomccsdt_y2.F... Compiling OFFSET_eomccsdt_1.F... Compiling OFFSET_eomccsdt_2.F... Compiling OFFSET_eomccsdt_3.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Making all in ccsd_alpha make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Compiling alpha_1_1_1.F... Compiling alpha_1_1_2.F... Compiling alpha_1_1_3_1.F... Compiling alpha_1_1_3_2.F... Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... Compiling alpha_1_1_5_1.F... Compiling alpha_1_1_5.F... Compiling alpha_1_1_6_1.F... Compiling alpha_1_1_6.F... Compiling alpha_1_1.F... Compiling alpha_1_2_1.F... Compiling alpha_1_2_2.F... Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... Compiling alpha_1_3.F... Compiling alpha_1_4_1.F... Compiling alpha_1_4.F... Compiling alpha_1.F... Compiling alpha_2_1_1.F... Compiling alpha_2_1.F... Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... Compiling alpha_2_2_1.F... Compiling alpha_2_2_2_1.F... Compiling alpha_2_2_2_2.F... Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... Compiling alpha_2_2_3.F... Compiling alpha_2_2_4_1.F... Compiling alpha_2_2_4.F... Compiling alpha_2_2.F... Compiling alpha_2_3_1_1.F... Compiling alpha_2_3_1_2.F... Compiling alpha_2_3_1_3_1.F... Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... Compiling alpha_2_3_1_4.F... Compiling alpha_2_3_1.F... Compiling alpha_2_3_2_1.F... Compiling alpha_2_3_2_2.F... Compiling alpha_2_3_2_3_1.F... Compiling alpha_2_3_2_3.F... Compiling alpha_2_3_2_4_1.F... Compiling alpha_2_3_2_4.F... Compiling alpha_2_3_2.F... Compiling alpha_2_3_3_1.F... Compiling alpha_2_3_3.F... Compiling alpha_2_3_4_1.F... Compiling alpha_2_3_4.F... Compiling alpha_2_3_5_1.F... Compiling alpha_2_3_5.F... Compiling alpha_2_3_6_1.F... Compiling alpha_2_3_6.F... Compiling alpha_2_3_7_1.F... Compiling alpha_2_3_7.F... Compiling alpha_2_3_8_1.F... Compiling alpha_2_3_8.F... Compiling alpha_2_3_9_1_1.F... Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... Compiling alpha_2_3_9_2.F... Compiling alpha_2_3_9.F... Compiling alpha_2_3.F... Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... Compiling alpha_2_4.F... Compiling alpha_2_5_10_1_1.F... Compiling alpha_2_5_10_1.F... Compiling alpha_2_5_10_2_1.F... Compiling alpha_2_5_10_2.F... Compiling alpha_2_5_10_3_1.F... Compiling alpha_2_5_10_3.F... Compiling alpha_2_5_10_4_1.F... Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... Compiling alpha_2_5_10_5.F... Compiling alpha_2_5_10_6_1.F... Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... Compiling alpha_2_5_10_7.F... Compiling alpha_2_5_10_8_1_1.F... Compiling alpha_2_5_10_8_1.F... Compiling alpha_2_5_10_8.F... Compiling alpha_2_5_10.F... Compiling alpha_2_5_11_1_1.F... Compiling alpha_2_5_11_1.F... Compiling alpha_2_5_1_1.F... Compiling alpha_2_5_11.F... Compiling alpha_2_5_12_1_1.F... Compiling alpha_2_5_12_1.F... Compiling alpha_2_5_1_2.F... Compiling alpha_2_5_12.F... Compiling alpha_2_5_13_1_1.F... Compiling alpha_2_5_1_3_1.F... Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... Compiling alpha_2_5_13_2.F... Compiling alpha_2_5_1_3.F... Compiling alpha_2_5_13.F... Compiling alpha_2_5_14_1_1.F... Compiling alpha_2_5_14_1.F... Compiling alpha_2_5_14_2_1.F... Compiling alpha_2_5_14_2.F... Compiling alpha_2_5_14.F... Compiling alpha_2_5_1.F... Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... Compiling alpha_2_5_3_2.F... Compiling alpha_2_5_3.F... Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2_1.F... Compiling alpha_2_5_4_2.F... Compiling alpha_2_5_4.F... Compiling alpha_2_5_5_1.F... Compiling alpha_2_5_5_2.F... Compiling alpha_2_5_5.F... Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... Compiling alpha_2_5_7_1.F... Compiling alpha_2_5_7.F... Compiling alpha_2_5_8_1.F... Compiling alpha_2_5_8.F... Compiling alpha_2_5_9_1.F... Compiling alpha_2_5_9.F... Compiling alpha_2_5.F... Compiling alpha_2_6_1_1.F... Compiling alpha_2_6_1.F... Compiling alpha_2_6.F... Compiling alpha_2_7_1_1.F... Compiling alpha_2_7_1_2_1.F... Compiling alpha_2_7_1_2.F... Compiling alpha_2_7_1.F... Compiling alpha_2_7_2_1.F... Compiling alpha_2_7_2.F... Compiling alpha_2_7_3_1.F... Compiling alpha_2_7_3.F... Compiling alpha_2_7_4_1.F... Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... Compiling alpha_2_7_4.F... Compiling alpha_2_7_5_1.F... Compiling alpha_2_7_5.F... Compiling alpha_2_7_6_1.F... Compiling alpha_2_7_6.F... Compiling alpha_2_7_7_1_1.F... Compiling alpha_2_7_7_1.F... Compiling alpha_2_7_7.F... Compiling alpha_2_7.F... Compiling alpha_2_8_1_1.F... Compiling alpha_2_8_1.F... Compiling alpha_2_8_2_1.F... Compiling alpha_2_8_2.F... Compiling alpha_2_8_3_1.F... Compiling alpha_2_8_3.F... Compiling alpha_2_8_4_1_1.F... Compiling alpha_2_8_4_1_2_1.F... Compiling alpha_2_8_4_1_2.F... Compiling alpha_2_8_4_1.F... Compiling alpha_2_8_4_2_1.F... Compiling alpha_2_8_4_2.F... Compiling alpha_2_8_4_3_1.F... Compiling alpha_2_8_4_3_2_1.F... Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... Compiling alpha_2_8_4_4_1.F... Compiling alpha_2_8_4_4.F... Compiling alpha_2_8_4_5_1_1.F... Compiling alpha_2_8_4_5_1.F... Compiling alpha_2_8_4_5.F... Compiling alpha_2_8_4.F... Compiling alpha_2_8_5_1_1.F... Compiling alpha_2_8_5_1.F... Compiling alpha_2_8_5_2_1.F... Compiling alpha_2_8_5_2.F... Compiling alpha_2_8_5.F... Compiling alpha_2_8_6_1_1.F... Compiling alpha_2_8_6_1.F... Compiling alpha_2_8_6_2_1.F... Compiling alpha_2_8_6_2.F... Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... Compiling alpha_2_8_6_4_1.F... Compiling alpha_2_8_6_4.F... Compiling alpha_2_8_6.F... Compiling alpha_2_8_7_1_1.F... Compiling alpha_2_8_7_1.F... Compiling alpha_2_8_7.F... Compiling alpha_2_8_8_1_1.F... Compiling alpha_2_8_8_1.F... Compiling alpha_2_8_8.F... Compiling alpha_2_8.F... Compiling alpha_2.F... Compiling dip_r_1_1.F... Compiling dip_r_1_2.F... Compiling dip_r_1.F... Compiling dip_r_2.F... Compiling dip_r.F... Compiling offset_alpha_1_1_1.F... Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... Compiling offset_alpha_1_1_5_1.F... Compiling offset_alpha_1_1_6_1.F... Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... Compiling offset_alpha_2_1_1.F... Compiling offset_alpha_2_2_1_1.F... Compiling offset_alpha_2_2_1.F... Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... Compiling offset_alpha_2_2_4_1.F... Compiling offset_alpha_2_3_1_1.F... Compiling offset_alpha_2_3_1_3_1.F... Compiling offset_alpha_2_3_1_4_1.F... Compiling offset_alpha_2_3_1.F... Compiling offset_alpha_2_3_2_1.F... Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... Compiling offset_alpha_2_3_3_1.F... Compiling offset_alpha_2_3_4_1.F... Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... Compiling offset_alpha_2_3_7_1.F... Compiling offset_alpha_2_3_8_1.F... Compiling offset_alpha_2_3_9_1_1.F... Compiling offset_alpha_2_3_9_1.F... Compiling offset_alpha_2_3_9_2_1.F... Compiling offset_alpha_2_4_1_1.F... Compiling offset_alpha_2_4_1.F... Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... Compiling offset_alpha_2_5_10_2_1.F... Compiling offset_alpha_2_5_10_3_1.F... Compiling offset_alpha_2_5_10_4_1.F... Compiling offset_alpha_2_5_10_5_1.F... Compiling offset_alpha_2_5_10_6_1.F... Compiling offset_alpha_2_5_10_7_1.F... Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... Compiling offset_alpha_2_5_11_1_1.F... Compiling offset_alpha_2_5_11_1.F... Compiling offset_alpha_2_5_1_1.F... Compiling offset_alpha_2_5_12_1_1.F... Compiling offset_alpha_2_5_12_1.F... Compiling offset_alpha_2_5_13_1_1.F... Compiling offset_alpha_2_5_1_3_1.F... Compiling offset_alpha_2_5_13_1.F... Compiling offset_alpha_2_5_13_2_1.F... Compiling offset_alpha_2_5_14_1_1.F... Compiling offset_alpha_2_5_14_1.F... Compiling offset_alpha_2_5_14_2_1.F... Compiling offset_alpha_2_5_1.F... Compiling offset_alpha_2_5_2_1.F... Compiling offset_alpha_2_5_3_1.F... Compiling offset_alpha_2_5_4_1.F... Compiling offset_alpha_2_5_4_2_1.F... Compiling offset_alpha_2_5_5_1.F... Compiling offset_alpha_2_5_6_1.F... Compiling offset_alpha_2_5_7_1.F... Compiling offset_alpha_2_5_8_1.F... Compiling offset_alpha_2_5_9_1.F... Compiling offset_alpha_2_6_1_1.F... Compiling offset_alpha_2_6_1.F... Compiling offset_alpha_2_7_1_1.F... Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... Compiling offset_alpha_2_7_2_1.F... Compiling offset_alpha_2_7_3_1.F... Compiling offset_alpha_2_7_4_1.F... Compiling offset_alpha_2_7_4_2_1.F... Compiling offset_alpha_2_7_5_1.F... Compiling offset_alpha_2_7_6_1.F... Compiling offset_alpha_2_7_7_1_1.F... Compiling offset_alpha_2_7_7_1.F... Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... Compiling offset_alpha_2_8_2_1.F... Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... Compiling offset_alpha_2_8_4_1_2_1.F... Compiling offset_alpha_2_8_4_1.F... Compiling offset_alpha_2_8_4_2_1.F... Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... Compiling offset_alpha_2_8_4_4_1.F... Compiling offset_alpha_2_8_4_5_1_1.F... Compiling offset_alpha_2_8_4_5_1.F... Compiling offset_alpha_2_8_5_1_1.F... Compiling offset_alpha_2_8_5_1.F... Compiling offset_alpha_2_8_5_2_1.F... Compiling offset_alpha_2_8_6_1_1.F... Compiling offset_alpha_2_8_6_1.F... Compiling offset_alpha_2_8_6_2_1.F... Compiling offset_alpha_2_8_6_3_1.F... Compiling offset_alpha_2_8_6_4_1.F... Compiling offset_alpha_2_8_7_1_1.F... Compiling offset_alpha_2_8_7_1.F... Compiling offset_alpha_2_8_8_1_1.F... Compiling offset_alpha_2_8_8_1.F... Compiling offset_dip_r_1_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Making all in ccsd_beta make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Compiling beta_1_all.F... Compiling beta_2_all.F... Compiling beta_3_all.F... Compiling beta_4_all.F... Compiling beta_all_offsets.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Making all in ccsd_yr make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... Compiling ccsd_yr1.F... Compiling ccsd_yr2.F... Compiling ccsd_y_tr1.F... Compiling ccsd_y_tr2.F... Compiling alpha_2_yr.F... Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... Compiling ccsd_lr_d1_hp.F... Compiling ccsd_lr_d1_pp.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Making all in response make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' Compiling ccsd_o1.F... Compiling ccsd_o2.F... Compiling eomccsd_o1.F... Compiling eomccsd_o2.F... Compiling ccsdt_o1.F... Compiling ccsdt_o2.F... Compiling ccsdt_o3.F... Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... Compiling ccsdtq_o3.F... Compiling ccsdtq_o4.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' Making all in ccsdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' Compiling ccsdtq_e.F... Compiling ccsdtq_t1.F... Compiling ccsdtq_t2.F... Compiling ccsdtq_t3.F... Compiling ccsdtq_t4.F... Compiling ccsdtq_t3_1.F... Compiling ccsdtq_t3_1_1.F... Compiling OFFSET_ccsdtq_t3_1_1.F... Compiling ccsdtq_t3_1_2.F... Compiling ccsdtq_t3_1_2_1.F... Compiling OFFSET_ccsdtq_t3_1_2_1.F... Compiling ccsdtq_t3_1_2_2.F... Compiling ccsdtq_t3_1_2_2_1.F... Compiling OFFSET_ccsdtq_t3_1_2_2_1.F... Compiling ccsdtq_t3_1_2_2_2.F... Compiling ccsdtq_t3_1_2_3.F... Compiling ccsdtq_t3_1_3.F... Compiling ccsdtq_t3_1_3_1.F... Compiling OFFSET_ccsdtq_t3_1_3_1.F... Compiling ccsdtq_t3_1_3_2.F... Compiling ccsdtq_t3_1_4.F... Compiling ccsdtq_t3_1_4_1.F... Compiling OFFSET_ccsdtq_t3_1_4_1.F... Compiling ccsdtq_t3_1_4_2.F... Compiling ccsdtq_t3_1_5.F... Compiling ccsdtq_t3_1_5_1.F... Compiling OFFSET_ccsdtq_t3_1_5_1.F... Compiling ccsdtq_t3_1_5_2.F... Compiling ccsdtq_t3_1_6.F... Compiling ccsdtq_t3_1_7.F... Compiling ccsdtq_t3_2.F... Compiling ccsdtq_t3_2_1.F... Compiling OFFSET_ccsdtq_t3_2_1.F... Compiling ccsdtq_t3_2_2.F... Compiling ccsdtq_t3_2_3.F... Compiling ccsdtq_t3_2_3_1.F... Compiling OFFSET_ccsdtq_t3_2_3_1.F... Compiling ccsdtq_t3_2_3_2.F... Compiling ccsdtq_t3_2_4.F... Compiling ccsdtq_t3_2_5.F... Compiling ccsdtq_t3_3.F... Compiling ccsdtq_t3_3_1.F... Compiling OFFSET_ccsdtq_t3_3_1.F... Compiling ccsdtq_t3_3_2.F... Compiling ccsdtq_t3_3_2_1.F... Compiling OFFSET_ccsdtq_t3_3_2_1.F... Compiling ccsdtq_t3_3_2_2.F... Compiling ccsdtq_t3_3_3.F... Compiling ccsdtq_t3_3_4.F... Compiling ccsdtq_t3_4.F... Compiling ccsdtq_t3_4_1.F... Compiling OFFSET_ccsdtq_t3_4_1.F... Compiling ccsdtq_t3_4_2.F... Compiling ccsdtq_t3_4_3.F... Compiling ccsdtq_t3_5.F... Compiling ccsdtq_t3_5_1.F... Compiling OFFSET_ccsdtq_t3_5_1.F... Compiling ccsdtq_t3_5_2.F... Compiling ccsdtq_t3_5_2_1.F... Compiling OFFSET_ccsdtq_t3_5_2_1.F... Compiling ccsdtq_t3_5_2_2.F... Compiling ccsdtq_t3_5_3.F... Compiling ccsdtq_t3_6.F... Compiling ccsdtq_t3_6_1.F... Compiling OFFSET_ccsdtq_t3_6_1.F... Compiling ccsdtq_t3_6_2.F... Compiling ccsdtq_t3_6_3.F... Compiling ccsdtq_t3_7.F... Compiling ccsdtq_t3_8.F... Compiling ccsdtq_t3_8_1.F... Compiling OFFSET_ccsdtq_t3_8_1.F... Compiling ccsdtq_t3_8_2.F... Compiling ccsdtq_t3_9.F... Compiling ccsdtq_t3_9_1.F... Compiling OFFSET_ccsdtq_t3_9_1.F... Compiling ccsdtq_t3_9_2.F... Compiling ccsdtq_t3_10.F... Compiling ccsdtq_t3_11.F... Compiling ccsdtq_t3_11_1.F... Compiling OFFSET_ccsdtq_t3_11_1.F... Compiling ccsdtq_t3_11_1_1.F... Compiling OFFSET_ccsdtq_t3_11_1_1.F... Compiling ccsdtq_t3_11_1_2.F... Compiling ccsdtq_t3_11_1_2_1.F... Compiling OFFSET_ccsdtq_t3_11_1_2_1.F... Compiling ccsdtq_t3_11_1_2_2.F... Compiling ccsdtq_t3_11_1_3.F... Compiling ccsdtq_t3_11_1_4.F... Compiling ccsdtq_t3_11_2.F... Compiling ccsdtq_t3_11_2_1.F... Compiling OFFSET_ccsdtq_t3_11_2_1.F... Compiling ccsdtq_t3_11_2_2.F... Compiling ccsdtq_t3_11_3.F... Compiling ccsdtq_t3_11_3_1.F... Compiling OFFSET_ccsdtq_t3_11_3_1.F... Compiling ccsdtq_t3_11_3_2.F... Compiling ccsdtq_t3_11_4.F... Compiling ccsdtq_t3_11_5.F... Compiling ccsdtq_t3_11_6.F... Compiling ccsdtq_t3_11_6_1.F... Compiling OFFSET_ccsdtq_t3_11_6_1.F... Compiling ccsdtq_t3_12.F... Compiling ccsdtq_t3_12_1.F... Compiling OFFSET_ccsdtq_t3_12_1.F... Compiling ccsdtq_t4_1.F... Compiling ccsdtq_t4_1_1.F... Compiling OFFSET_ccsdtq_t4_1_1.F... Compiling ccsdtq_t4_1_2.F... Compiling ccsdtq_t4_1_2_1.F... Compiling OFFSET_ccsdtq_t4_1_2_1.F... Compiling ccsdtq_t4_1_2_2.F... Compiling ccsdtq_t4_1_2_2_1.F... Compiling OFFSET_ccsdtq_t4_1_2_2_1.F... Compiling ccsdtq_t4_1_2_2_2.F... Compiling ccsdtq_t4_1_2_3.F... Compiling ccsdtq_t4_1_3.F... Compiling ccsdtq_t4_1_3_1.F... Compiling OFFSET_ccsdtq_t4_1_3_1.F... Compiling ccsdtq_t4_1_3_2.F... Compiling ccsdtq_t4_1_4.F... Compiling ccsdtq_t4_1_4_1.F... Compiling OFFSET_ccsdtq_t4_1_4_1.F... Compiling ccsdtq_t4_1_4_2.F... Compiling ccsdtq_t4_1_5.F... Compiling ccsdtq_t4_1_5_1.F... Compiling OFFSET_ccsdtq_t4_1_5_1.F... Compiling ccsdtq_t4_1_5_2.F... Compiling ccsdtq_t4_1_6.F... Compiling ccsdtq_t4_1_7.F... Compiling ccsdtq_t4_2.F... Compiling ccsdtq_t4_2_1.F... Compiling OFFSET_ccsdtq_t4_2_1.F... Compiling ccsdtq_t4_2_2.F... Compiling ccsdtq_t4_2_3.F... Compiling ccsdtq_t4_2_3_1.F... Compiling OFFSET_ccsdtq_t4_2_3_1.F... Compiling ccsdtq_t4_2_3_2.F... Compiling ccsdtq_t4_2_4.F... Compiling ccsdtq_t4_2_5.F... Compiling ccsdtq_t4_3.F... Compiling ccsdtq_t4_3_1.F... Compiling OFFSET_ccsdtq_t4_3_1.F... Compiling ccsdtq_t4_3_2.F... Compiling ccsdtq_t4_3_2_1.F... Compiling OFFSET_ccsdtq_t4_3_2_1.F... Compiling ccsdtq_t4_3_2_2.F... Compiling ccsdtq_t4_3_3.F... Compiling ccsdtq_t4_3_4.F... Compiling ccsdtq_t4_4.F... Compiling ccsdtq_t4_4_1.F... Compiling OFFSET_ccsdtq_t4_4_1.F... Compiling ccsdtq_t4_4_2.F... Compiling ccsdtq_t4_4_3.F... Compiling ccsdtq_t4_5.F... Compiling ccsdtq_t4_5_1.F... Compiling OFFSET_ccsdtq_t4_5_1.F... Compiling ccsdtq_t4_5_2.F... Compiling ccsdtq_t4_5_2_1.F... Compiling OFFSET_ccsdtq_t4_5_2_1.F... Compiling ccsdtq_t4_5_2_2.F... Compiling ccsdtq_t4_5_3.F... Compiling ccsdtq_t4_6.F... Compiling ccsdtq_t4_6_1.F... Compiling OFFSET_ccsdtq_t4_6_1.F... Compiling ccsdtq_t4_6_2.F... Compiling ccsdtq_t4_6_3.F... Compiling ccsdtq_t4_7.F... Compiling ccsdtq_t4_8.F... Compiling ccsdtq_t4_8_1.F... Compiling OFFSET_ccsdtq_t4_8_1.F... Compiling ccsdtq_t4_8_1_1.F... Compiling OFFSET_ccsdtq_t4_8_1_1.F... Compiling ccsdtq_t4_8_1_2.F... Compiling ccsdtq_t4_8_1_2_1.F... Compiling OFFSET_ccsdtq_t4_8_1_2_1.F... Compiling ccsdtq_t4_8_1_2_2.F... Compiling ccsdtq_t4_8_1_3.F... Compiling ccsdtq_t4_8_1_4.F... Compiling ccsdtq_t4_8_2.F... Compiling ccsdtq_t4_8_2_1.F... Compiling OFFSET_ccsdtq_t4_8_2_1.F... Compiling ccsdtq_t4_8_2_2.F... Compiling ccsdtq_t4_8_3.F... Compiling ccsdtq_t4_8_3_1.F... Compiling OFFSET_ccsdtq_t4_8_3_1.F... Compiling ccsdtq_t4_8_3_2.F... Compiling ccsdtq_t4_8_4.F... Compiling ccsdtq_t4_8_5.F... Compiling ccsdtq_t4_8_5_1.F... Compiling OFFSET_ccsdtq_t4_8_5_1.F... Compiling ccsdtq_t4_8_6.F... Compiling ccsdtq_t4_8_6_1.F... Compiling OFFSET_ccsdtq_t4_8_6_1.F... Compiling ccsdtq_t4_8_6_1_1.F... Compiling OFFSET_ccsdtq_t4_8_6_1_1.F... Compiling ccsdtq_t4_8_6_1_2.F... Compiling ccsdtq_t4_8_6_2.F... Compiling ccsdtq_t4_9.F... Compiling ccsdtq_t4_9_1.F... Compiling OFFSET_ccsdtq_t4_9_1.F... Compiling ccsdtq_t4_9_1_1.F... Compiling OFFSET_ccsdtq_t4_9_1_1.F... Compiling ccsdtq_t4_9_1_2.F... Compiling ccsdtq_t4_9_1_2_1.F... Compiling OFFSET_ccsdtq_t4_9_1_2_1.F... Compiling ccsdtq_t4_9_1_2_2.F... Compiling ccsdtq_t4_9_1_3.F... Compiling ccsdtq_t4_9_2.F... Compiling ccsdtq_t4_9_2_1.F... Compiling OFFSET_ccsdtq_t4_9_2_1.F... Compiling ccsdtq_t4_9_2_2.F... Compiling ccsdtq_t4_9_2_2_1.F... Compiling OFFSET_ccsdtq_t4_9_2_2_1.F... Compiling ccsdtq_t4_9_2_2_2.F... Compiling ccsdtq_t4_9_2_3.F... Compiling ccsdtq_t4_9_2_4.F... Compiling ccsdtq_t4_9_3.F... Compiling ccsdtq_t4_9_3_1.F... Compiling OFFSET_ccsdtq_t4_9_3_1.F... Compiling ccsdtq_t4_9_3_2.F... Compiling ccsdtq_t4_9_4.F... Compiling ccsdtq_t4_9_4_1.F... Compiling OFFSET_ccsdtq_t4_9_4_1.F... Compiling ccsdtq_t4_9_4_2.F... Compiling ccsdtq_t4_9_5.F... Compiling ccsdtq_t4_9_5_1.F... Compiling OFFSET_ccsdtq_t4_9_5_1.F... Compiling ccsdtq_t4_9_5_2.F... Compiling ccsdtq_t4_9_6.F... Compiling ccsdtq_t4_10.F... Compiling ccsdtq_t4_10_1.F... Compiling OFFSET_ccsdtq_t4_10_1.F... Compiling ccsdtq_t4_10_1_1.F... Compiling OFFSET_ccsdtq_t4_10_1_1.F... Compiling ccsdtq_t4_10_1_2.F... Compiling ccsdtq_t4_10_2.F... Compiling ccsdtq_t4_10_2_1.F... Compiling OFFSET_ccsdtq_t4_10_2_1.F... Compiling ccsdtq_t4_10_2_2.F... Compiling ccsdtq_t4_10_3.F... Compiling ccsdtq_t4_10_4.F... Compiling ccsdtq_t4_11.F... Compiling ccsdtq_t4_11_1.F... Compiling OFFSET_ccsdtq_t4_11_1.F... Compiling ccsdtq_t4_12.F... Compiling ccsdtq_t4_12_1.F... Compiling OFFSET_ccsdtq_t4_12_1.F... Compiling ccsdtq_t4_13.F... Compiling ccsdtq_t4_13_1.F... Compiling OFFSET_ccsdtq_t4_13_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdtq_e.o ccsdtq_t1.o ccsdtq_t2.o ccsdtq_t3.o ccsdtq_t4.o ccsdtq_t3_1.o ccsdtq_t3_1_1.o OFFSET_ccsdtq_t3_1_1.o ccsdtq_t3_1_2.o ccsdtq_t3_1_2_1.o OFFSET_ccsdtq_t3_1_2_1.o ccsdtq_t3_1_2_2.o ccsdtq_t3_1_2_2_1.o OFFSET_ccsdtq_t3_1_2_2_1.o ccsdtq_t3_1_2_2_2.o ccsdtq_t3_1_2_3.o ccsdtq_t3_1_3.o ccsdtq_t3_1_3_1.o OFFSET_ccsdtq_t3_1_3_1.o ccsdtq_t3_1_3_2.o ccsdtq_t3_1_4.o ccsdtq_t3_1_4_1.o OFFSET_ccsdtq_t3_1_4_1.o ccsdtq_t3_1_4_2.o ccsdtq_t3_1_5.o ccsdtq_t3_1_5_1.o OFFSET_ccsdtq_t3_1_5_1.o ccsdtq_t3_1_5_2.o ccsdtq_t3_1_6.o ccsdtq_t3_1_7.o ccsdtq_t3_2.o ccsdtq_t3_2_1.o OFFSET_ccsdtq_t3_2_1.o ccsdtq_t3_2_2.o ccsdtq_t3_2_3.o ccsdtq_t3_2_3_1.o OFFSET_ccsdtq_t3_2_3_1.o ccsdtq_t3_2_3_2.o ccsdtq_t3_2_4.o ccsdtq_t3_2_5.o ccsdtq_t3_3.o ccsdtq_t3_3_1.o OFFSET_ccsdtq_t3_3_1.o ccsdtq_t3_3_2.o ccsdtq_t3_3_2_1.o OFFSET_ccsdtq_t3_3_2_1.o ccsdtq_t3_3_2_2.o ccsdtq_t3_3_3.o ccsdtq_t3_3_4.o ccsdtq_t3_4.o ccsdtq_t3_4_1.o OFFSET_ccsdtq_t3_4_1.o ccsdtq_t3_4_2.o ccsdtq_t3_4_3.o ccsdtq_t3_5.o ccsdtq_t3_5_1.o OFFSET_ccsdtq_t3_5_1.o ccsdtq_t3_5_2.o ccsdtq_t3_5_2_1.o OFFSET_ccsdtq_t3_5_2_1.o ccsdtq_t3_5_2_2.o ccsdtq_t3_5_3.o ccsdtq_t3_6.o ccsdtq_t3_6_1.o OFFSET_ccsdtq_t3_6_1.o ccsdtq_t3_6_2.o ccsdtq_t3_6_3.o ccsdtq_t3_7.o ccsdtq_t3_8.o ccsdtq_t3_8_1.o OFFSET_ccsdtq_t3_8_1.o ccsdtq_t3_8_2.o ccsdtq_t3_9.o ccsdtq_t3_9_1.o OFFSET_ccsdtq_t3_9_1.o ccsdtq_t3_9_2.o ccsdtq_t3_10.o ccsdtq_t3_11.o ccsdtq_t3_11_1.o OFFSET_ccsdtq_t3_11_1.o ccsdtq_t3_11_1_1.o OFFSET_ccsdtq_t3_11_1_1.o ccsdtq_t3_11_1_2.o ccsdtq_t3_11_1_2_1.o OFFSET_ccsdtq_t3_11_1_2_1.o ccsdtq_t3_11_1_2_2.o ccsdtq_t3_11_1_3.o ccsdtq_t3_11_1_4.o ccsdtq_t3_11_2.o ccsdtq_t3_11_2_1.o OFFSET_ccsdtq_t3_11_2_1.o ccsdtq_t3_11_2_2.o ccsdtq_t3_11_3.o ccsdtq_t3_11_3_1.o OFFSET_ccsdtq_t3_11_3_1.o ccsdtq_t3_11_3_2.o ccsdtq_t3_11_4.o ccsdtq_t3_11_5.o ccsdtq_t3_11_6.o ccsdtq_t3_11_6_1.o OFFSET_ccsdtq_t3_11_6_1.o ccsdtq_t3_12.o ccsdtq_t3_12_1.o OFFSET_ccsdtq_t3_12_1.o ccsdtq_t4_1.o ccsdtq_t4_1_1.o OFFSET_ccsdtq_t4_1_1.o ccsdtq_t4_1_2.o ccsdtq_t4_1_2_1.o OFFSET_ccsdtq_t4_1_2_1.o ccsdtq_t4_1_2_2.o ccsdtq_t4_1_2_2_1.o OFFSET_ccsdtq_t4_1_2_2_1.o ccsdtq_t4_1_2_2_2.o ccsdtq_t4_1_2_3.o ccsdtq_t4_1_3.o ccsdtq_t4_1_3_1.o OFFSET_ccsdtq_t4_1_3_1.o ccsdtq_t4_1_3_2.o ccsdtq_t4_1_4.o ccsdtq_t4_1_4_1.o OFFSET_ccsdtq_t4_1_4_1.o ccsdtq_t4_1_4_2.o ccsdtq_t4_1_5.o ccsdtq_t4_1_5_1.o OFFSET_ccsdtq_t4_1_5_1.o ccsdtq_t4_1_5_2.o ccsdtq_t4_1_6.o ccsdtq_t4_1_7.o ccsdtq_t4_2.o ccsdtq_t4_2_1.o OFFSET_ccsdtq_t4_2_1.o ccsdtq_t4_2_2.o ccsdtq_t4_2_3.o ccsdtq_t4_2_3_1.o OFFSET_ccsdtq_t4_2_3_1.o ccsdtq_t4_2_3_2.o ccsdtq_t4_2_4.o ccsdtq_t4_2_5.o ccsdtq_t4_3.o ccsdtq_t4_3_1.o OFFSET_ccsdtq_t4_3_1.o ccsdtq_t4_3_2.o ccsdtq_t4_3_2_1.o OFFSET_ccsdtq_t4_3_2_1.o ccsdtq_t4_3_2_2.o ccsdtq_t4_3_3.o ccsdtq_t4_3_4.o ccsdtq_t4_4.o ccsdtq_t4_4_1.o OFFSET_ccsdtq_t4_4_1.o ccsdtq_t4_4_2.o ccsdtq_t4_4_3.o ccsdtq_t4_5.o ccsdtq_t4_5_1.o OFFSET_ccsdtq_t4_5_1.o ccsdtq_t4_5_2.o ccsdtq_t4_5_2_1.o OFFSET_ccsdtq_t4_5_2_1.o ccsdtq_t4_5_2_2.o ccsdtq_t4_5_3.o ccsdtq_t4_6.o ccsdtq_t4_6_1.o OFFSET_ccsdtq_t4_6_1.o ccsdtq_t4_6_2.o ccsdtq_t4_6_3.o ccsdtq_t4_7.o ccsdtq_t4_8.o ccsdtq_t4_8_1.o OFFSET_ccsdtq_t4_8_1.o ccsdtq_t4_8_1_1.o OFFSET_ccsdtq_t4_8_1_1.o ccsdtq_t4_8_1_2.o ccsdtq_t4_8_1_2_1.o OFFSET_ccsdtq_t4_8_1_2_1.o ccsdtq_t4_8_1_2_2.o ccsdtq_t4_8_1_3.o ccsdtq_t4_8_1_4.o ccsdtq_t4_8_2.o ccsdtq_t4_8_2_1.o OFFSET_ccsdtq_t4_8_2_1.o ccsdtq_t4_8_2_2.o ccsdtq_t4_8_3.o ccsdtq_t4_8_3_1.o OFFSET_ccsdtq_t4_8_3_1.o ccsdtq_t4_8_3_2.o ccsdtq_t4_8_4.o ccsdtq_t4_8_5.o ccsdtq_t4_8_5_1.o OFFSET_ccsdtq_t4_8_5_1.o ccsdtq_t4_8_6.o ccsdtq_t4_8_6_1.o OFFSET_ccsdtq_t4_8_6_1.o ccsdtq_t4_8_6_1_1.o OFFSET_ccsdtq_t4_8_6_1_1.o ccsdtq_t4_8_6_1_2.o ccsdtq_t4_8_6_2.o ccsdtq_t4_9.o ccsdtq_t4_9_1.o OFFSET_ccsdtq_t4_9_1.o ccsdtq_t4_9_1_1.o OFFSET_ccsdtq_t4_9_1_1.o ccsdtq_t4_9_1_2.o ccsdtq_t4_9_1_2_1.o OFFSET_ccsdtq_t4_9_1_2_1.o ccsdtq_t4_9_1_2_2.o ccsdtq_t4_9_1_3.o ccsdtq_t4_9_2.o ccsdtq_t4_9_2_1.o OFFSET_ccsdtq_t4_9_2_1.o ccsdtq_t4_9_2_2.o ccsdtq_t4_9_2_2_1.o OFFSET_ccsdtq_t4_9_2_2_1.o ccsdtq_t4_9_2_2_2.o ccsdtq_t4_9_2_3.o ccsdtq_t4_9_2_4.o ccsdtq_t4_9_3.o ccsdtq_t4_9_3_1.o OFFSET_ccsdtq_t4_9_3_1.o ccsdtq_t4_9_3_2.o ccsdtq_t4_9_4.o ccsdtq_t4_9_4_1.o OFFSET_ccsdtq_t4_9_4_1.o ccsdtq_t4_9_4_2.o ccsdtq_t4_9_5.o ccsdtq_t4_9_5_1.o OFFSET_ccsdtq_t4_9_5_1.o ccsdtq_t4_9_5_2.o ccsdtq_t4_9_6.o ccsdtq_t4_10.o ccsdtq_t4_10_1.o OFFSET_ccsdtq_t4_10_1.o ccsdtq_t4_10_1_1.o OFFSET_ccsdtq_t4_10_1_1.o ccsdtq_t4_10_1_2.o ccsdtq_t4_10_2.o ccsdtq_t4_10_2_1.o OFFSET_ccsdtq_t4_10_2_1.o ccsdtq_t4_10_2_2.o ccsdtq_t4_10_3.o ccsdtq_t4_10_4.o ccsdtq_t4_11.o ccsdtq_t4_11_1.o OFFSET_ccsdtq_t4_11_1.o ccsdtq_t4_12.o ccsdtq_t4_12_1.o OFFSET_ccsdtq_t4_12_1.o ccsdtq_t4_13.o ccsdtq_t4_13_1.o OFFSET_ccsdtq_t4_13_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' Making all in ccsdtq_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' Compiling ccsdtq_lambda1.F... Compiling ccsdtq_lambda2.F... Compiling ccsdtq_lambda3.F... Compiling ccsdtq_lambda4.F... Compiling ccsdtq_density1.F... Compiling ccsdtq_lambda1_1.F... Compiling ccsdtq_lambda1_2.F... Compiling ccsdtq_lambda1_2_1.F... Compiling OFFSET_ccsdtq_lambda1_2_1.F... Compiling ccsdtq_lambda1_2_2.F... Compiling ccsdtq_lambda1_2_2_1.F... Compiling OFFSET_ccsdtq_lambda1_2_2_1.F... Compiling ccsdtq_lambda1_2_2_2.F... Compiling ccsdtq_lambda1_2_3.F... Compiling ccsdtq_lambda1_2_4.F... Compiling ccsdtq_lambda1_3.F... Compiling ccsdtq_lambda1_3_1.F... Compiling OFFSET_ccsdtq_lambda1_3_1.F... Compiling ccsdtq_lambda1_3_2.F... Compiling ccsdtq_lambda1_3_3.F... Compiling ccsdtq_lambda1_3_3_1.F... Compiling OFFSET_ccsdtq_lambda1_3_3_1.F... Compiling ccsdtq_lambda1_4.F... Compiling ccsdtq_lambda1_5.F... Compiling ccsdtq_lambda1_5_1.F... Compiling OFFSET_ccsdtq_lambda1_5_1.F... Compiling ccsdtq_lambda1_5_2.F... Compiling ccsdtq_lambda1_5_2_1.F... Compiling OFFSET_ccsdtq_lambda1_5_2_1.F... Compiling ccsdtq_lambda1_5_2_2.F... Compiling ccsdtq_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdtq_lambda1_5_2_2_1.F... Compiling ccsdtq_lambda1_5_2_2_2.F... Compiling ccsdtq_lambda1_5_2_3.F... Compiling ccsdtq_lambda1_5_2_4.F... Compiling ccsdtq_lambda1_5_3.F... Compiling ccsdtq_lambda1_5_3_1.F... Compiling OFFSET_ccsdtq_lambda1_5_3_1.F... Compiling ccsdtq_lambda1_5_3_2.F... Compiling ccsdtq_lambda1_5_4.F... Compiling ccsdtq_lambda1_5_5.F... Compiling ccsdtq_lambda1_5_5_1.F... Compiling OFFSET_ccsdtq_lambda1_5_5_1.F... Compiling ccsdtq_lambda1_5_5_2.F... Compiling ccsdtq_lambda1_5_6.F... Compiling ccsdtq_lambda1_5_6_1.F... Compiling OFFSET_ccsdtq_lambda1_5_6_1.F... Compiling ccsdtq_lambda1_5_6_2.F... Compiling ccsdtq_lambda1_5_7.F... Compiling ccsdtq_lambda1_5_8.F... Compiling ccsdtq_lambda1_6.F... Compiling ccsdtq_lambda1_6_1.F... Compiling OFFSET_ccsdtq_lambda1_6_1.F... Compiling ccsdtq_lambda1_6_2.F... Compiling ccsdtq_lambda1_6_2_1.F... Compiling OFFSET_ccsdtq_lambda1_6_2_1.F... Compiling ccsdtq_lambda1_6_2_2.F... Compiling ccsdtq_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdtq_lambda1_6_2_2_1.F... Compiling ccsdtq_lambda1_6_2_2_2.F... Compiling ccsdtq_lambda1_6_2_3.F... Compiling ccsdtq_lambda1_6_3.F... Compiling ccsdtq_lambda1_6_3_1.F... Compiling OFFSET_ccsdtq_lambda1_6_3_1.F... Compiling ccsdtq_lambda1_6_3_2.F... Compiling ccsdtq_lambda1_6_4.F... Compiling ccsdtq_lambda1_6_4_1.F... Compiling OFFSET_ccsdtq_lambda1_6_4_1.F... Compiling ccsdtq_lambda1_6_4_2.F... Compiling ccsdtq_lambda1_6_5.F... Compiling ccsdtq_lambda1_6_5_1.F... Compiling OFFSET_ccsdtq_lambda1_6_5_1.F... Compiling ccsdtq_lambda1_6_5_2.F... Compiling ccsdtq_lambda1_6_6.F... Compiling ccsdtq_lambda1_6_7.F... Compiling ccsdtq_lambda1_7.F... Compiling ccsdtq_lambda1_7_1.F... Compiling OFFSET_ccsdtq_lambda1_7_1.F... Compiling ccsdtq_lambda1_7_2.F... Compiling ccsdtq_lambda1_8.F... Compiling ccsdtq_lambda1_8_1.F... Compiling OFFSET_ccsdtq_lambda1_8_1.F... Compiling ccsdtq_lambda1_8_2.F... Compiling ccsdtq_lambda1_8_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_2_1.F... Compiling ccsdtq_lambda1_8_2_2.F... Compiling ccsdtq_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_2_2_1.F... Compiling ccsdtq_lambda1_8_2_2_2.F... Compiling ccsdtq_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_2_2_2_1.F... Compiling ccsdtq_lambda1_8_2_2_2_2.F... Compiling ccsdtq_lambda1_8_2_2_3.F... Compiling ccsdtq_lambda1_8_2_3.F... Compiling ccsdtq_lambda1_8_2_3_1.F... Compiling OFFSET_ccsdtq_lambda1_8_2_3_1.F... Compiling ccsdtq_lambda1_8_2_3_2.F... Compiling ccsdtq_lambda1_8_2_4.F... Compiling ccsdtq_lambda1_8_2_5.F... Compiling ccsdtq_lambda1_8_2_5_1.F... Compiling OFFSET_ccsdtq_lambda1_8_2_5_1.F... Compiling ccsdtq_lambda1_8_3.F... Compiling ccsdtq_lambda1_8_3_1.F... Compiling OFFSET_ccsdtq_lambda1_8_3_1.F... Compiling ccsdtq_lambda1_8_3_2.F... Compiling ccsdtq_lambda1_8_4.F... Compiling ccsdtq_lambda1_8_4_1.F... Compiling OFFSET_ccsdtq_lambda1_8_4_1.F... Compiling ccsdtq_lambda1_8_4_2.F... Compiling ccsdtq_lambda1_8_4_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_4_2_1.F... Compiling ccsdtq_lambda1_8_5.F... Compiling ccsdtq_lambda1_8_5_1.F... Compiling OFFSET_ccsdtq_lambda1_8_5_1.F... Compiling ccsdtq_lambda1_8_5_2.F... Compiling ccsdtq_lambda1_8_5_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_5_2_1.F... Compiling ccsdtq_lambda1_8_6.F... Compiling ccsdtq_lambda1_8_6_1.F... Compiling OFFSET_ccsdtq_lambda1_8_6_1.F... Compiling ccsdtq_lambda1_8_6_2.F... Compiling ccsdtq_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdtq_lambda1_8_6_2_1.F... Compiling ccsdtq_lambda1_8_6_2_2.F... Compiling ccsdtq_lambda1_8_6_3.F... Compiling ccsdtq_lambda1_8_7.F... Compiling ccsdtq_lambda1_8_7_1.F... Compiling OFFSET_ccsdtq_lambda1_8_7_1.F... Compiling ccsdtq_lambda1_8_7_2.F... Compiling ccsdtq_lambda1_8_7_3.F... Compiling ccsdtq_lambda1_8_8.F... Compiling ccsdtq_lambda1_8_9.F... Compiling ccsdtq_lambda1_8_9_1.F... Compiling OFFSET_ccsdtq_lambda1_8_9_1.F... Compiling ccsdtq_lambda1_8_9_2.F... Compiling ccsdtq_lambda1_8_10.F... Compiling ccsdtq_lambda1_8_10_1.F... Compiling OFFSET_ccsdtq_lambda1_8_10_1.F... Compiling ccsdtq_lambda1_8_10_2.F... Compiling ccsdtq_lambda1_8_11.F... Compiling ccsdtq_lambda1_8_12.F... Compiling ccsdtq_lambda1_8_13.F... Compiling ccsdtq_lambda1_8_13_1.F... Compiling OFFSET_ccsdtq_lambda1_8_13_1.F... Compiling ccsdtq_lambda1_8_13_2.F... Compiling ccsdtq_lambda1_8_13_3.F... Compiling ccsdtq_lambda1_8_14.F... Compiling ccsdtq_lambda1_8_14_1.F... Compiling OFFSET_ccsdtq_lambda1_8_14_1.F... Compiling ccsdtq_lambda1_8_14_2.F... Compiling ccsdtq_lambda1_8_14_3.F... Compiling ccsdtq_lambda1_8_15.F... Compiling ccsdtq_lambda1_8_15_1.F... Compiling OFFSET_ccsdtq_lambda1_8_15_1.F... Compiling ccsdtq_lambda1_8_15_2.F... Compiling ccsdtq_lambda1_9.F... Compiling ccsdtq_lambda1_9_1.F... Compiling OFFSET_ccsdtq_lambda1_9_1.F... Compiling ccsdtq_lambda1_9_2.F... Compiling ccsdtq_lambda1_9_3.F... Compiling ccsdtq_lambda1_9_4.F... Compiling ccsdtq_lambda1_9_5.F... Compiling ccsdtq_lambda1_9_5_1.F... Compiling OFFSET_ccsdtq_lambda1_9_5_1.F... Compiling ccsdtq_lambda1_9_5_2.F... Compiling ccsdtq_lambda1_9_5_3.F... Compiling ccsdtq_lambda1_9_5_4.F... Compiling ccsdtq_lambda1_9_6.F... Compiling ccsdtq_lambda1_9_6_1.F... Compiling OFFSET_ccsdtq_lambda1_9_6_1.F... Compiling ccsdtq_lambda1_9_6_2.F... Compiling ccsdtq_lambda1_9_6_2_1.F... Compiling OFFSET_ccsdtq_lambda1_9_6_2_1.F... Compiling ccsdtq_lambda1_9_6_2_2.F... Compiling ccsdtq_lambda1_9_6_3.F... Compiling ccsdtq_lambda1_9_7.F... Compiling ccsdtq_lambda1_9_7_1.F... Compiling OFFSET_ccsdtq_lambda1_9_7_1.F... Compiling ccsdtq_lambda1_9_7_2.F... Compiling ccsdtq_lambda1_9_8.F... Compiling ccsdtq_lambda1_9_8_1.F... Compiling OFFSET_ccsdtq_lambda1_9_8_1.F... Compiling ccsdtq_lambda1_10.F... Compiling ccsdtq_lambda1_10_1.F... Compiling OFFSET_ccsdtq_lambda1_10_1.F... Compiling ccsdtq_lambda1_10_2.F... 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Compiling ccsdtq_lambda3_22_1.F... Compiling OFFSET_ccsdtq_lambda3_22_1.F... Compiling ccsdtq_lambda3_23.F... Compiling ccsdtq_lambda3_23_1.F... Compiling OFFSET_ccsdtq_lambda3_23_1.F... Compiling ccsdtq_lambda3_24.F... Compiling ccsdtq_lambda3_24_1.F... Compiling OFFSET_ccsdtq_lambda3_24_1.F... Compiling ccsdtq_lambda3_24_1_1.F... Compiling OFFSET_ccsdtq_lambda3_24_1_1.F... Compiling ccsdtq_lambda3_25.F... Compiling ccsdtq_lambda3_25_1.F... Compiling OFFSET_ccsdtq_lambda3_25_1.F... Compiling ccsdtq_lambda3_25_1_1.F... Compiling OFFSET_ccsdtq_lambda3_25_1_1.F... Compiling ccsdtq_lambda3_26.F... Compiling ccsdtq_lambda3_26_1.F... Compiling OFFSET_ccsdtq_lambda3_26_1.F... Compiling ccsdtq_lambda3_26_1_1.F... Compiling OFFSET_ccsdtq_lambda3_26_1_1.F... Compiling ccsdtq_lambda3_26_2.F... Compiling ccsdtq_lambda3_26_2_1.F... Compiling OFFSET_ccsdtq_lambda3_26_2_1.F... Compiling ccsdtq_lambda3_27.F... Compiling ccsdtq_lambda3_27_1.F... Compiling OFFSET_ccsdtq_lambda3_27_1.F... Compiling ccsdtq_lambda3_27_1_1.F... Compiling OFFSET_ccsdtq_lambda3_27_1_1.F... Compiling ccsdtq_lambda3_27_2.F... Compiling ccsdtq_lambda3_27_2_1.F... Compiling OFFSET_ccsdtq_lambda3_27_2_1.F... Compiling ccsdtq_lambda3_27_2_1_1.F... Compiling OFFSET_ccsdtq_lambda3_27_2_1_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdtq_lambda1.o ccsdtq_lambda2.o ccsdtq_lambda3.o ccsdtq_lambda4.o ccsdtq_density1.o ccsdtq_lambda1_1.o ccsdtq_lambda1_2.o ccsdtq_lambda1_2_1.o OFFSET_ccsdtq_lambda1_2_1.o ccsdtq_lambda1_2_2.o ccsdtq_lambda1_2_2_1.o OFFSET_ccsdtq_lambda1_2_2_1.o ccsdtq_lambda1_2_2_2.o ccsdtq_lambda1_2_3.o ccsdtq_lambda1_2_4.o ccsdtq_lambda1_3.o ccsdtq_lambda1_3_1.o OFFSET_ccsdtq_lambda1_3_1.o ccsdtq_lambda1_3_2.o ccsdtq_lambda1_3_3.o ccsdtq_lambda1_3_3_1.o OFFSET_ccsdtq_lambda1_3_3_1.o ccsdtq_lambda1_4.o ccsdtq_lambda1_5.o ccsdtq_lambda1_5_1.o OFFSET_ccsdtq_lambda1_5_1.o ccsdtq_lambda1_5_2.o ccsdtq_lambda1_5_2_1.o OFFSET_ccsdtq_lambda1_5_2_1.o ccsdtq_lambda1_5_2_2.o ccsdtq_lambda1_5_2_2_1.o OFFSET_ccsdtq_lambda1_5_2_2_1.o ccsdtq_lambda1_5_2_2_2.o ccsdtq_lambda1_5_2_3.o ccsdtq_lambda1_5_2_4.o ccsdtq_lambda1_5_3.o ccsdtq_lambda1_5_3_1.o OFFSET_ccsdtq_lambda1_5_3_1.o ccsdtq_lambda1_5_3_2.o ccsdtq_lambda1_5_4.o ccsdtq_lambda1_5_5.o ccsdtq_lambda1_5_5_1.o OFFSET_ccsdtq_lambda1_5_5_1.o ccsdtq_lambda1_5_5_2.o ccsdtq_lambda1_5_6.o ccsdtq_lambda1_5_6_1.o OFFSET_ccsdtq_lambda1_5_6_1.o ccsdtq_lambda1_5_6_2.o ccsdtq_lambda1_5_7.o ccsdtq_lambda1_5_8.o ccsdtq_lambda1_6.o ccsdtq_lambda1_6_1.o OFFSET_ccsdtq_lambda1_6_1.o ccsdtq_lambda1_6_2.o ccsdtq_lambda1_6_2_1.o OFFSET_ccsdtq_lambda1_6_2_1.o ccsdtq_lambda1_6_2_2.o ccsdtq_lambda1_6_2_2_1.o OFFSET_ccsdtq_lambda1_6_2_2_1.o ccsdtq_lambda1_6_2_2_2.o ccsdtq_lambda1_6_2_3.o ccsdtq_lambda1_6_3.o ccsdtq_lambda1_6_3_1.o OFFSET_ccsdtq_lambda1_6_3_1.o ccsdtq_lambda1_6_3_2.o ccsdtq_lambda1_6_4.o ccsdtq_lambda1_6_4_1.o OFFSET_ccsdtq_lambda1_6_4_1.o ccsdtq_lambda1_6_4_2.o ccsdtq_lambda1_6_5.o ccsdtq_lambda1_6_5_1.o OFFSET_ccsdtq_lambda1_6_5_1.o ccsdtq_lambda1_6_5_2.o ccsdtq_lambda1_6_6.o ccsdtq_lambda1_6_7.o ccsdtq_lambda1_7.o ccsdtq_lambda1_7_1.o OFFSET_ccsdtq_lambda1_7_1.o ccsdtq_lambda1_7_2.o ccsdtq_lambda1_8.o ccsdtq_lambda1_8_1.o OFFSET_ccsdtq_lambda1_8_1.o ccsdtq_lambda1_8_2.o ccsdtq_lambda1_8_2_1.o OFFSET_ccsdtq_lambda1_8_2_1.o ccsdtq_lambda1_8_2_2.o ccsdtq_lambda1_8_2_2_1.o OFFSET_ccsdtq_lambda1_8_2_2_1.o ccsdtq_lambda1_8_2_2_2.o ccsdtq_lambda1_8_2_2_2_1.o OFFSET_ccsdtq_lambda1_8_2_2_2_1.o ccsdtq_lambda1_8_2_2_2_2.o ccsdtq_lambda1_8_2_2_3.o ccsdtq_lambda1_8_2_3.o ccsdtq_lambda1_8_2_3_1.o OFFSET_ccsdtq_lambda1_8_2_3_1.o ccsdtq_lambda1_8_2_3_2.o ccsdtq_lambda1_8_2_4.o ccsdtq_lambda1_8_2_5.o ccsdtq_lambda1_8_2_5_1.o OFFSET_ccsdtq_lambda1_8_2_5_1.o ccsdtq_lambda1_8_3.o ccsdtq_lambda1_8_3_1.o OFFSET_ccsdtq_lambda1_8_3_1.o ccsdtq_lambda1_8_3_2.o ccsdtq_lambda1_8_4.o ccsdtq_lambda1_8_4_1.o OFFSET_ccsdtq_lambda1_8_4_1.o ccsdtq_lambda1_8_4_2.o ccsdtq_lambda1_8_4_2_1.o OFFSET_ccsdtq_lambda1_8_4_2_1.o ccsdtq_lambda1_8_5.o ccsdtq_lambda1_8_5_1.o OFFSET_ccsdtq_lambda1_8_5_1.o ccsdtq_lambda1_8_5_2.o ccsdtq_lambda1_8_5_2_1.o OFFSET_ccsdtq_lambda1_8_5_2_1.o ccsdtq_lambda1_8_6.o ccsdtq_lambda1_8_6_1.o OFFSET_ccsdtq_lambda1_8_6_1.o ccsdtq_lambda1_8_6_2.o ccsdtq_lambda1_8_6_2_1.o OFFSET_ccsdtq_lambda1_8_6_2_1.o ccsdtq_lambda1_8_6_2_2.o ccsdtq_lambda1_8_6_3.o ccsdtq_lambda1_8_7.o ccsdtq_lambda1_8_7_1.o OFFSET_ccsdtq_lambda1_8_7_1.o ccsdtq_lambda1_8_7_2.o ccsdtq_lambda1_8_7_3.o ccsdtq_lambda1_8_8.o ccsdtq_lambda1_8_9.o ccsdtq_lambda1_8_9_1.o OFFSET_ccsdtq_lambda1_8_9_1.o ccsdtq_lambda1_8_9_2.o ccsdtq_lambda1_8_10.o ccsdtq_lambda1_8_10_1.o OFFSET_ccsdtq_lambda1_8_10_1.o ccsdtq_lambda1_8_10_2.o ccsdtq_lambda1_8_11.o ccsdtq_lambda1_8_12.o ccsdtq_lambda1_8_13.o ccsdtq_lambda1_8_13_1.o OFFSET_ccsdtq_lambda1_8_13_1.o ccsdtq_lambda1_8_13_2.o ccsdtq_lambda1_8_13_3.o ccsdtq_lambda1_8_14.o ccsdtq_lambda1_8_14_1.o OFFSET_ccsdtq_lambda1_8_14_1.o ccsdtq_lambda1_8_14_2.o ccsdtq_lambda1_8_14_3.o ccsdtq_lambda1_8_15.o ccsdtq_lambda1_8_15_1.o OFFSET_ccsdtq_lambda1_8_15_1.o ccsdtq_lambda1_8_15_2.o ccsdtq_lambda1_9.o ccsdtq_lambda1_9_1.o OFFSET_ccsdtq_lambda1_9_1.o ccsdtq_lambda1_9_2.o ccsdtq_lambda1_9_3.o ccsdtq_lambda1_9_4.o ccsdtq_lambda1_9_5.o ccsdtq_lambda1_9_5_1.o OFFSET_ccsdtq_lambda1_9_5_1.o ccsdtq_lambda1_9_5_2.o ccsdtq_lambda1_9_5_3.o ccsdtq_lambda1_9_5_4.o ccsdtq_lambda1_9_6.o ccsdtq_lambda1_9_6_1.o OFFSET_ccsdtq_lambda1_9_6_1.o ccsdtq_lambda1_9_6_2.o ccsdtq_lambda1_9_6_2_1.o OFFSET_ccsdtq_lambda1_9_6_2_1.o ccsdtq_lambda1_9_6_2_2.o ccsdtq_lambda1_9_6_3.o ccsdtq_lambda1_9_7.o ccsdtq_lambda1_9_7_1.o OFFSET_ccsdtq_lambda1_9_7_1.o ccsdtq_lambda1_9_7_2.o ccsdtq_lambda1_9_8.o ccsdtq_lambda1_9_8_1.o OFFSET_ccsdtq_lambda1_9_8_1.o ccsdtq_lambda1_10.o ccsdtq_lambda1_10_1.o OFFSET_ccsdtq_lambda1_10_1.o ccsdtq_lambda1_10_2.o ccsdtq_lambda1_10_3.o ccsdtq_lambda1_10_4.o ccsdtq_lambda1_11.o ccsdtq_lambda1_11_1.o OFFSET_ccsdtq_lambda1_11_1.o ccsdtq_lambda1_11_2.o ccsdtq_lambda1_11_3.o ccsdtq_lambda1_11_4.o ccsdtq_lambda1_12.o ccsdtq_lambda1_12_1.o OFFSET_ccsdtq_lambda1_12_1.o ccsdtq_lambda1_12_2.o ccsdtq_lambda1_12_3.o ccsdtq_lambda1_12_4.o ccsdtq_lambda1_13.o ccsdtq_lambda1_13_1.o OFFSET_ccsdtq_lambda1_13_1.o ccsdtq_lambda1_13_2.o ccsdtq_lambda1_13_3.o ccsdtq_lambda1_14.o ccsdtq_lambda1_14_1.o OFFSET_ccsdtq_lambda1_14_1.o ccsdtq_lambda1_14_2.o ccsdtq_lambda1_14_3.o ccsdtq_lambda1_14_4.o ccsdtq_lambda1_14_4_1.o OFFSET_ccsdtq_lambda1_14_4_1.o ccsdtq_lambda1_14_4_2.o ccsdtq_lambda1_14_4_3.o ccsdtq_lambda1_14_4_4.o ccsdtq_lambda1_14_4_4_1.o OFFSET_ccsdtq_lambda1_14_4_4_1.o ccsdtq_lambda1_14_4_4_2.o ccsdtq_lambda1_14_4_4_3.o ccsdtq_lambda1_14_4_5.o ccsdtq_lambda1_14_4_5_1.o OFFSET_ccsdtq_lambda1_14_4_5_1.o ccsdtq_lambda1_14_4_5_1_1.o OFFSET_ccsdtq_lambda1_14_4_5_1_1.o ccsdtq_lambda1_14_4_5_1_2.o ccsdtq_lambda1_14_4_5_1_3.o ccsdtq_lambda1_14_5.o ccsdtq_lambda1_14_5_1.o OFFSET_ccsdtq_lambda1_14_5_1.o ccsdtq_lambda1_14_6.o ccsdtq_lambda1_14_6_1.o OFFSET_ccsdtq_lambda1_14_6_1.o ccsdtq_lambda1_14_6_2.o ccsdtq_lambda1_14_6_3.o ccsdtq_lambda1_14_7.o ccsdtq_lambda1_14_7_1.o OFFSET_ccsdtq_lambda1_14_7_1.o ccsdtq_lambda1_14_7_2.o ccsdtq_lambda1_14_8.o ccsdtq_lambda1_14_8_1.o OFFSET_ccsdtq_lambda1_14_8_1.o ccsdtq_lambda1_14_9.o ccsdtq_lambda1_14_9_1.o OFFSET_ccsdtq_lambda1_14_9_1.o ccsdtq_lambda1_14_9_2.o ccsdtq_lambda1_14_10.o ccsdtq_lambda1_14_10_1.o OFFSET_ccsdtq_lambda1_14_10_1.o ccsdtq_lambda1_14_10_1_1.o OFFSET_ccsdtq_lambda1_14_10_1_1.o ccsdtq_lambda1_14_10_1_2.o ccsdtq_lambda1_14_10_2.o ccsdtq_lambda1_14_11.o ccsdtq_lambda1_14_11_1.o OFFSET_ccsdtq_lambda1_14_11_1.o ccsdtq_lambda1_14_12.o ccsdtq_lambda1_14_12_1.o OFFSET_ccsdtq_lambda1_14_12_1.o ccsdtq_lambda1_14_12_1_1.o OFFSET_ccsdtq_lambda1_14_12_1_1.o ccsdtq_lambda1_14_12_2.o ccsdtq_lambda1_14_12_2_1.o OFFSET_ccsdtq_lambda1_14_12_2_1.o ccsdtq_lambda1_14_13.o ccsdtq_lambda1_14_13_1.o OFFSET_ccsdtq_lambda1_14_13_1.o ccsdtq_lambda1_14_13_1_1.o OFFSET_ccsdtq_lambda1_14_13_1_1.o ccsdtq_lambda1_14_13_1_1_1.o OFFSET_ccsdtq_lambda1_14_13_1_1_1.o ccsdtq_lambda1_14_13_1_1_2.o ccsdtq_lambda1_15.o ccsdtq_lambda1_15_1.o OFFSET_ccsdtq_lambda1_15_1.o ccsdtq_lambda1_15_2.o ccsdtq_lambda1_15_3.o ccsdtq_lambda1_15_4.o ccsdtq_lambda1_15_4_1.o OFFSET_ccsdtq_lambda1_15_4_1.o ccsdtq_lambda1_15_5.o ccsdtq_lambda1_15_5_1.o OFFSET_ccsdtq_lambda1_15_5_1.o ccsdtq_lambda1_15_5_2.o ccsdtq_lambda1_15_6.o ccsdtq_lambda1_15_6_1.o OFFSET_ccsdtq_lambda1_15_6_1.o ccsdtq_lambda1_15_6_1_1.o OFFSET_ccsdtq_lambda1_15_6_1_1.o ccsdtq_lambda1_15_6_1_2.o ccsdtq_lambda1_15_6_1_3.o ccsdtq_lambda1_16.o ccsdtq_lambda1_16_1.o OFFSET_ccsdtq_lambda1_16_1.o ccsdtq_lambda1_16_2.o ccsdtq_lambda1_16_3.o ccsdtq_lambda1_16_4.o ccsdtq_lambda1_16_4_1.o OFFSET_ccsdtq_lambda1_16_4_1.o ccsdtq_lambda1_16_4_2.o ccsdtq_lambda1_16_4_3.o ccsdtq_lambda1_16_5.o ccsdtq_lambda1_16_5_1.o OFFSET_ccsdtq_lambda1_16_5_1.o ccsdtq_lambda1_16_5_2.o ccsdtq_lambda1_16_5_2_1.o OFFSET_ccsdtq_lambda1_16_5_2_1.o ccsdtq_lambda1_16_5_2_2.o ccsdtq_lambda1_16_6.o ccsdtq_lambda1_16_6_1.o OFFSET_ccsdtq_lambda1_16_6_1.o ccsdtq_lambda1_17.o ccsdtq_lambda1_17_1.o OFFSET_ccsdtq_lambda1_17_1.o ccsdtq_lambda1_17_2.o ccsdtq_lambda1_18.o ccsdtq_lambda1_18_1.o OFFSET_ccsdtq_lambda1_18_1.o ccsdtq_lambda1_18_1_1.o OFFSET_ccsdtq_lambda1_18_1_1.o ccsdtq_lambda1_18_1_2.o ccsdtq_lambda1_18_1_3.o ccsdtq_lambda1_18_1_4.o ccsdtq_lambda1_18_1_4_1.o OFFSET_ccsdtq_lambda1_18_1_4_1.o ccsdtq_lambda1_18_1_4_2.o ccsdtq_lambda1_18_2.o ccsdtq_lambda1_18_2_1.o OFFSET_ccsdtq_lambda1_18_2_1.o ccsdtq_lambda1_18_2_2.o ccsdtq_lambda1_18_3.o ccsdtq_lambda1_18_3_1.o OFFSET_ccsdtq_lambda1_18_3_1.o ccsdtq_lambda1_18_3_2.o ccsdtq_lambda1_18_4.o ccsdtq_lambda1_18_5.o ccsdtq_lambda1_18_6.o ccsdtq_lambda1_18_6_1.o OFFSET_ccsdtq_lambda1_18_6_1.o ccsdtq_lambda1_18_7.o ccsdtq_lambda1_18_7_1.o OFFSET_ccsdtq_lambda1_18_7_1.o ccsdtq_lambda1_18_7_1_1.o OFFSET_ccsdtq_lambda1_18_7_1_1.o ccsdtq_lambda1_19.o ccsdtq_lambda1_19_1.o OFFSET_ccsdtq_lambda1_19_1.o ccsdtq_lambda1_19_2.o ccsdtq_lambda1_20.o ccsdtq_lambda1_20_1.o OFFSET_ccsdtq_lambda1_20_1.o ccsdtq_lambda1_20_1_1.o OFFSET_ccsdtq_lambda1_20_1_1.o ccsdtq_lambda1_20_1_2.o ccsdtq_lambda1_20_1_2_1.o OFFSET_ccsdtq_lambda1_20_1_2_1.o ccsdtq_lambda1_20_1_2_2.o ccsdtq_lambda1_20_1_2_2_1.o OFFSET_ccsdtq_lambda1_20_1_2_2_1.o ccsdtq_lambda1_20_1_2_2_2.o ccsdtq_lambda1_20_1_3.o ccsdtq_lambda1_20_1_4.o ccsdtq_lambda1_20_1_4_1.o OFFSET_ccsdtq_lambda1_20_1_4_1.o ccsdtq_lambda1_20_1_4_2.o ccsdtq_lambda1_20_1_4_3.o ccsdtq_lambda1_20_1_4_3_1.o OFFSET_ccsdtq_lambda1_20_1_4_3_1.o ccsdtq_lambda1_20_1_4_3_2.o ccsdtq_lambda1_20_1_5.o ccsdtq_lambda1_20_1_5_1.o OFFSET_ccsdtq_lambda1_20_1_5_1.o ccsdtq_lambda1_20_1_5_2.o ccsdtq_lambda1_20_2.o ccsdtq_lambda1_20_2_1.o OFFSET_ccsdtq_lambda1_20_2_1.o ccsdtq_lambda1_20_2_2.o ccsdtq_lambda1_20_2_3.o ccsdtq_lambda1_20_2_4.o ccsdtq_lambda1_20_2_4_1.o OFFSET_ccsdtq_lambda1_20_2_4_1.o ccsdtq_lambda1_20_2_4_2.o ccsdtq_lambda1_20_2_5.o ccsdtq_lambda1_20_2_5_1.o OFFSET_ccsdtq_lambda1_20_2_5_1.o ccsdtq_lambda1_20_2_5_2.o ccsdtq_lambda1_20_2_6.o ccsdtq_lambda1_20_2_6_1.o OFFSET_ccsdtq_lambda1_20_2_6_1.o ccsdtq_lambda1_20_2_6_1_1.o OFFSET_ccsdtq_lambda1_20_2_6_1_1.o ccsdtq_lambda1_20_2_6_1_2.o ccsdtq_lambda1_20_3.o ccsdtq_lambda1_20_3_1.o OFFSET_ccsdtq_lambda1_20_3_1.o ccsdtq_lambda1_20_3_2.o ccsdtq_lambda1_20_3_2_1.o OFFSET_ccsdtq_lambda1_20_3_2_1.o ccsdtq_lambda1_20_4.o ccsdtq_lambda1_20_4_1.o OFFSET_ccsdtq_lambda1_20_4_1.o ccsdtq_lambda1_20_4_2.o ccsdtq_lambda1_20_4_2_1.o OFFSET_ccsdtq_lambda1_20_4_2_1.o ccsdtq_lambda1_20_5.o ccsdtq_lambda1_20_5_1.o OFFSET_ccsdtq_lambda1_20_5_1.o ccsdtq_lambda1_20_5_2.o ccsdtq_lambda1_20_5_3.o ccsdtq_lambda1_20_6.o ccsdtq_lambda1_20_6_1.o OFFSET_ccsdtq_lambda1_20_6_1.o ccsdtq_lambda1_20_6_2.o ccsdtq_lambda1_20_6_3.o ccsdtq_lambda1_20_6_4.o ccsdtq_lambda1_20_7.o ccsdtq_lambda1_20_8.o ccsdtq_lambda1_20_8_1.o OFFSET_ccsdtq_lambda1_20_8_1.o ccsdtq_lambda1_20_8_2.o ccsdtq_lambda1_20_9.o ccsdtq_lambda1_20_9_1.o OFFSET_ccsdtq_lambda1_20_9_1.o ccsdtq_lambda1_20_9_2.o ccsdtq_lambda1_20_10.o ccsdtq_lambda1_20_11.o ccsdtq_lambda1_20_11_1.o OFFSET_ccsdtq_lambda1_20_11_1.o ccsdtq_lambda1_20_11_2.o ccsdtq_lambda1_20_11_3.o ccsdtq_lambda1_20_12.o ccsdtq_lambda1_20_12_1.o OFFSET_ccsdtq_lambda1_20_12_1.o ccsdtq_lambda1_20_12_2.o ccsdtq_lambda1_20_12_3.o ccsdtq_lambda1_20_13.o ccsdtq_lambda1_20_13_1.o OFFSET_ccsdtq_lambda1_20_13_1.o ccsdtq_lambda1_20_14.o ccsdtq_lambda1_20_14_1.o OFFSET_ccsdtq_lambda1_20_14_1.o ccsdtq_lambda1_20_15.o ccsdtq_lambda1_20_15_1.o OFFSET_ccsdtq_lambda1_20_15_1.o ccsdtq_lambda1_20_15_1_1.o OFFSET_ccsdtq_lambda1_20_15_1_1.o ccsdtq_lambda1_20_15_1_2.o ccsdtq_lambda1_20_15_1_3.o ccsdtq_lambda1_20_15_1_3_1.o OFFSET_ccsdtq_lambda1_20_15_1_3_1.o ccsdtq_lambda1_20_15_1_3_2.o ccsdtq_lambda1_20_15_2.o ccsdtq_lambda1_20_15_3.o ccsdtq_lambda1_20_15_3_1.o OFFSET_ccsdtq_lambda1_20_15_3_1.o ccsdtq_lambda1_20_15_3_1_1.o OFFSET_ccsdtq_lambda1_20_15_3_1_1.o ccsdtq_lambda1_20_16.o ccsdtq_lambda1_20_16_1.o OFFSET_ccsdtq_lambda1_20_16_1.o ccsdtq_lambda1_20_16_2.o ccsdtq_lambda1_20_16_2_1.o OFFSET_ccsdtq_lambda1_20_16_2_1.o ccsdtq_lambda1_20_16_2_1_1.o OFFSET_ccsdtq_lambda1_20_16_2_1_1.o ccsdtq_lambda1_20_17.o ccsdtq_lambda1_20_17_1.o OFFSET_ccsdtq_lambda1_20_17_1.o ccsdtq_lambda1_20_18.o ccsdtq_lambda1_20_18_1.o OFFSET_ccsdtq_lambda1_20_18_1.o ccsdtq_lambda1_20_18_1_1.o OFFSET_ccsdtq_lambda1_20_18_1_1.o ccsdtq_lambda1_20_19.o ccsdtq_lambda1_20_19_1.o OFFSET_ccsdtq_lambda1_20_19_1.o ccsdtq_lambda1_20_19_1_1.o OFFSET_ccsdtq_lambda1_20_19_1_1.o ccsdtq_lambda1_20_20.o ccsdtq_lambda1_20_20_1.o OFFSET_ccsdtq_lambda1_20_20_1.o ccsdtq_lambda1_20_20_1_1.o OFFSET_ccsdtq_lambda1_20_20_1_1.o ccsdtq_lambda1_20_21.o ccsdtq_lambda1_20_21_1.o OFFSET_ccsdtq_lambda1_20_21_1.o ccsdtq_lambda1_20_21_1_1.o OFFSET_ccsdtq_lambda1_20_21_1_1.o ccsdtq_lambda1_20_22.o ccsdtq_lambda1_20_22_1.o OFFSET_ccsdtq_lambda1_20_22_1.o ccsdtq_lambda1_20_22_1_1.o OFFSET_ccsdtq_lambda1_20_22_1_1.o ccsdtq_lambda1_20_23.o ccsdtq_lambda1_20_23_1.o OFFSET_ccsdtq_lambda1_20_23_1.o ccsdtq_lambda1_20_23_1_1.o OFFSET_ccsdtq_lambda1_20_23_1_1.o ccsdtq_lambda1_20_24.o ccsdtq_lambda1_20_24_1.o OFFSET_ccsdtq_lambda1_20_24_1.o ccsdtq_lambda1_20_24_1_1.o OFFSET_ccsdtq_lambda1_20_24_1_1.o ccsdtq_lambda1_21.o ccsdtq_lambda1_21_1.o OFFSET_ccsdtq_lambda1_21_1.o ccsdtq_lambda1_21_1_1.o OFFSET_ccsdtq_lambda1_21_1_1.o ccsdtq_lambda1_21_1_2.o ccsdtq_lambda1_21_1_3.o ccsdtq_lambda1_21_1_4.o ccsdtq_lambda1_21_2.o ccsdtq_lambda1_21_2_1.o OFFSET_ccsdtq_lambda1_21_2_1.o ccsdtq_lambda1_21_2_2.o ccsdtq_lambda1_21_3.o ccsdtq_lambda1_21_3_1.o OFFSET_ccsdtq_lambda1_21_3_1.o ccsdtq_lambda1_21_3_2.o ccsdtq_lambda1_21_4.o ccsdtq_lambda1_21_5.o ccsdtq_lambda1_21_5_1.o OFFSET_ccsdtq_lambda1_21_5_1.o ccsdtq_lambda1_21_6.o ccsdtq_lambda1_21_6_1.o OFFSET_ccsdtq_lambda1_21_6_1.o ccsdtq_lambda1_21_6_1_1.o OFFSET_ccsdtq_lambda1_21_6_1_1.o ccsdtq_lambda1_21_6_1_2.o ccsdtq_lambda1_21_6_1_3.o ccsdtq_lambda1_21_6_1_4.o ccsdtq_lambda1_21_6_1_4_1.o OFFSET_ccsdtq_lambda1_21_6_1_4_1.o ccsdtq_lambda1_21_6_1_4_2.o ccsdtq_lambda1_21_6_1_4_3.o ccsdtq_lambda1_21_7.o ccsdtq_lambda1_21_7_1.o OFFSET_ccsdtq_lambda1_21_7_1.o ccsdtq_lambda1_21_8.o ccsdtq_lambda1_21_8_1.o OFFSET_ccsdtq_lambda1_21_8_1.o ccsdtq_lambda1_21_8_1_1.o OFFSET_ccsdtq_lambda1_21_8_1_1.o ccsdtq_lambda1_22.o ccsdtq_lambda1_22_1.o OFFSET_ccsdtq_lambda1_22_1.o ccsdtq_lambda1_22_1_1.o OFFSET_ccsdtq_lambda1_22_1_1.o ccsdtq_lambda1_22_1_2.o ccsdtq_lambda1_22_2.o ccsdtq_lambda1_22_2_1.o OFFSET_ccsdtq_lambda1_22_2_1.o ccsdtq_lambda1_22_2_1_1.o OFFSET_ccsdtq_lambda1_22_2_1_1.o ccsdtq_lambda1_22_2_1_2.o ccsdtq_lambda1_23.o ccsdtq_lambda1_23_1.o OFFSET_ccsdtq_lambda1_23_1.o ccsdtq_lambda1_23_1_1.o OFFSET_ccsdtq_lambda1_23_1_1.o ccsdtq_lambda1_23_1_1_1.o OFFSET_ccsdtq_lambda1_23_1_1_1.o ccsdtq_lambda1_23_1_1_2.o ccsdtq_lambda1_23_1_2.o ccsdtq_lambda1_23_2.o ccsdtq_lambda1_23_2_1.o OFFSET_ccsdtq_lambda1_23_2_1.o ccsdtq_lambda1_23_3.o ccsdtq_lambda1_23_3_1.o OFFSET_ccsdtq_lambda1_23_3_1.o ccsdtq_lambda1_23_3_1_1.o OFFSET_ccsdtq_lambda1_23_3_1_1.o ccsdtq_lambda1_23_3_1_2.o ccsdtq_lambda1_23_4.o ccsdtq_lambda1_23_4_1.o OFFSET_ccsdtq_lambda1_23_4_1.o ccsdtq_lambda1_23_4_1_1.o OFFSET_ccsdtq_lambda1_23_4_1_1.o ccsdtq_lambda1_23_4_1_1_1.o OFFSET_ccsdtq_lambda1_23_4_1_1_1.o ccsdtq_lambda1_23_4_1_1_2.o ccsdtq_lambda2_1.o ccsdtq_lambda2_2.o ccsdtq_lambda2_2_1.o OFFSET_ccsdtq_lambda2_2_1.o ccsdtq_lambda2_2_2.o ccsdtq_lambda2_3.o ccsdtq_lambda2_3_1.o OFFSET_ccsdtq_lambda2_3_1.o ccsdtq_lambda2_3_2.o ccsdtq_lambda2_4.o ccsdtq_lambda2_5.o ccsdtq_lambda2_5_1.o OFFSET_ccsdtq_lambda2_5_1.o ccsdtq_lambda2_5_2.o ccsdtq_lambda2_5_2_1.o OFFSET_ccsdtq_lambda2_5_2_1.o ccsdtq_lambda2_5_2_2.o ccsdtq_lambda2_5_3.o ccsdtq_lambda2_5_4.o ccsdtq_lambda2_6.o ccsdtq_lambda2_6_1.o OFFSET_ccsdtq_lambda2_6_1.o ccsdtq_lambda2_6_2.o ccsdtq_lambda2_6_3.o ccsdtq_lambda2_6_4.o ccsdtq_lambda2_6_4_1.o OFFSET_ccsdtq_lambda2_6_4_1.o ccsdtq_lambda2_7.o ccsdtq_lambda2_7_1.o OFFSET_ccsdtq_lambda2_7_1.o ccsdtq_lambda2_7_2.o ccsdtq_lambda2_7_2_1.o OFFSET_ccsdtq_lambda2_7_2_1.o ccsdtq_lambda2_7_2_2.o ccsdtq_lambda2_7_3.o ccsdtq_lambda2_8.o ccsdtq_lambda2_8_1.o OFFSET_ccsdtq_lambda2_8_1.o ccsdtq_lambda2_8_2.o ccsdtq_lambda2_8_3.o ccsdtq_lambda2_9.o ccsdtq_lambda2_10.o ccsdtq_lambda2_10_1.o OFFSET_ccsdtq_lambda2_10_1.o ccsdtq_lambda2_10_2.o ccsdtq_lambda2_10_2_1.o OFFSET_ccsdtq_lambda2_10_2_1.o ccsdtq_lambda2_10_2_2.o ccsdtq_lambda2_10_2_2_1.o OFFSET_ccsdtq_lambda2_10_2_2_1.o ccsdtq_lambda2_10_2_2_2.o ccsdtq_lambda2_10_2_3.o ccsdtq_lambda2_10_2_4.o ccsdtq_lambda2_10_3.o ccsdtq_lambda2_10_3_1.o OFFSET_ccsdtq_lambda2_10_3_1.o ccsdtq_lambda2_10_3_2.o ccsdtq_lambda2_10_3_3.o ccsdtq_lambda2_10_4.o ccsdtq_lambda2_10_5.o ccsdtq_lambda2_10_5_1.o OFFSET_ccsdtq_lambda2_10_5_1.o ccsdtq_lambda2_10_5_2.o ccsdtq_lambda2_10_6.o ccsdtq_lambda2_10_7.o ccsdtq_lambda2_10_8.o ccsdtq_lambda2_11.o ccsdtq_lambda2_11_1.o OFFSET_ccsdtq_lambda2_11_1.o ccsdtq_lambda2_11_2.o ccsdtq_lambda2_11_2_1.o OFFSET_ccsdtq_lambda2_11_2_1.o ccsdtq_lambda2_11_2_2.o ccsdtq_lambda2_11_2_2_1.o OFFSET_ccsdtq_lambda2_11_2_2_1.o ccsdtq_lambda2_11_2_2_2.o ccsdtq_lambda2_11_2_3.o ccsdtq_lambda2_11_3.o ccsdtq_lambda2_11_3_1.o OFFSET_ccsdtq_lambda2_11_3_1.o ccsdtq_lambda2_11_3_2.o ccsdtq_lambda2_11_4.o ccsdtq_lambda2_11_4_1.o OFFSET_ccsdtq_lambda2_11_4_1.o ccsdtq_lambda2_11_4_2.o ccsdtq_lambda2_11_5.o ccsdtq_lambda2_11_5_1.o OFFSET_ccsdtq_lambda2_11_5_1.o ccsdtq_lambda2_11_5_2.o ccsdtq_lambda2_11_6.o ccsdtq_lambda2_11_7.o ccsdtq_lambda2_12.o ccsdtq_lambda2_12_1.o OFFSET_ccsdtq_lambda2_12_1.o ccsdtq_lambda2_12_2.o ccsdtq_lambda2_12_3.o ccsdtq_lambda2_12_3_1.o OFFSET_ccsdtq_lambda2_12_3_1.o ccsdtq_lambda2_12_3_2.o ccsdtq_lambda2_12_4.o ccsdtq_lambda2_12_5.o ccsdtq_lambda2_12_6.o ccsdtq_lambda2_12_6_1.o OFFSET_ccsdtq_lambda2_12_6_1.o ccsdtq_lambda2_12_7.o ccsdtq_lambda2_12_7_1.o OFFSET_ccsdtq_lambda2_12_7_1.o ccsdtq_lambda2_13.o ccsdtq_lambda2_13_1.o OFFSET_ccsdtq_lambda2_13_1.o ccsdtq_lambda2_13_2.o ccsdtq_lambda2_13_2_1.o OFFSET_ccsdtq_lambda2_13_2_1.o ccsdtq_lambda2_13_2_2.o ccsdtq_lambda2_13_2_2_1.o OFFSET_ccsdtq_lambda2_13_2_2_1.o ccsdtq_lambda2_13_2_2_2.o ccsdtq_lambda2_13_2_2_2_1.o OFFSET_ccsdtq_lambda2_13_2_2_2_1.o ccsdtq_lambda2_13_2_2_2_2.o ccsdtq_lambda2_13_2_2_3.o ccsdtq_lambda2_13_2_3.o ccsdtq_lambda2_13_2_3_1.o OFFSET_ccsdtq_lambda2_13_2_3_1.o ccsdtq_lambda2_13_2_3_2.o ccsdtq_lambda2_13_2_4.o ccsdtq_lambda2_13_2_5.o ccsdtq_lambda2_13_2_5_1.o OFFSET_ccsdtq_lambda2_13_2_5_1.o ccsdtq_lambda2_13_3.o ccsdtq_lambda2_13_3_1.o OFFSET_ccsdtq_lambda2_13_3_1.o ccsdtq_lambda2_13_3_2.o ccsdtq_lambda2_13_4.o ccsdtq_lambda2_13_4_1.o OFFSET_ccsdtq_lambda2_13_4_1.o ccsdtq_lambda2_13_4_2.o ccsdtq_lambda2_13_4_2_1.o OFFSET_ccsdtq_lambda2_13_4_2_1.o ccsdtq_lambda2_13_5.o ccsdtq_lambda2_13_5_1.o OFFSET_ccsdtq_lambda2_13_5_1.o ccsdtq_lambda2_13_5_2.o ccsdtq_lambda2_13_5_2_1.o OFFSET_ccsdtq_lambda2_13_5_2_1.o ccsdtq_lambda2_13_6.o ccsdtq_lambda2_13_6_1.o OFFSET_ccsdtq_lambda2_13_6_1.o ccsdtq_lambda2_13_6_2.o ccsdtq_lambda2_13_6_2_1.o OFFSET_ccsdtq_lambda2_13_6_2_1.o ccsdtq_lambda2_13_6_2_2.o ccsdtq_lambda2_13_6_3.o ccsdtq_lambda2_13_7.o ccsdtq_lambda2_13_7_1.o OFFSET_ccsdtq_lambda2_13_7_1.o ccsdtq_lambda2_13_7_2.o ccsdtq_lambda2_13_7_3.o ccsdtq_lambda2_13_8.o ccsdtq_lambda2_13_9.o ccsdtq_lambda2_13_9_1.o OFFSET_ccsdtq_lambda2_13_9_1.o ccsdtq_lambda2_13_9_2.o ccsdtq_lambda2_13_10.o ccsdtq_lambda2_13_10_1.o OFFSET_ccsdtq_lambda2_13_10_1.o ccsdtq_lambda2_13_10_2.o ccsdtq_lambda2_13_11.o ccsdtq_lambda2_13_12.o ccsdtq_lambda2_13_13.o ccsdtq_lambda2_13_13_1.o OFFSET_ccsdtq_lambda2_13_13_1.o ccsdtq_lambda2_13_13_2.o ccsdtq_lambda2_13_13_3.o ccsdtq_lambda2_13_14.o ccsdtq_lambda2_13_14_1.o OFFSET_ccsdtq_lambda2_13_14_1.o ccsdtq_lambda2_13_14_2.o ccsdtq_lambda2_13_14_3.o ccsdtq_lambda2_13_15.o ccsdtq_lambda2_13_15_1.o OFFSET_ccsdtq_lambda2_13_15_1.o ccsdtq_lambda2_13_15_2.o ccsdtq_lambda2_14.o ccsdtq_lambda2_14_1.o OFFSET_ccsdtq_lambda2_14_1.o ccsdtq_lambda2_14_2.o ccsdtq_lambda2_14_3.o ccsdtq_lambda2_14_4.o ccsdtq_lambda2_15.o ccsdtq_lambda2_15_1.o OFFSET_ccsdtq_lambda2_15_1.o ccsdtq_lambda2_15_2.o ccsdtq_lambda2_15_3.o ccsdtq_lambda2_16.o ccsdtq_lambda2_16_1.o OFFSET_ccsdtq_lambda2_16_1.o ccsdtq_lambda2_16_2.o ccsdtq_lambda2_16_3.o ccsdtq_lambda2_17.o ccsdtq_lambda2_17_1.o OFFSET_ccsdtq_lambda2_17_1.o ccsdtq_lambda2_17_2.o ccsdtq_lambda2_17_3.o ccsdtq_lambda2_18.o ccsdtq_lambda2_18_1.o OFFSET_ccsdtq_lambda2_18_1.o ccsdtq_lambda2_18_2.o ccsdtq_lambda2_19.o ccsdtq_lambda2_19_1.o OFFSET_ccsdtq_lambda2_19_1.o ccsdtq_lambda2_19_2.o ccsdtq_lambda2_19_3.o ccsdtq_lambda2_20.o ccsdtq_lambda2_20_1.o OFFSET_ccsdtq_lambda2_20_1.o ccsdtq_lambda2_20_2.o ccsdtq_lambda2_20_3.o ccsdtq_lambda2_20_4.o ccsdtq_lambda2_20_4_1.o OFFSET_ccsdtq_lambda2_20_4_1.o ccsdtq_lambda2_20_5.o ccsdtq_lambda2_20_5_1.o OFFSET_ccsdtq_lambda2_20_5_1.o ccsdtq_lambda2_20_5_2.o ccsdtq_lambda2_20_6.o ccsdtq_lambda2_20_6_1.o OFFSET_ccsdtq_lambda2_20_6_1.o ccsdtq_lambda2_20_6_1_1.o OFFSET_ccsdtq_lambda2_20_6_1_1.o ccsdtq_lambda2_20_6_1_2.o ccsdtq_lambda2_20_6_1_3.o ccsdtq_lambda2_21.o ccsdtq_lambda2_21_1.o OFFSET_ccsdtq_lambda2_21_1.o ccsdtq_lambda2_21_2.o ccsdtq_lambda2_22.o ccsdtq_lambda2_22_1.o OFFSET_ccsdtq_lambda2_22_1.o ccsdtq_lambda2_22_2.o ccsdtq_lambda2_23.o ccsdtq_lambda2_23_1.o OFFSET_ccsdtq_lambda2_23_1.o ccsdtq_lambda2_23_1_1.o OFFSET_ccsdtq_lambda2_23_1_1.o ccsdtq_lambda2_23_1_2.o ccsdtq_lambda2_23_1_3.o ccsdtq_lambda2_23_1_3_1.o OFFSET_ccsdtq_lambda2_23_1_3_1.o ccsdtq_lambda2_23_1_3_2.o ccsdtq_lambda2_23_2.o ccsdtq_lambda2_23_2_1.o OFFSET_ccsdtq_lambda2_23_2_1.o ccsdtq_lambda2_23_2_2.o ccsdtq_lambda2_23_2_3.o ccsdtq_lambda2_23_2_4.o ccsdtq_lambda2_23_2_4_1.o OFFSET_ccsdtq_lambda2_23_2_4_1.o ccsdtq_lambda2_23_2_4_2.o ccsdtq_lambda2_23_3.o ccsdtq_lambda2_23_3_1.o OFFSET_ccsdtq_lambda2_23_3_1.o ccsdtq_lambda2_23_3_2.o ccsdtq_lambda2_23_4.o ccsdtq_lambda2_23_4_1.o OFFSET_ccsdtq_lambda2_23_4_1.o ccsdtq_lambda2_23_4_2.o ccsdtq_lambda2_23_5.o ccsdtq_lambda2_23_5_1.o OFFSET_ccsdtq_lambda2_23_5_1.o ccsdtq_lambda2_23_5_2.o ccsdtq_lambda2_23_6.o ccsdtq_lambda2_23_7.o ccsdtq_lambda2_23_7_1.o OFFSET_ccsdtq_lambda2_23_7_1.o ccsdtq_lambda2_23_7_1_1.o OFFSET_ccsdtq_lambda2_23_7_1_1.o ccsdtq_lambda2_23_8.o ccsdtq_lambda2_23_8_1.o OFFSET_ccsdtq_lambda2_23_8_1.o ccsdtq_lambda2_23_8_1_1.o OFFSET_ccsdtq_lambda2_23_8_1_1.o ccsdtq_lambda2_24.o ccsdtq_lambda2_24_1.o OFFSET_ccsdtq_lambda2_24_1.o ccsdtq_lambda2_24_1_1.o OFFSET_ccsdtq_lambda2_24_1_1.o ccsdtq_lambda2_24_1_2.o ccsdtq_lambda2_24_2.o ccsdtq_lambda2_24_2_1.o OFFSET_ccsdtq_lambda2_24_2_1.o ccsdtq_lambda2_24_2_2.o ccsdtq_lambda2_24_3.o ccsdtq_lambda2_24_3_1.o OFFSET_ccsdtq_lambda2_24_3_1.o ccsdtq_lambda2_24_3_2.o ccsdtq_lambda2_24_4.o ccsdtq_lambda2_25.o ccsdtq_lambda2_25_1.o OFFSET_ccsdtq_lambda2_25_1.o ccsdtq_lambda2_26.o ccsdtq_lambda2_26_1.o OFFSET_ccsdtq_lambda2_26_1.o ccsdtq_lambda2_26_2.o ccsdtq_lambda2_26_3.o ccsdtq_lambda2_26_3_1.o OFFSET_ccsdtq_lambda2_26_3_1.o ccsdtq_lambda2_26_3_2.o ccsdtq_lambda2_26_3_3.o ccsdtq_lambda2_26_4.o ccsdtq_lambda2_26_4_1.o OFFSET_ccsdtq_lambda2_26_4_1.o ccsdtq_lambda2_26_4_2.o ccsdtq_lambda2_26_4_2_1.o OFFSET_ccsdtq_lambda2_26_4_2_1.o ccsdtq_lambda2_26_4_2_2.o ccsdtq_lambda2_26_5.o ccsdtq_lambda2_26_5_1.o OFFSET_ccsdtq_lambda2_26_5_1.o ccsdtq_lambda2_27.o ccsdtq_lambda2_27_1.o OFFSET_ccsdtq_lambda2_27_1.o ccsdtq_lambda2_28.o ccsdtq_lambda2_28_1.o OFFSET_ccsdtq_lambda2_28_1.o ccsdtq_lambda2_28_1_1.o OFFSET_ccsdtq_lambda2_28_1_1.o ccsdtq_lambda2_28_2.o ccsdtq_lambda2_28_2_1.o OFFSET_ccsdtq_lambda2_28_2_1.o ccsdtq_lambda2_29.o ccsdtq_lambda2_29_1.o OFFSET_ccsdtq_lambda2_29_1.o ccsdtq_lambda2_29_1_1.o OFFSET_ccsdtq_lambda2_29_1_1.o ccsdtq_lambda2_29_1_2.o ccsdtq_lambda2_29_2.o ccsdtq_lambda2_29_2_1.o OFFSET_ccsdtq_lambda2_29_2_1.o ccsdtq_lambda2_29_2_1_1.o OFFSET_ccsdtq_lambda2_29_2_1_1.o ccsdtq_lambda2_29_2_1_2.o ccsdtq_lambda2_29_2_1_3.o ccsdtq_lambda2_30.o ccsdtq_lambda2_30_1.o OFFSET_ccsdtq_lambda2_30_1.o ccsdtq_lambda2_30_1_1.o OFFSET_ccsdtq_lambda2_30_1_1.o ccsdtq_lambda2_30_1_2.o ccsdtq_lambda2_30_2.o ccsdtq_lambda2_30_2_1.o OFFSET_ccsdtq_lambda2_30_2_1.o ccsdtq_lambda2_30_2_1_1.o OFFSET_ccsdtq_lambda2_30_2_1_1.o ccsdtq_lambda2_30_2_1_2.o ccsdtq_lambda2_30_3.o ccsdtq_lambda2_30_3_1.o OFFSET_ccsdtq_lambda2_30_3_1.o ccsdtq_lambda2_30_3_1_1.o OFFSET_ccsdtq_lambda2_30_3_1_1.o ccsdtq_lambda2_30_3_1_2.o ccsdtq_lambda2_30_4.o ccsdtq_lambda2_30_4_1.o OFFSET_ccsdtq_lambda2_30_4_1.o ccsdtq_lambda2_30_4_1_1.o OFFSET_ccsdtq_lambda2_30_4_1_1.o ccsdtq_lambda2_31.o ccsdtq_lambda2_31_1.o OFFSET_ccsdtq_lambda2_31_1.o ccsdtq_lambda2_31_1_1.o OFFSET_ccsdtq_lambda2_31_1_1.o ccsdtq_lambda2_31_2.o ccsdtq_lambda2_31_2_1.o OFFSET_ccsdtq_lambda2_31_2_1.o ccsdtq_lambda3_1.o ccsdtq_lambda3_2.o ccsdtq_lambda3_2_1.o OFFSET_ccsdtq_lambda3_2_1.o ccsdtq_lambda3_2_2.o ccsdtq_lambda3_3.o ccsdtq_lambda3_3_1.o OFFSET_ccsdtq_lambda3_3_1.o ccsdtq_lambda3_3_2.o ccsdtq_lambda3_4.o ccsdtq_lambda3_5.o ccsdtq_lambda3_5_1.o OFFSET_ccsdtq_lambda3_5_1.o ccsdtq_lambda3_5_2.o ccsdtq_lambda3_5_2_1.o OFFSET_ccsdtq_lambda3_5_2_1.o ccsdtq_lambda3_5_2_2.o ccsdtq_lambda3_5_3.o ccsdtq_lambda3_5_4.o ccsdtq_lambda3_6.o ccsdtq_lambda3_6_1.o OFFSET_ccsdtq_lambda3_6_1.o ccsdtq_lambda3_6_2.o ccsdtq_lambda3_6_3.o ccsdtq_lambda3_6_4.o ccsdtq_lambda3_6_4_1.o OFFSET_ccsdtq_lambda3_6_4_1.o ccsdtq_lambda3_7.o ccsdtq_lambda3_7_1.o OFFSET_ccsdtq_lambda3_7_1.o ccsdtq_lambda3_7_2.o ccsdtq_lambda3_7_2_1.o OFFSET_ccsdtq_lambda3_7_2_1.o ccsdtq_lambda3_7_2_2.o ccsdtq_lambda3_7_3.o ccsdtq_lambda3_8.o ccsdtq_lambda3_8_1.o OFFSET_ccsdtq_lambda3_8_1.o ccsdtq_lambda3_8_2.o ccsdtq_lambda3_8_3.o ccsdtq_lambda3_8_4.o ccsdtq_lambda3_8_4_1.o OFFSET_ccsdtq_lambda3_8_4_1.o ccsdtq_lambda3_9.o ccsdtq_lambda3_10.o ccsdtq_lambda3_10_1.o OFFSET_ccsdtq_lambda3_10_1.o ccsdtq_lambda3_10_2.o ccsdtq_lambda3_10_2_1.o OFFSET_ccsdtq_lambda3_10_2_1.o ccsdtq_lambda3_10_2_2.o ccsdtq_lambda3_10_2_2_1.o OFFSET_ccsdtq_lambda3_10_2_2_1.o ccsdtq_lambda3_10_2_2_2.o ccsdtq_lambda3_10_2_3.o ccsdtq_lambda3_10_2_4.o ccsdtq_lambda3_10_3.o ccsdtq_lambda3_10_3_1.o OFFSET_ccsdtq_lambda3_10_3_1.o ccsdtq_lambda3_10_3_2.o ccsdtq_lambda3_10_3_3.o ccsdtq_lambda3_10_4.o ccsdtq_lambda3_10_5.o ccsdtq_lambda3_10_5_1.o OFFSET_ccsdtq_lambda3_10_5_1.o ccsdtq_lambda3_10_5_2.o ccsdtq_lambda3_10_6.o ccsdtq_lambda3_10_7.o ccsdtq_lambda3_10_8.o ccsdtq_lambda3_11.o ccsdtq_lambda3_11_1.o OFFSET_ccsdtq_lambda3_11_1.o ccsdtq_lambda3_11_2.o ccsdtq_lambda3_11_2_1.o OFFSET_ccsdtq_lambda3_11_2_1.o ccsdtq_lambda3_11_2_2.o ccsdtq_lambda3_11_2_2_1.o OFFSET_ccsdtq_lambda3_11_2_2_1.o ccsdtq_lambda3_11_2_2_2.o ccsdtq_lambda3_11_2_3.o ccsdtq_lambda3_11_3.o ccsdtq_lambda3_11_3_1.o OFFSET_ccsdtq_lambda3_11_3_1.o ccsdtq_lambda3_11_3_2.o ccsdtq_lambda3_11_4.o ccsdtq_lambda3_11_4_1.o OFFSET_ccsdtq_lambda3_11_4_1.o ccsdtq_lambda3_11_4_2.o ccsdtq_lambda3_11_5.o ccsdtq_lambda3_11_5_1.o OFFSET_ccsdtq_lambda3_11_5_1.o ccsdtq_lambda3_11_5_2.o ccsdtq_lambda3_11_6.o ccsdtq_lambda3_11_7.o ccsdtq_lambda3_12.o ccsdtq_lambda3_12_1.o OFFSET_ccsdtq_lambda3_12_1.o ccsdtq_lambda3_12_2.o ccsdtq_lambda3_12_3.o ccsdtq_lambda3_12_3_1.o OFFSET_ccsdtq_lambda3_12_3_1.o ccsdtq_lambda3_12_3_2.o ccsdtq_lambda3_12_4.o ccsdtq_lambda3_12_5.o ccsdtq_lambda3_12_6.o ccsdtq_lambda3_12_6_1.o OFFSET_ccsdtq_lambda3_12_6_1.o ccsdtq_lambda3_12_7.o ccsdtq_lambda3_12_7_1.o OFFSET_ccsdtq_lambda3_12_7_1.o ccsdtq_lambda3_13.o ccsdtq_lambda3_13_1.o OFFSET_ccsdtq_lambda3_13_1.o ccsdtq_lambda3_13_2.o ccsdtq_lambda3_13_3.o ccsdtq_lambda3_14.o ccsdtq_lambda3_14_1.o OFFSET_ccsdtq_lambda3_14_1.o ccsdtq_lambda3_14_2.o ccsdtq_lambda3_15.o ccsdtq_lambda3_15_1.o OFFSET_ccsdtq_lambda3_15_1.o ccsdtq_lambda3_15_2.o ccsdtq_lambda3_16.o ccsdtq_lambda3_16_1.o OFFSET_ccsdtq_lambda3_16_1.o ccsdtq_lambda3_16_2.o ccsdtq_lambda3_17.o ccsdtq_lambda3_17_1.o OFFSET_ccsdtq_lambda3_17_1.o ccsdtq_lambda3_18.o ccsdtq_lambda3_18_1.o OFFSET_ccsdtq_lambda3_18_1.o ccsdtq_lambda3_18_2.o ccsdtq_lambda3_19.o ccsdtq_lambda3_19_1.o OFFSET_ccsdtq_lambda3_19_1.o ccsdtq_lambda3_19_2.o ccsdtq_lambda3_19_3.o ccsdtq_lambda3_19_3_1.o OFFSET_ccsdtq_lambda3_19_3_1.o ccsdtq_lambda3_19_4.o ccsdtq_lambda3_19_4_1.o OFFSET_ccsdtq_lambda3_19_4_1.o ccsdtq_lambda3_20.o ccsdtq_lambda3_20_1.o OFFSET_ccsdtq_lambda3_20_1.o ccsdtq_lambda3_21.o ccsdtq_lambda3_21_1.o OFFSET_ccsdtq_lambda3_21_1.o ccsdtq_lambda3_22.o ccsdtq_lambda3_22_1.o OFFSET_ccsdtq_lambda3_22_1.o ccsdtq_lambda3_23.o ccsdtq_lambda3_23_1.o OFFSET_ccsdtq_lambda3_23_1.o ccsdtq_lambda3_24.o ccsdtq_lambda3_24_1.o OFFSET_ccsdtq_lambda3_24_1.o ccsdtq_lambda3_24_1_1.o OFFSET_ccsdtq_lambda3_24_1_1.o ccsdtq_lambda3_25.o ccsdtq_lambda3_25_1.o OFFSET_ccsdtq_lambda3_25_1.o ccsdtq_lambda3_25_1_1.o OFFSET_ccsdtq_lambda3_25_1_1.o ccsdtq_lambda3_26.o ccsdtq_lambda3_26_1.o OFFSET_ccsdtq_lambda3_26_1.o ccsdtq_lambda3_26_1_1.o OFFSET_ccsdtq_lambda3_26_1_1.o ccsdtq_lambda3_26_2.o ccsdtq_lambda3_26_2_1.o OFFSET_ccsdtq_lambda3_26_2_1.o ccsdtq_lambda3_27.o ccsdtq_lambda3_27_1.o OFFSET_ccsdtq_lambda3_27_1.o ccsdtq_lambda3_27_1_1.o OFFSET_ccsdtq_lambda3_27_1_1.o ccsdtq_lambda3_27_2.o ccsdtq_lambda3_27_2_1.o OFFSET_ccsdtq_lambda3_27_2_1.o ccsdtq_lambda3_27_2_1_1.o OFFSET_ccsdtq_lambda3_27_2_1_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' Making all in eomccsdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' Compiling eomccsdtq_x1.F... Compiling eomccsdtq_x2.F... Compiling eomccsdtq_x3.F... Compiling eomccsdtq_x4.F... Compiling eomccsdtq_y1.F... Compiling eomccsdtq_y2.F... Compiling eomccsdtq_y3.F... Compiling eomccsdtq_y4.F... Compiling eomccsdtq_density1.F... Compiling eomccsdtq_denominator.F... Compiling eomccsdtq_density1_1.F... Compiling eomccsdtq_density1_1_1.F... Compiling OFFSET_eomccsdtq_density1_1_1.F... Compiling eomccsdtq_density1_1_2.F... Compiling eomccsdtq_density1_1_3.F... Compiling eomccsdtq_density1_1_4.F... Compiling eomccsdtq_density1_2.F... Compiling eomccsdtq_density1_2_1.F... Compiling OFFSET_eomccsdtq_density1_2_1.F... Compiling eomccsdtq_density1_2_2.F... Compiling eomccsdtq_density1_2_2_1.F... Compiling OFFSET_eomccsdtq_density1_2_2_1.F... Compiling eomccsdtq_density1_3.F... Compiling eomccsdtq_density1_3_1.F... Compiling OFFSET_eomccsdtq_density1_3_1.F... Compiling eomccsdtq_density1_3_2.F... Compiling eomccsdtq_density1_3_3.F... Compiling eomccsdtq_density1_3_4.F... Compiling eomccsdtq_density1_3_5.F... Compiling eomccsdtq_density1_3_5_1.F... Compiling OFFSET_eomccsdtq_density1_3_5_1.F... Compiling eomccsdtq_density1_3_5_2.F... Compiling eomccsdtq_density1_3_5_3.F... Compiling eomccsdtq_density1_3_5_4.F... Compiling eomccsdtq_density1_3_6.F... Compiling eomccsdtq_density1_3_6_1.F... Compiling OFFSET_eomccsdtq_density1_3_6_1.F... Compiling eomccsdtq_density1_3_6_2.F... Compiling eomccsdtq_density1_3_6_3.F... Compiling eomccsdtq_density1_3_7.F... Compiling eomccsdtq_density1_3_7_1.F... Compiling OFFSET_eomccsdtq_density1_3_7_1.F... Compiling eomccsdtq_density1_3_7_2.F... Compiling eomccsdtq_density1_3_8.F... Compiling eomccsdtq_density1_3_8_1.F... Compiling OFFSET_eomccsdtq_density1_3_8_1.F... Compiling eomccsdtq_density1_4.F... Compiling eomccsdtq_density1_4_1.F... Compiling OFFSET_eomccsdtq_density1_4_1.F... Compiling eomccsdtq_density1_4_2.F... Compiling eomccsdtq_density1_4_2_1.F... Compiling OFFSET_eomccsdtq_density1_4_2_1.F... Compiling eomccsdtq_density1_5.F... Compiling eomccsdtq_density1_5_1.F... Compiling OFFSET_eomccsdtq_density1_5_1.F... Compiling eomccsdtq_density1_5_2.F... Compiling eomccsdtq_density1_5_3.F... Compiling eomccsdtq_density1_5_4.F... Compiling eomccsdtq_density1_5_4_1.F... Compiling OFFSET_eomccsdtq_density1_5_4_1.F... Compiling eomccsdtq_density1_5_4_2.F... Compiling eomccsdtq_density1_5_4_3.F... Compiling eomccsdtq_density1_5_4_4.F... Compiling eomccsdtq_density1_5_4_5.F... Compiling eomccsdtq_density1_5_4_5_1.F... Compiling OFFSET_eomccsdtq_density1_5_4_5_1.F... Compiling eomccsdtq_density1_5_4_5_2.F... Compiling eomccsdtq_density1_5_4_5_3.F... Compiling eomccsdtq_density1_5_4_5_4.F... Compiling eomccsdtq_density1_5_4_6.F... Compiling eomccsdtq_density1_5_4_6_1.F... Compiling OFFSET_eomccsdtq_density1_5_4_6_1.F... Compiling eomccsdtq_density1_5_4_6_2.F... Compiling eomccsdtq_density1_5_4_6_3.F... Compiling eomccsdtq_density1_5_4_7.F... Compiling eomccsdtq_density1_5_4_7_1.F... Compiling OFFSET_eomccsdtq_density1_5_4_7_1.F... Compiling eomccsdtq_density1_5_4_7_2.F... Compiling eomccsdtq_density1_5_4_8.F... Compiling eomccsdtq_density1_5_4_8_1.F... Compiling OFFSET_eomccsdtq_density1_5_4_8_1.F... Compiling eomccsdtq_density1_5_5.F... Compiling eomccsdtq_density1_5_5_1.F... Compiling OFFSET_eomccsdtq_density1_5_5_1.F... Compiling eomccsdtq_density1_5_5_2.F... Compiling eomccsdtq_density1_5_5_3.F... Compiling eomccsdtq_density1_5_5_4.F... Compiling eomccsdtq_density1_5_6.F... Compiling eomccsdtq_density1_5_6_1.F... Compiling OFFSET_eomccsdtq_density1_5_6_1.F... Compiling eomccsdtq_density1_5_6_2.F... Compiling eomccsdtq_density1_5_6_3.F... Compiling eomccsdtq_density1_5_6_4.F... Compiling eomccsdtq_density1_5_7.F... Compiling eomccsdtq_density1_5_7_1.F... Compiling OFFSET_eomccsdtq_density1_5_7_1.F... Compiling eomccsdtq_density1_5_7_2.F... Compiling eomccsdtq_density1_5_7_3.F... Compiling eomccsdtq_density1_5_8.F... Compiling eomccsdtq_density1_5_8_1.F... Compiling OFFSET_eomccsdtq_density1_5_8_1.F... Compiling eomccsdtq_density1_5_8_2.F... Compiling eomccsdtq_density1_5_9.F... Compiling eomccsdtq_density1_5_9_1.F... Compiling OFFSET_eomccsdtq_density1_5_9_1.F... Compiling eomccsdtq_density1_5_10.F... Compiling eomccsdtq_density1_5_10_1.F... Compiling OFFSET_eomccsdtq_density1_5_10_1.F... Compiling eomccsdtq_density1_5_10_2.F... Compiling eomccsdtq_density1_5_10_3.F... Compiling eomccsdtq_density1_5_10_4.F... Compiling eomccsdtq_density1_5_11.F... Compiling eomccsdtq_density1_5_11_1.F... Compiling OFFSET_eomccsdtq_density1_5_11_1.F... Compiling eomccsdtq_density1_5_11_2.F... Compiling eomccsdtq_density1_5_11_3.F... Compiling eomccsdtq_density1_5_11_4.F... Compiling eomccsdtq_density1_5_11_4_1.F... Compiling OFFSET_eomccsdtq_density1_5_11_4_1.F... Compiling eomccsdtq_density1_5_11_4_1_1.F... Compiling OFFSET_eomccsdtq_density1_5_11_4_1_1.F... Compiling eomccsdtq_density1_5_11_4_1_2.F... Compiling eomccsdtq_density1_5_12.F... 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Compiling eomccsdtq_y4_13.F... Compiling eomccsdtq_y4_13_1.F... Compiling OFFSET_eomccsdtq_y4_13_1.F... Compiling eomccsdtq_y4_14.F... Compiling eomccsdtq_y4_14_1.F... Compiling OFFSET_eomccsdtq_y4_14_1.F... Compiling eomccsdtq_y4_15.F... Compiling eomccsdtq_y4_15_1.F... Compiling OFFSET_eomccsdtq_y4_15_1.F... Compiling eomccsdtq_y4_15_2.F... Compiling eomccsdtq_y4_15_2_1.F... Compiling OFFSET_eomccsdtq_y4_15_2_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a eomccsdtq_x1.o eomccsdtq_x2.o eomccsdtq_x3.o eomccsdtq_x4.o eomccsdtq_y1.o eomccsdtq_y2.o eomccsdtq_y3.o eomccsdtq_y4.o eomccsdtq_density1.o eomccsdtq_denominator.o eomccsdtq_density1_1.o eomccsdtq_density1_1_1.o OFFSET_eomccsdtq_density1_1_1.o eomccsdtq_density1_1_2.o eomccsdtq_density1_1_3.o eomccsdtq_density1_1_4.o eomccsdtq_density1_2.o eomccsdtq_density1_2_1.o OFFSET_eomccsdtq_density1_2_1.o eomccsdtq_density1_2_2.o eomccsdtq_density1_2_2_1.o OFFSET_eomccsdtq_density1_2_2_1.o eomccsdtq_density1_3.o eomccsdtq_density1_3_1.o OFFSET_eomccsdtq_density1_3_1.o eomccsdtq_density1_3_2.o eomccsdtq_density1_3_3.o eomccsdtq_density1_3_4.o eomccsdtq_density1_3_5.o eomccsdtq_density1_3_5_1.o OFFSET_eomccsdtq_density1_3_5_1.o eomccsdtq_density1_3_5_2.o eomccsdtq_density1_3_5_3.o eomccsdtq_density1_3_5_4.o eomccsdtq_density1_3_6.o eomccsdtq_density1_3_6_1.o OFFSET_eomccsdtq_density1_3_6_1.o eomccsdtq_density1_3_6_2.o eomccsdtq_density1_3_6_3.o eomccsdtq_density1_3_7.o eomccsdtq_density1_3_7_1.o OFFSET_eomccsdtq_density1_3_7_1.o eomccsdtq_density1_3_7_2.o eomccsdtq_density1_3_8.o eomccsdtq_density1_3_8_1.o OFFSET_eomccsdtq_density1_3_8_1.o eomccsdtq_density1_4.o eomccsdtq_density1_4_1.o OFFSET_eomccsdtq_density1_4_1.o eomccsdtq_density1_4_2.o eomccsdtq_density1_4_2_1.o OFFSET_eomccsdtq_density1_4_2_1.o eomccsdtq_density1_5.o eomccsdtq_density1_5_1.o OFFSET_eomccsdtq_density1_5_1.o eomccsdtq_density1_5_2.o eomccsdtq_density1_5_3.o eomccsdtq_density1_5_4.o eomccsdtq_density1_5_4_1.o OFFSET_eomccsdtq_density1_5_4_1.o eomccsdtq_density1_5_4_2.o eomccsdtq_density1_5_4_3.o eomccsdtq_density1_5_4_4.o eomccsdtq_density1_5_4_5.o eomccsdtq_density1_5_4_5_1.o OFFSET_eomccsdtq_density1_5_4_5_1.o eomccsdtq_density1_5_4_5_2.o eomccsdtq_density1_5_4_5_3.o eomccsdtq_density1_5_4_5_4.o eomccsdtq_density1_5_4_6.o eomccsdtq_density1_5_4_6_1.o OFFSET_eomccsdtq_density1_5_4_6_1.o eomccsdtq_density1_5_4_6_2.o eomccsdtq_density1_5_4_6_3.o eomccsdtq_density1_5_4_7.o eomccsdtq_density1_5_4_7_1.o OFFSET_eomccsdtq_density1_5_4_7_1.o eomccsdtq_density1_5_4_7_2.o eomccsdtq_density1_5_4_8.o eomccsdtq_density1_5_4_8_1.o OFFSET_eomccsdtq_density1_5_4_8_1.o eomccsdtq_density1_5_5.o eomccsdtq_density1_5_5_1.o OFFSET_eomccsdtq_density1_5_5_1.o eomccsdtq_density1_5_5_2.o eomccsdtq_density1_5_5_3.o eomccsdtq_density1_5_5_4.o eomccsdtq_density1_5_6.o eomccsdtq_density1_5_6_1.o OFFSET_eomccsdtq_density1_5_6_1.o eomccsdtq_density1_5_6_2.o eomccsdtq_density1_5_6_3.o eomccsdtq_density1_5_6_4.o eomccsdtq_density1_5_7.o eomccsdtq_density1_5_7_1.o OFFSET_eomccsdtq_density1_5_7_1.o eomccsdtq_density1_5_7_2.o eomccsdtq_density1_5_7_3.o eomccsdtq_density1_5_8.o eomccsdtq_density1_5_8_1.o OFFSET_eomccsdtq_density1_5_8_1.o eomccsdtq_density1_5_8_2.o eomccsdtq_density1_5_9.o eomccsdtq_density1_5_9_1.o OFFSET_eomccsdtq_density1_5_9_1.o eomccsdtq_density1_5_10.o eomccsdtq_density1_5_10_1.o OFFSET_eomccsdtq_density1_5_10_1.o eomccsdtq_density1_5_10_2.o eomccsdtq_density1_5_10_3.o eomccsdtq_density1_5_10_4.o eomccsdtq_density1_5_11.o eomccsdtq_density1_5_11_1.o OFFSET_eomccsdtq_density1_5_11_1.o eomccsdtq_density1_5_11_2.o eomccsdtq_density1_5_11_3.o eomccsdtq_density1_5_11_4.o eomccsdtq_density1_5_11_4_1.o OFFSET_eomccsdtq_density1_5_11_4_1.o eomccsdtq_density1_5_11_4_1_1.o OFFSET_eomccsdtq_density1_5_11_4_1_1.o eomccsdtq_density1_5_11_4_1_2.o eomccsdtq_density1_5_12.o eomccsdtq_density1_5_12_1.o OFFSET_eomccsdtq_density1_5_12_1.o eomccsdtq_density1_5_12_2.o eomccsdtq_density1_5_12_3.o eomccsdtq_density1_5_12_3_1.o OFFSET_eomccsdtq_density1_5_12_3_1.o eomccsdtq_density1_5_12_3_2.o eomccsdtq_density1_5_12_3_2_1.o OFFSET_eomccsdtq_density1_5_12_3_2_1.o eomccsdtq_density1_5_12_3_2_2.o eomccsdtq_density1_5_12_3_3.o eomccsdtq_density1_5_12_4.o eomccsdtq_density1_5_12_4_1.o OFFSET_eomccsdtq_density1_5_12_4_1.o eomccsdtq_density1_5_12_4_2.o eomccsdtq_density1_5_12_5.o eomccsdtq_density1_5_12_5_1.o OFFSET_eomccsdtq_density1_5_12_5_1.o eomccsdtq_density1_5_13.o eomccsdtq_density1_5_13_1.o OFFSET_eomccsdtq_density1_5_13_1.o eomccsdtq_density1_5_13_2.o eomccsdtq_density1_5_14.o eomccsdtq_density1_5_14_1.o OFFSET_eomccsdtq_density1_5_14_1.o eomccsdtq_density1_5_14_2.o eomccsdtq_density1_5_15.o eomccsdtq_density1_5_15_1.o OFFSET_eomccsdtq_density1_5_15_1.o eomccsdtq_density1_5_16.o eomccsdtq_density1_5_16_1.o OFFSET_eomccsdtq_density1_5_16_1.o eomccsdtq_density1_5_17.o eomccsdtq_density1_5_17_1.o OFFSET_eomccsdtq_density1_5_17_1.o eomccsdtq_density1_5_17_1_1.o OFFSET_eomccsdtq_density1_5_17_1_1.o eomccsdtq_density1_5_17_1_2.o eomccsdtq_density1_5_17_2.o eomccsdtq_density1_5_17_2_1.o OFFSET_eomccsdtq_density1_5_17_2_1.o eomccsdtq_density1_6.o eomccsdtq_density1_6_1.o OFFSET_eomccsdtq_density1_6_1.o eomccsdtq_density1_6_2.o eomccsdtq_density1_6_3.o eomccsdtq_density1_6_4.o eomccsdtq_density1_6_4_1.o OFFSET_eomccsdtq_density1_6_4_1.o eomccsdtq_density1_6_4_2.o eomccsdtq_density1_6_4_3.o eomccsdtq_density1_6_5.o eomccsdtq_density1_6_5_1.o OFFSET_eomccsdtq_density1_6_5_1.o eomccsdtq_density1_6_5_2.o eomccsdtq_density1_6_5_3.o eomccsdtq_density1_6_6.o eomccsdtq_density1_6_6_1.o OFFSET_eomccsdtq_density1_6_6_1.o eomccsdtq_density1_6_6_2.o eomccsdtq_density1_6_7.o eomccsdtq_density1_6_7_1.o OFFSET_eomccsdtq_density1_6_7_1.o eomccsdtq_x2_1.o eomccsdtq_x2_1_1.o OFFSET_eomccsdtq_x2_1_1.o eomccsdtq_x2_1_2.o eomccsdtq_x2_1_2_1.o OFFSET_eomccsdtq_x2_1_2_1.o eomccsdtq_x2_1_2_2.o eomccsdtq_x2_1_3.o eomccsdtq_x2_1_3_1.o OFFSET_eomccsdtq_x2_1_3_1.o eomccsdtq_x2_1_3_2.o eomccsdtq_x2_1_4.o eomccsdtq_x2_1_4_1.o OFFSET_eomccsdtq_x2_1_4_1.o eomccsdtq_x2_1_4_2.o eomccsdtq_x2_1_5.o eomccsdtq_x2_1_6.o eomccsdtq_x2_2.o eomccsdtq_x2_3.o eomccsdtq_x2_3_1.o OFFSET_eomccsdtq_x2_3_1.o eomccsdtq_x2_3_2.o eomccsdtq_x2_3_2_1.o OFFSET_eomccsdtq_x2_3_2_1.o eomccsdtq_x2_3_2_2.o eomccsdtq_x2_3_3.o eomccsdtq_x2_3_4.o eomccsdtq_x2_4.o eomccsdtq_x2_4_1.o OFFSET_eomccsdtq_x2_4_1.o eomccsdtq_x2_4_2.o eomccsdtq_x2_4_3.o eomccsdtq_x2_5.o eomccsdtq_x2_5_1.o OFFSET_eomccsdtq_x2_5_1.o eomccsdtq_x2_5_2.o eomccsdtq_x2_5_2_1.o OFFSET_eomccsdtq_x2_5_2_1.o eomccsdtq_x2_5_2_2.o eomccsdtq_x2_5_3.o eomccsdtq_x2_6.o eomccsdtq_x2_6_1.o OFFSET_eomccsdtq_x2_6_1.o eomccsdtq_x2_6_2.o eomccsdtq_x2_7.o eomccsdtq_x2_8.o eomccsdtq_x2_8_1.o OFFSET_eomccsdtq_x2_8_1.o eomccsdtq_x2_8_2.o eomccsdtq_x2_9.o eomccsdtq_x2_9_1.o OFFSET_eomccsdtq_x2_9_1.o eomccsdtq_x2_9_2.o eomccsdtq_x2_10.o eomccsdtq_x2_11.o eomccsdtq_x2_12.o eomccsdtq_x2_12_1.o OFFSET_eomccsdtq_x2_12_1.o eomccsdtq_x2_12_1_1.o OFFSET_eomccsdtq_x2_12_1_1.o eomccsdtq_x2_12_1_2.o eomccsdtq_x2_12_1_2_1.o OFFSET_eomccsdtq_x2_12_1_2_1.o eomccsdtq_x2_12_1_2_2.o eomccsdtq_x2_12_1_3.o eomccsdtq_x2_12_2.o eomccsdtq_x2_12_3.o eomccsdtq_x2_12_3_1.o OFFSET_eomccsdtq_x2_12_3_1.o eomccsdtq_x2_12_3_2.o eomccsdtq_x2_12_4.o eomccsdtq_x2_12_4_1.o OFFSET_eomccsdtq_x2_12_4_1.o eomccsdtq_x2_12_4_2.o eomccsdtq_x2_12_5.o eomccsdtq_x2_12_6.o eomccsdtq_x2_12_7.o eomccsdtq_x2_12_7_1.o OFFSET_eomccsdtq_x2_12_7_1.o eomccsdtq_x2_12_7_2.o eomccsdtq_x2_12_7_3.o eomccsdtq_x2_12_7_3_1.o OFFSET_eomccsdtq_x2_12_7_3_1.o eomccsdtq_x2_12_8.o eomccsdtq_x2_12_8_1.o OFFSET_eomccsdtq_x2_12_8_1.o eomccsdtq_x2_12_9.o eomccsdtq_x2_12_9_1.o OFFSET_eomccsdtq_x2_12_9_1.o eomccsdtq_x2_12_10.o eomccsdtq_x2_12_10_1.o OFFSET_eomccsdtq_x2_12_10_1.o eomccsdtq_x2_13.o eomccsdtq_x2_13_1.o OFFSET_eomccsdtq_x2_13_1.o eomccsdtq_x2_14.o eomccsdtq_x2_14_1.o OFFSET_eomccsdtq_x2_14_1.o eomccsdtq_x2_14_1_1.o OFFSET_eomccsdtq_x2_14_1_1.o eomccsdtq_x2_14_1_2.o eomccsdtq_x2_14_2.o eomccsdtq_x2_14_3.o eomccsdtq_x2_14_4.o eomccsdtq_x2_14_4_1.o OFFSET_eomccsdtq_x2_14_4_1.o eomccsdtq_x2_15.o eomccsdtq_x2_15_1.o OFFSET_eomccsdtq_x2_15_1.o eomccsdtq_x2_15_2.o eomccsdtq_x2_15_3.o eomccsdtq_x2_15_3_1.o OFFSET_eomccsdtq_x2_15_3_1.o eomccsdtq_x2_16.o eomccsdtq_x2_16_1.o OFFSET_eomccsdtq_x2_16_1.o eomccsdtq_x2_16_2.o eomccsdtq_x2_17.o eomccsdtq_x2_17_1.o OFFSET_eomccsdtq_x2_17_1.o eomccsdtq_x2_17_2.o eomccsdtq_x2_18.o eomccsdtq_x2_18_1.o OFFSET_eomccsdtq_x2_18_1.o eomccsdtq_x2_19.o eomccsdtq_x2_19_1.o OFFSET_eomccsdtq_x2_19_1.o eomccsdtq_x3_1.o eomccsdtq_x3_1_1.o OFFSET_eomccsdtq_x3_1_1.o eomccsdtq_x3_1_2.o eomccsdtq_x3_1_2_1.o OFFSET_eomccsdtq_x3_1_2_1.o eomccsdtq_x3_1_2_2.o eomccsdtq_x3_1_2_2_1.o OFFSET_eomccsdtq_x3_1_2_2_1.o eomccsdtq_x3_1_2_2_2.o eomccsdtq_x3_1_2_3.o eomccsdtq_x3_1_3.o eomccsdtq_x3_1_3_1.o OFFSET_eomccsdtq_x3_1_3_1.o eomccsdtq_x3_1_3_2.o eomccsdtq_x3_1_4.o eomccsdtq_x3_1_4_1.o OFFSET_eomccsdtq_x3_1_4_1.o eomccsdtq_x3_1_4_2.o eomccsdtq_x3_1_5.o eomccsdtq_x3_1_5_1.o OFFSET_eomccsdtq_x3_1_5_1.o eomccsdtq_x3_1_5_2.o eomccsdtq_x3_1_6.o eomccsdtq_x3_1_7.o eomccsdtq_x3_2.o eomccsdtq_x3_2_1.o OFFSET_eomccsdtq_x3_2_1.o eomccsdtq_x3_2_2.o eomccsdtq_x3_2_3.o eomccsdtq_x3_2_3_1.o OFFSET_eomccsdtq_x3_2_3_1.o eomccsdtq_x3_2_3_2.o eomccsdtq_x3_2_4.o eomccsdtq_x3_2_5.o eomccsdtq_x3_3.o eomccsdtq_x3_3_1.o OFFSET_eomccsdtq_x3_3_1.o eomccsdtq_x3_3_2.o eomccsdtq_x3_3_2_1.o OFFSET_eomccsdtq_x3_3_2_1.o eomccsdtq_x3_3_2_2.o eomccsdtq_x3_3_3.o eomccsdtq_x3_3_4.o eomccsdtq_x3_4.o eomccsdtq_x3_4_1.o OFFSET_eomccsdtq_x3_4_1.o eomccsdtq_x3_4_2.o eomccsdtq_x3_4_3.o eomccsdtq_x3_5.o eomccsdtq_x3_5_1.o OFFSET_eomccsdtq_x3_5_1.o eomccsdtq_x3_5_2.o eomccsdtq_x3_5_2_1.o OFFSET_eomccsdtq_x3_5_2_1.o eomccsdtq_x3_5_2_2.o eomccsdtq_x3_5_3.o eomccsdtq_x3_6.o eomccsdtq_x3_6_1.o OFFSET_eomccsdtq_x3_6_1.o eomccsdtq_x3_6_2.o eomccsdtq_x3_6_3.o eomccsdtq_x3_7.o eomccsdtq_x3_8.o eomccsdtq_x3_8_1.o OFFSET_eomccsdtq_x3_8_1.o eomccsdtq_x3_8_2.o eomccsdtq_x3_9.o eomccsdtq_x3_9_1.o OFFSET_eomccsdtq_x3_9_1.o eomccsdtq_x3_9_2.o eomccsdtq_x3_10.o eomccsdtq_x3_11.o eomccsdtq_x3_11_1.o OFFSET_eomccsdtq_x3_11_1.o eomccsdtq_x3_11_1_1.o OFFSET_eomccsdtq_x3_11_1_1.o eomccsdtq_x3_11_1_2.o eomccsdtq_x3_11_1_2_1.o OFFSET_eomccsdtq_x3_11_1_2_1.o eomccsdtq_x3_11_1_2_2.o eomccsdtq_x3_11_1_3.o eomccsdtq_x3_11_1_4.o eomccsdtq_x3_11_2.o eomccsdtq_x3_11_2_1.o OFFSET_eomccsdtq_x3_11_2_1.o eomccsdtq_x3_11_2_2.o eomccsdtq_x3_11_3.o eomccsdtq_x3_11_3_1.o OFFSET_eomccsdtq_x3_11_3_1.o eomccsdtq_x3_11_3_2.o eomccsdtq_x3_11_4.o eomccsdtq_x3_11_5.o eomccsdtq_x3_11_6.o eomccsdtq_x3_11_6_1.o OFFSET_eomccsdtq_x3_11_6_1.o eomccsdtq_x3_11_7.o eomccsdtq_x3_11_7_1.o OFFSET_eomccsdtq_x3_11_7_1.o eomccsdtq_x3_11_7_2.o eomccsdtq_x3_11_7_3.o eomccsdtq_x3_11_7_3_1.o OFFSET_eomccsdtq_x3_11_7_3_1.o eomccsdtq_x3_11_7_4.o eomccsdtq_x3_11_7_4_1.o OFFSET_eomccsdtq_x3_11_7_4_1.o eomccsdtq_x3_11_8.o eomccsdtq_x3_11_8_1.o OFFSET_eomccsdtq_x3_11_8_1.o eomccsdtq_x3_11_9.o eomccsdtq_x3_11_9_1.o OFFSET_eomccsdtq_x3_11_9_1.o eomccsdtq_x3_11_10.o eomccsdtq_x3_11_10_1.o OFFSET_eomccsdtq_x3_11_10_1.o eomccsdtq_x3_12.o eomccsdtq_x3_12_1.o OFFSET_eomccsdtq_x3_12_1.o eomccsdtq_x3_12_1_1.o OFFSET_eomccsdtq_x3_12_1_1.o eomccsdtq_x3_12_1_2.o eomccsdtq_x3_12_1_2_1.o OFFSET_eomccsdtq_x3_12_1_2_1.o eomccsdtq_x3_12_1_2_2.o eomccsdtq_x3_12_1_3.o eomccsdtq_x3_12_2.o eomccsdtq_x3_12_3.o eomccsdtq_x3_12_3_1.o OFFSET_eomccsdtq_x3_12_3_1.o eomccsdtq_x3_12_3_2.o eomccsdtq_x3_12_4.o eomccsdtq_x3_12_4_1.o OFFSET_eomccsdtq_x3_12_4_1.o eomccsdtq_x3_12_4_2.o eomccsdtq_x3_12_5.o eomccsdtq_x3_12_6.o eomccsdtq_x3_12_7.o eomccsdtq_x3_12_7_1.o OFFSET_eomccsdtq_x3_12_7_1.o eomccsdtq_x3_12_7_2.o eomccsdtq_x3_12_7_3.o eomccsdtq_x3_12_7_3_1.o OFFSET_eomccsdtq_x3_12_7_3_1.o eomccsdtq_x3_12_8.o eomccsdtq_x3_12_8_1.o OFFSET_eomccsdtq_x3_12_8_1.o eomccsdtq_x3_12_9.o eomccsdtq_x3_12_9_1.o OFFSET_eomccsdtq_x3_12_9_1.o eomccsdtq_x3_12_10.o eomccsdtq_x3_12_10_1.o OFFSET_eomccsdtq_x3_12_10_1.o eomccsdtq_x3_13.o eomccsdtq_x3_13_1.o OFFSET_eomccsdtq_x3_13_1.o eomccsdtq_x3_13_1_1.o OFFSET_eomccsdtq_x3_13_1_1.o eomccsdtq_x3_13_1_2.o eomccsdtq_x3_13_1_3.o eomccsdtq_x3_13_1_4.o eomccsdtq_x3_13_2.o eomccsdtq_x3_13_2_1.o OFFSET_eomccsdtq_x3_13_2_1.o eomccsdtq_x3_13_2_2.o eomccsdtq_x3_13_3.o eomccsdtq_x3_13_3_1.o OFFSET_eomccsdtq_x3_13_3_1.o eomccsdtq_x3_13_3_2.o eomccsdtq_x3_13_4.o eomccsdtq_x3_13_5.o eomccsdtq_x3_14.o eomccsdtq_x3_14_1.o OFFSET_eomccsdtq_x3_14_1.o eomccsdtq_x3_14_2.o eomccsdtq_x3_14_2_1.o OFFSET_eomccsdtq_x3_14_2_1.o eomccsdtq_x3_14_2_2.o eomccsdtq_x3_14_3.o eomccsdtq_x3_14_4.o eomccsdtq_x3_14_5.o eomccsdtq_x3_14_5_1.o OFFSET_eomccsdtq_x3_14_5_1.o eomccsdtq_x3_15.o eomccsdtq_x3_15_1.o OFFSET_eomccsdtq_x3_15_1.o eomccsdtq_x3_16.o eomccsdtq_x3_16_1.o OFFSET_eomccsdtq_x3_16_1.o eomccsdtq_x3_16_1_1.o OFFSET_eomccsdtq_x3_16_1_1.o eomccsdtq_x3_16_1_2.o eomccsdtq_x3_16_2.o eomccsdtq_x3_16_3.o eomccsdtq_x3_16_4.o eomccsdtq_x3_16_4_1.o OFFSET_eomccsdtq_x3_16_4_1.o eomccsdtq_x3_17.o eomccsdtq_x3_17_1.o OFFSET_eomccsdtq_x3_17_1.o eomccsdtq_x3_17_2.o eomccsdtq_x3_17_3.o eomccsdtq_x3_17_3_1.o OFFSET_eomccsdtq_x3_17_3_1.o eomccsdtq_x3_18.o eomccsdtq_x3_18_1.o OFFSET_eomccsdtq_x3_18_1.o eomccsdtq_x3_18_2.o eomccsdtq_x3_19.o eomccsdtq_x3_19_1.o OFFSET_eomccsdtq_x3_19_1.o eomccsdtq_x3_19_2.o eomccsdtq_x3_20.o eomccsdtq_x3_20_1.o OFFSET_eomccsdtq_x3_20_1.o eomccsdtq_x3_21.o eomccsdtq_x3_21_1.o OFFSET_eomccsdtq_x3_21_1.o eomccsdtq_x3_22.o eomccsdtq_x3_22_1.o OFFSET_eomccsdtq_x3_22_1.o eomccsdtq_x4_1.o eomccsdtq_x4_1_1.o OFFSET_eomccsdtq_x4_1_1.o eomccsdtq_x4_1_2.o eomccsdtq_x4_1_2_1.o OFFSET_eomccsdtq_x4_1_2_1.o eomccsdtq_x4_1_2_2.o eomccsdtq_x4_1_2_2_1.o OFFSET_eomccsdtq_x4_1_2_2_1.o eomccsdtq_x4_1_2_2_2.o eomccsdtq_x4_1_2_3.o eomccsdtq_x4_1_3.o eomccsdtq_x4_1_3_1.o OFFSET_eomccsdtq_x4_1_3_1.o eomccsdtq_x4_1_3_2.o eomccsdtq_x4_1_4.o eomccsdtq_x4_1_4_1.o OFFSET_eomccsdtq_x4_1_4_1.o eomccsdtq_x4_1_4_2.o eomccsdtq_x4_1_5.o eomccsdtq_x4_1_5_1.o OFFSET_eomccsdtq_x4_1_5_1.o eomccsdtq_x4_1_5_2.o eomccsdtq_x4_1_6.o eomccsdtq_x4_1_7.o eomccsdtq_x4_2.o eomccsdtq_x4_2_1.o OFFSET_eomccsdtq_x4_2_1.o eomccsdtq_x4_2_2.o eomccsdtq_x4_2_3.o eomccsdtq_x4_2_3_1.o OFFSET_eomccsdtq_x4_2_3_1.o eomccsdtq_x4_2_3_2.o eomccsdtq_x4_2_4.o eomccsdtq_x4_2_5.o eomccsdtq_x4_3.o eomccsdtq_x4_3_1.o OFFSET_eomccsdtq_x4_3_1.o eomccsdtq_x4_3_2.o eomccsdtq_x4_3_2_1.o OFFSET_eomccsdtq_x4_3_2_1.o eomccsdtq_x4_3_2_2.o eomccsdtq_x4_3_3.o eomccsdtq_x4_3_4.o eomccsdtq_x4_4.o eomccsdtq_x4_4_1.o OFFSET_eomccsdtq_x4_4_1.o eomccsdtq_x4_4_2.o eomccsdtq_x4_4_3.o eomccsdtq_x4_5.o eomccsdtq_x4_5_1.o OFFSET_eomccsdtq_x4_5_1.o eomccsdtq_x4_5_2.o eomccsdtq_x4_5_2_1.o OFFSET_eomccsdtq_x4_5_2_1.o eomccsdtq_x4_5_2_2.o eomccsdtq_x4_5_3.o eomccsdtq_x4_6.o eomccsdtq_x4_6_1.o OFFSET_eomccsdtq_x4_6_1.o eomccsdtq_x4_6_2.o eomccsdtq_x4_6_3.o eomccsdtq_x4_7.o eomccsdtq_x4_8.o eomccsdtq_x4_8_1.o OFFSET_eomccsdtq_x4_8_1.o eomccsdtq_x4_8_1_1.o OFFSET_eomccsdtq_x4_8_1_1.o eomccsdtq_x4_8_1_2.o eomccsdtq_x4_8_1_2_1.o OFFSET_eomccsdtq_x4_8_1_2_1.o eomccsdtq_x4_8_1_2_2.o eomccsdtq_x4_8_1_3.o eomccsdtq_x4_8_1_4.o eomccsdtq_x4_8_2.o eomccsdtq_x4_8_2_1.o OFFSET_eomccsdtq_x4_8_2_1.o eomccsdtq_x4_8_2_2.o eomccsdtq_x4_8_3.o eomccsdtq_x4_8_3_1.o OFFSET_eomccsdtq_x4_8_3_1.o eomccsdtq_x4_8_3_2.o eomccsdtq_x4_8_4.o eomccsdtq_x4_8_5.o eomccsdtq_x4_8_5_1.o OFFSET_eomccsdtq_x4_8_5_1.o eomccsdtq_x4_8_6.o eomccsdtq_x4_8_6_1.o OFFSET_eomccsdtq_x4_8_6_1.o eomccsdtq_x4_8_6_1_1.o OFFSET_eomccsdtq_x4_8_6_1_1.o eomccsdtq_x4_8_6_1_2.o eomccsdtq_x4_8_6_2.o eomccsdtq_x4_8_7.o eomccsdtq_x4_8_7_1.o OFFSET_eomccsdtq_x4_8_7_1.o eomccsdtq_x4_8_7_2.o eomccsdtq_x4_8_7_3.o eomccsdtq_x4_8_7_3_1.o OFFSET_eomccsdtq_x4_8_7_3_1.o eomccsdtq_x4_8_7_4.o eomccsdtq_x4_8_7_4_1.o OFFSET_eomccsdtq_x4_8_7_4_1.o eomccsdtq_x4_8_8.o eomccsdtq_x4_8_8_1.o OFFSET_eomccsdtq_x4_8_8_1.o eomccsdtq_x4_8_9.o eomccsdtq_x4_8_9_1.o OFFSET_eomccsdtq_x4_8_9_1.o eomccsdtq_x4_8_10.o eomccsdtq_x4_8_10_1.o OFFSET_eomccsdtq_x4_8_10_1.o eomccsdtq_x4_8_11.o eomccsdtq_x4_8_11_1.o OFFSET_eomccsdtq_x4_8_11_1.o eomccsdtq_x4_9.o eomccsdtq_x4_9_1.o OFFSET_eomccsdtq_x4_9_1.o eomccsdtq_x4_9_1_1.o OFFSET_eomccsdtq_x4_9_1_1.o eomccsdtq_x4_9_1_2.o eomccsdtq_x4_9_1_2_1.o OFFSET_eomccsdtq_x4_9_1_2_1.o eomccsdtq_x4_9_1_2_2.o eomccsdtq_x4_9_1_3.o eomccsdtq_x4_9_2.o eomccsdtq_x4_9_2_1.o OFFSET_eomccsdtq_x4_9_2_1.o eomccsdtq_x4_9_2_2.o eomccsdtq_x4_9_2_2_1.o OFFSET_eomccsdtq_x4_9_2_2_1.o eomccsdtq_x4_9_2_2_2.o eomccsdtq_x4_9_2_3.o eomccsdtq_x4_9_2_4.o eomccsdtq_x4_9_3.o eomccsdtq_x4_9_3_1.o OFFSET_eomccsdtq_x4_9_3_1.o eomccsdtq_x4_9_3_2.o eomccsdtq_x4_9_4.o eomccsdtq_x4_9_4_1.o OFFSET_eomccsdtq_x4_9_4_1.o eomccsdtq_x4_9_4_2.o eomccsdtq_x4_9_5.o eomccsdtq_x4_9_5_1.o OFFSET_eomccsdtq_x4_9_5_1.o eomccsdtq_x4_9_5_2.o eomccsdtq_x4_9_6.o eomccsdtq_x4_9_7.o eomccsdtq_x4_9_7_1.o OFFSET_eomccsdtq_x4_9_7_1.o eomccsdtq_x4_9_7_1_1.o OFFSET_eomccsdtq_x4_9_7_1_1.o eomccsdtq_x4_9_7_1_2.o eomccsdtq_x4_9_7_2.o eomccsdtq_x4_9_7_3.o eomccsdtq_x4_9_7_4.o eomccsdtq_x4_9_7_4_1.o OFFSET_eomccsdtq_x4_9_7_4_1.o eomccsdtq_x4_9_8.o eomccsdtq_x4_9_8_1.o OFFSET_eomccsdtq_x4_9_8_1.o eomccsdtq_x4_9_8_2.o eomccsdtq_x4_9_8_3.o eomccsdtq_x4_9_8_3_1.o OFFSET_eomccsdtq_x4_9_8_3_1.o eomccsdtq_x4_9_9.o eomccsdtq_x4_9_9_1.o OFFSET_eomccsdtq_x4_9_9_1.o eomccsdtq_x4_9_10.o eomccsdtq_x4_9_10_1.o OFFSET_eomccsdtq_x4_9_10_1.o eomccsdtq_x4_9_11.o eomccsdtq_x4_9_11_1.o OFFSET_eomccsdtq_x4_9_11_1.o eomccsdtq_x4_10.o eomccsdtq_x4_10_1.o OFFSET_eomccsdtq_x4_10_1.o eomccsdtq_x4_10_1_1.o OFFSET_eomccsdtq_x4_10_1_1.o eomccsdtq_x4_10_1_2.o eomccsdtq_x4_10_1_2_1.o OFFSET_eomccsdtq_x4_10_1_2_1.o eomccsdtq_x4_10_1_2_2.o eomccsdtq_x4_10_1_3.o eomccsdtq_x4_10_1_4.o eomccsdtq_x4_10_2.o eomccsdtq_x4_10_2_1.o OFFSET_eomccsdtq_x4_10_2_1.o eomccsdtq_x4_10_2_2.o eomccsdtq_x4_10_3.o eomccsdtq_x4_10_3_1.o OFFSET_eomccsdtq_x4_10_3_1.o eomccsdtq_x4_10_3_2.o eomccsdtq_x4_10_4.o eomccsdtq_x4_10_4_1.o OFFSET_eomccsdtq_x4_10_4_1.o eomccsdtq_x4_10_4_2.o eomccsdtq_x4_10_5.o eomccsdtq_x4_11.o eomccsdtq_x4_11_1.o OFFSET_eomccsdtq_x4_11_1.o eomccsdtq_x4_11_1_1.o OFFSET_eomccsdtq_x4_11_1_1.o eomccsdtq_x4_11_1_2.o eomccsdtq_x4_11_2.o eomccsdtq_x4_11_2_1.o OFFSET_eomccsdtq_x4_11_2_1.o eomccsdtq_x4_11_2_2.o eomccsdtq_x4_11_3.o eomccsdtq_x4_11_4.o eomccsdtq_x4_11_5.o eomccsdtq_x4_11_5_1.o OFFSET_eomccsdtq_x4_11_5_1.o eomccsdtq_x4_11_6.o eomccsdtq_x4_11_6_1.o OFFSET_eomccsdtq_x4_11_6_1.o eomccsdtq_x4_12.o eomccsdtq_x4_12_1.o OFFSET_eomccsdtq_x4_12_1.o eomccsdtq_x4_13.o eomccsdtq_x4_13_1.o OFFSET_eomccsdtq_x4_13_1.o eomccsdtq_x4_13_1_1.o OFFSET_eomccsdtq_x4_13_1_1.o eomccsdtq_x4_13_1_2.o eomccsdtq_x4_13_1_2_1.o OFFSET_eomccsdtq_x4_13_1_2_1.o eomccsdtq_x4_13_1_2_2.o eomccsdtq_x4_13_1_3.o eomccsdtq_x4_13_2.o eomccsdtq_x4_13_3.o eomccsdtq_x4_13_3_1.o OFFSET_eomccsdtq_x4_13_3_1.o eomccsdtq_x4_13_3_2.o eomccsdtq_x4_13_4.o eomccsdtq_x4_13_4_1.o OFFSET_eomccsdtq_x4_13_4_1.o eomccsdtq_x4_13_4_2.o eomccsdtq_x4_13_5.o eomccsdtq_x4_13_6.o eomccsdtq_x4_13_7.o eomccsdtq_x4_13_7_1.o OFFSET_eomccsdtq_x4_13_7_1.o eomccsdtq_x4_13_7_2.o eomccsdtq_x4_13_7_3.o eomccsdtq_x4_13_7_3_1.o OFFSET_eomccsdtq_x4_13_7_3_1.o eomccsdtq_x4_13_8.o eomccsdtq_x4_13_8_1.o OFFSET_eomccsdtq_x4_13_8_1.o eomccsdtq_x4_13_9.o eomccsdtq_x4_13_9_1.o OFFSET_eomccsdtq_x4_13_9_1.o eomccsdtq_x4_13_10.o eomccsdtq_x4_13_10_1.o OFFSET_eomccsdtq_x4_13_10_1.o eomccsdtq_x4_14.o eomccsdtq_x4_14_1.o OFFSET_eomccsdtq_x4_14_1.o eomccsdtq_x4_14_1_1.o OFFSET_eomccsdtq_x4_14_1_1.o eomccsdtq_x4_14_1_2.o eomccsdtq_x4_14_1_3.o eomccsdtq_x4_14_1_4.o eomccsdtq_x4_14_2.o eomccsdtq_x4_14_2_1.o OFFSET_eomccsdtq_x4_14_2_1.o eomccsdtq_x4_14_2_2.o eomccsdtq_x4_14_3.o eomccsdtq_x4_14_3_1.o OFFSET_eomccsdtq_x4_14_3_1.o eomccsdtq_x4_14_3_2.o eomccsdtq_x4_14_4.o eomccsdtq_x4_14_5.o eomccsdtq_x4_14_5_1.o OFFSET_eomccsdtq_x4_14_5_1.o eomccsdtq_x4_14_5_1_1.o OFFSET_eomccsdtq_x4_14_5_1_1.o eomccsdtq_x4_14_5_1_2.o eomccsdtq_x4_14_5_2.o eomccsdtq_x4_15.o eomccsdtq_x4_15_1.o OFFSET_eomccsdtq_x4_15_1.o eomccsdtq_x4_15_2.o eomccsdtq_x4_15_2_1.o OFFSET_eomccsdtq_x4_15_2_1.o eomccsdtq_x4_15_2_2.o eomccsdtq_x4_15_3.o eomccsdtq_x4_15_4.o eomccsdtq_x4_15_5.o eomccsdtq_x4_15_5_1.o OFFSET_eomccsdtq_x4_15_5_1.o eomccsdtq_x4_16.o eomccsdtq_x4_16_1.o OFFSET_eomccsdtq_x4_16_1.o eomccsdtq_x4_16_1_1.o OFFSET_eomccsdtq_x4_16_1_1.o eomccsdtq_x4_16_1_2.o eomccsdtq_x4_16_2.o eomccsdtq_x4_16_3.o eomccsdtq_x4_17.o eomccsdtq_x4_17_1.o OFFSET_eomccsdtq_x4_17_1.o eomccsdtq_x4_18.o eomccsdtq_x4_18_1.o OFFSET_eomccsdtq_x4_18_1.o eomccsdtq_x4_19.o eomccsdtq_x4_19_1.o OFFSET_eomccsdtq_x4_19_1.o eomccsdtq_x4_20.o eomccsdtq_x4_20_1.o OFFSET_eomccsdtq_x4_20_1.o eomccsdtq_x4_20_1_1.o OFFSET_eomccsdtq_x4_20_1_1.o eomccsdtq_x4_20_1_2.o eomccsdtq_x4_20_2.o eomccsdtq_x4_20_3.o eomccsdtq_x4_20_4.o eomccsdtq_x4_20_4_1.o OFFSET_eomccsdtq_x4_20_4_1.o eomccsdtq_x4_21.o eomccsdtq_x4_21_1.o OFFSET_eomccsdtq_x4_21_1.o eomccsdtq_x4_21_2.o eomccsdtq_x4_21_3.o eomccsdtq_x4_21_3_1.o OFFSET_eomccsdtq_x4_21_3_1.o eomccsdtq_x4_22.o eomccsdtq_x4_22_1.o OFFSET_eomccsdtq_x4_22_1.o eomccsdtq_x4_22_2.o eomccsdtq_x4_23.o eomccsdtq_x4_23_1.o OFFSET_eomccsdtq_x4_23_1.o eomccsdtq_x4_23_2.o eomccsdtq_x4_24.o eomccsdtq_x4_24_1.o OFFSET_eomccsdtq_x4_24_1.o eomccsdtq_y1_1.o eomccsdtq_y1_1_1.o OFFSET_eomccsdtq_y1_1_1.o eomccsdtq_y1_1_2.o eomccsdtq_y1_1_2_1.o OFFSET_eomccsdtq_y1_1_2_1.o eomccsdtq_y1_1_2_2.o eomccsdtq_y1_1_3.o eomccsdtq_y1_1_4.o eomccsdtq_y1_2.o eomccsdtq_y1_2_1.o OFFSET_eomccsdtq_y1_2_1.o eomccsdtq_y1_2_2.o eomccsdtq_y1_2_3.o eomccsdtq_y1_2_3_1.o OFFSET_eomccsdtq_y1_2_3_1.o eomccsdtq_y1_3.o eomccsdtq_y1_4.o eomccsdtq_y1_4_1.o OFFSET_eomccsdtq_y1_4_1.o eomccsdtq_y1_4_2.o eomccsdtq_y1_4_2_1.o OFFSET_eomccsdtq_y1_4_2_1.o eomccsdtq_y1_4_2_2.o eomccsdtq_y1_4_2_2_1.o OFFSET_eomccsdtq_y1_4_2_2_1.o eomccsdtq_y1_4_2_2_2.o eomccsdtq_y1_4_2_3.o eomccsdtq_y1_4_2_4.o eomccsdtq_y1_4_3.o eomccsdtq_y1_4_3_1.o OFFSET_eomccsdtq_y1_4_3_1.o eomccsdtq_y1_4_3_2.o eomccsdtq_y1_4_4.o eomccsdtq_y1_4_5.o eomccsdtq_y1_4_5_1.o OFFSET_eomccsdtq_y1_4_5_1.o eomccsdtq_y1_4_5_2.o eomccsdtq_y1_4_6.o eomccsdtq_y1_4_6_1.o OFFSET_eomccsdtq_y1_4_6_1.o eomccsdtq_y1_4_6_2.o eomccsdtq_y1_4_7.o eomccsdtq_y1_4_8.o eomccsdtq_y1_5.o eomccsdtq_y1_5_1.o OFFSET_eomccsdtq_y1_5_1.o eomccsdtq_y1_5_2.o eomccsdtq_y1_5_2_1.o OFFSET_eomccsdtq_y1_5_2_1.o eomccsdtq_y1_5_2_2.o eomccsdtq_y1_5_2_2_1.o OFFSET_eomccsdtq_y1_5_2_2_1.o eomccsdtq_y1_5_2_2_2.o eomccsdtq_y1_5_2_3.o eomccsdtq_y1_5_3.o eomccsdtq_y1_5_3_1.o OFFSET_eomccsdtq_y1_5_3_1.o eomccsdtq_y1_5_3_2.o eomccsdtq_y1_5_4.o eomccsdtq_y1_5_4_1.o OFFSET_eomccsdtq_y1_5_4_1.o eomccsdtq_y1_5_4_2.o eomccsdtq_y1_5_5.o eomccsdtq_y1_5_5_1.o OFFSET_eomccsdtq_y1_5_5_1.o eomccsdtq_y1_5_5_2.o eomccsdtq_y1_5_6.o eomccsdtq_y1_5_7.o eomccsdtq_y1_6.o eomccsdtq_y1_6_1.o OFFSET_eomccsdtq_y1_6_1.o eomccsdtq_y1_6_2.o eomccsdtq_y1_7.o eomccsdtq_y1_7_1.o OFFSET_eomccsdtq_y1_7_1.o eomccsdtq_y1_7_2.o eomccsdtq_y1_7_2_1.o OFFSET_eomccsdtq_y1_7_2_1.o eomccsdtq_y1_7_2_2.o eomccsdtq_y1_7_2_2_1.o OFFSET_eomccsdtq_y1_7_2_2_1.o eomccsdtq_y1_7_2_2_2.o eomccsdtq_y1_7_2_2_2_1.o OFFSET_eomccsdtq_y1_7_2_2_2_1.o eomccsdtq_y1_7_2_2_2_2.o eomccsdtq_y1_7_2_2_3.o eomccsdtq_y1_7_2_3.o eomccsdtq_y1_7_2_3_1.o OFFSET_eomccsdtq_y1_7_2_3_1.o eomccsdtq_y1_7_2_3_2.o eomccsdtq_y1_7_2_4.o eomccsdtq_y1_7_2_5.o eomccsdtq_y1_7_2_5_1.o OFFSET_eomccsdtq_y1_7_2_5_1.o eomccsdtq_y1_7_3.o eomccsdtq_y1_7_3_1.o OFFSET_eomccsdtq_y1_7_3_1.o eomccsdtq_y1_7_3_2.o eomccsdtq_y1_7_4.o eomccsdtq_y1_7_4_1.o OFFSET_eomccsdtq_y1_7_4_1.o eomccsdtq_y1_7_4_2.o eomccsdtq_y1_7_4_2_1.o OFFSET_eomccsdtq_y1_7_4_2_1.o eomccsdtq_y1_7_5.o eomccsdtq_y1_7_5_1.o OFFSET_eomccsdtq_y1_7_5_1.o eomccsdtq_y1_7_5_2.o eomccsdtq_y1_7_5_2_1.o OFFSET_eomccsdtq_y1_7_5_2_1.o eomccsdtq_y1_7_6.o eomccsdtq_y1_7_6_1.o OFFSET_eomccsdtq_y1_7_6_1.o eomccsdtq_y1_7_6_2.o eomccsdtq_y1_7_6_2_1.o OFFSET_eomccsdtq_y1_7_6_2_1.o eomccsdtq_y1_7_6_2_2.o eomccsdtq_y1_7_6_3.o eomccsdtq_y1_7_7.o eomccsdtq_y1_7_7_1.o OFFSET_eomccsdtq_y1_7_7_1.o eomccsdtq_y1_7_7_2.o eomccsdtq_y1_7_7_3.o eomccsdtq_y1_7_8.o eomccsdtq_y1_7_9.o eomccsdtq_y1_7_9_1.o OFFSET_eomccsdtq_y1_7_9_1.o eomccsdtq_y1_7_9_2.o eomccsdtq_y1_7_10.o eomccsdtq_y1_7_10_1.o OFFSET_eomccsdtq_y1_7_10_1.o eomccsdtq_y1_7_10_2.o eomccsdtq_y1_7_11.o eomccsdtq_y1_7_12.o eomccsdtq_y1_7_13.o eomccsdtq_y1_7_13_1.o OFFSET_eomccsdtq_y1_7_13_1.o eomccsdtq_y1_7_13_2.o eomccsdtq_y1_7_13_3.o eomccsdtq_y1_7_14.o eomccsdtq_y1_7_14_1.o OFFSET_eomccsdtq_y1_7_14_1.o eomccsdtq_y1_7_14_2.o eomccsdtq_y1_7_14_3.o eomccsdtq_y1_7_15.o eomccsdtq_y1_7_15_1.o OFFSET_eomccsdtq_y1_7_15_1.o eomccsdtq_y1_7_15_2.o eomccsdtq_y1_8.o eomccsdtq_y1_8_1.o OFFSET_eomccsdtq_y1_8_1.o eomccsdtq_y1_8_2.o eomccsdtq_y1_8_3.o eomccsdtq_y1_8_4.o eomccsdtq_y1_9.o eomccsdtq_y1_9_1.o OFFSET_eomccsdtq_y1_9_1.o eomccsdtq_y1_9_2.o eomccsdtq_y1_9_3.o eomccsdtq_y1_9_4.o eomccsdtq_y1_10.o eomccsdtq_y1_10_1.o OFFSET_eomccsdtq_y1_10_1.o eomccsdtq_y1_10_2.o eomccsdtq_y1_10_3.o eomccsdtq_y1_10_4.o eomccsdtq_y1_11.o eomccsdtq_y1_11_1.o OFFSET_eomccsdtq_y1_11_1.o eomccsdtq_y1_11_2.o eomccsdtq_y1_11_3.o eomccsdtq_y1_12.o eomccsdtq_y1_12_1.o OFFSET_eomccsdtq_y1_12_1.o eomccsdtq_y1_12_2.o eomccsdtq_y1_12_3.o eomccsdtq_y1_12_4.o eomccsdtq_y1_12_4_1.o OFFSET_eomccsdtq_y1_12_4_1.o eomccsdtq_y1_12_4_2.o eomccsdtq_y1_12_4_3.o eomccsdtq_y1_12_4_4.o eomccsdtq_y1_12_5.o eomccsdtq_y1_12_5_1.o OFFSET_eomccsdtq_y1_12_5_1.o eomccsdtq_y1_12_5_2.o eomccsdtq_y1_12_5_2_1.o OFFSET_eomccsdtq_y1_12_5_2_1.o eomccsdtq_y1_12_5_2_2.o eomccsdtq_y1_12_5_3.o eomccsdtq_y1_12_6.o eomccsdtq_y1_12_6_1.o OFFSET_eomccsdtq_y1_12_6_1.o eomccsdtq_y1_12_6_2.o eomccsdtq_y1_12_7.o eomccsdtq_y1_12_7_1.o OFFSET_eomccsdtq_y1_12_7_1.o eomccsdtq_y1_13.o eomccsdtq_y1_13_1.o OFFSET_eomccsdtq_y1_13_1.o eomccsdtq_y1_13_2.o eomccsdtq_y1_13_3.o eomccsdtq_y1_13_4.o eomccsdtq_y1_13_4_1.o OFFSET_eomccsdtq_y1_13_4_1.o eomccsdtq_y1_13_4_2.o eomccsdtq_y1_13_4_3.o eomccsdtq_y1_13_4_4.o eomccsdtq_y1_13_4_4_1.o OFFSET_eomccsdtq_y1_13_4_4_1.o eomccsdtq_y1_13_4_4_2.o eomccsdtq_y1_13_4_4_3.o eomccsdtq_y1_13_4_5.o eomccsdtq_y1_13_4_5_1.o OFFSET_eomccsdtq_y1_13_4_5_1.o eomccsdtq_y1_13_4_5_1_1.o OFFSET_eomccsdtq_y1_13_4_5_1_1.o eomccsdtq_y1_13_4_5_1_2.o eomccsdtq_y1_13_4_5_1_3.o eomccsdtq_y1_13_5.o eomccsdtq_y1_13_5_1.o OFFSET_eomccsdtq_y1_13_5_1.o eomccsdtq_y1_13_6.o eomccsdtq_y1_13_6_1.o OFFSET_eomccsdtq_y1_13_6_1.o eomccsdtq_y1_13_6_2.o eomccsdtq_y1_13_6_3.o eomccsdtq_y1_13_7.o eomccsdtq_y1_13_7_1.o OFFSET_eomccsdtq_y1_13_7_1.o eomccsdtq_y1_13_7_2.o eomccsdtq_y1_13_8.o eomccsdtq_y1_13_8_1.o OFFSET_eomccsdtq_y1_13_8_1.o eomccsdtq_y1_13_9.o eomccsdtq_y1_13_9_1.o OFFSET_eomccsdtq_y1_13_9_1.o eomccsdtq_y1_13_9_2.o eomccsdtq_y1_13_10.o eomccsdtq_y1_13_10_1.o OFFSET_eomccsdtq_y1_13_10_1.o eomccsdtq_y1_13_10_1_1.o OFFSET_eomccsdtq_y1_13_10_1_1.o eomccsdtq_y1_13_10_1_2.o eomccsdtq_y1_13_10_2.o eomccsdtq_y1_13_11.o eomccsdtq_y1_13_11_1.o OFFSET_eomccsdtq_y1_13_11_1.o eomccsdtq_y1_13_12.o eomccsdtq_y1_13_12_1.o OFFSET_eomccsdtq_y1_13_12_1.o eomccsdtq_y1_13_12_1_1.o OFFSET_eomccsdtq_y1_13_12_1_1.o eomccsdtq_y1_13_12_2.o eomccsdtq_y1_13_12_2_1.o OFFSET_eomccsdtq_y1_13_12_2_1.o eomccsdtq_y1_13_13.o eomccsdtq_y1_13_13_1.o OFFSET_eomccsdtq_y1_13_13_1.o eomccsdtq_y1_13_13_1_1.o OFFSET_eomccsdtq_y1_13_13_1_1.o eomccsdtq_y1_13_13_1_1_1.o OFFSET_eomccsdtq_y1_13_13_1_1_1.o eomccsdtq_y1_13_13_1_1_2.o eomccsdtq_y1_14.o eomccsdtq_y1_14_1.o OFFSET_eomccsdtq_y1_14_1.o eomccsdtq_y1_14_2.o eomccsdtq_y1_14_3.o eomccsdtq_y1_14_4.o eomccsdtq_y1_14_4_1.o OFFSET_eomccsdtq_y1_14_4_1.o eomccsdtq_y1_14_5.o eomccsdtq_y1_14_5_1.o OFFSET_eomccsdtq_y1_14_5_1.o eomccsdtq_y1_14_5_2.o eomccsdtq_y1_14_6.o eomccsdtq_y1_14_6_1.o OFFSET_eomccsdtq_y1_14_6_1.o eomccsdtq_y1_14_6_1_1.o OFFSET_eomccsdtq_y1_14_6_1_1.o eomccsdtq_y1_14_6_1_2.o eomccsdtq_y1_14_6_1_3.o eomccsdtq_y1_15.o eomccsdtq_y1_15_1.o OFFSET_eomccsdtq_y1_15_1.o eomccsdtq_y1_15_2.o eomccsdtq_y1_15_3.o eomccsdtq_y1_15_4.o eomccsdtq_y1_15_4_1.o OFFSET_eomccsdtq_y1_15_4_1.o eomccsdtq_y1_15_4_2.o eomccsdtq_y1_15_4_3.o eomccsdtq_y1_15_5.o eomccsdtq_y1_15_5_1.o OFFSET_eomccsdtq_y1_15_5_1.o eomccsdtq_y1_15_5_2.o eomccsdtq_y1_15_5_2_1.o OFFSET_eomccsdtq_y1_15_5_2_1.o eomccsdtq_y1_15_5_2_2.o eomccsdtq_y1_15_6.o eomccsdtq_y1_15_6_1.o OFFSET_eomccsdtq_y1_15_6_1.o eomccsdtq_y1_16.o eomccsdtq_y1_16_1.o OFFSET_eomccsdtq_y1_16_1.o eomccsdtq_y1_16_2.o eomccsdtq_y1_17.o eomccsdtq_y1_17_1.o OFFSET_eomccsdtq_y1_17_1.o eomccsdtq_y1_17_1_1.o OFFSET_eomccsdtq_y1_17_1_1.o eomccsdtq_y1_17_1_2.o eomccsdtq_y1_17_1_3.o eomccsdtq_y1_17_1_4.o eomccsdtq_y1_17_1_4_1.o OFFSET_eomccsdtq_y1_17_1_4_1.o eomccsdtq_y1_17_1_4_2.o eomccsdtq_y1_17_2.o eomccsdtq_y1_17_2_1.o OFFSET_eomccsdtq_y1_17_2_1.o eomccsdtq_y1_17_2_2.o eomccsdtq_y1_17_3.o eomccsdtq_y1_17_3_1.o OFFSET_eomccsdtq_y1_17_3_1.o eomccsdtq_y1_17_3_2.o eomccsdtq_y1_17_4.o eomccsdtq_y1_17_5.o eomccsdtq_y1_17_6.o eomccsdtq_y1_17_6_1.o OFFSET_eomccsdtq_y1_17_6_1.o eomccsdtq_y1_17_7.o eomccsdtq_y1_17_7_1.o 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eomccsdtq_y1_19_24_1.o OFFSET_eomccsdtq_y1_19_24_1.o eomccsdtq_y1_19_24_1_1.o OFFSET_eomccsdtq_y1_19_24_1_1.o eomccsdtq_y1_20.o eomccsdtq_y1_20_1.o OFFSET_eomccsdtq_y1_20_1.o eomccsdtq_y1_20_1_1.o OFFSET_eomccsdtq_y1_20_1_1.o eomccsdtq_y1_20_1_2.o eomccsdtq_y1_20_1_3.o eomccsdtq_y1_20_1_4.o eomccsdtq_y1_20_2.o eomccsdtq_y1_20_2_1.o OFFSET_eomccsdtq_y1_20_2_1.o eomccsdtq_y1_20_2_2.o eomccsdtq_y1_20_3.o eomccsdtq_y1_20_3_1.o OFFSET_eomccsdtq_y1_20_3_1.o eomccsdtq_y1_20_3_2.o eomccsdtq_y1_20_4.o eomccsdtq_y1_20_5.o eomccsdtq_y1_20_5_1.o OFFSET_eomccsdtq_y1_20_5_1.o eomccsdtq_y1_20_6.o eomccsdtq_y1_20_6_1.o OFFSET_eomccsdtq_y1_20_6_1.o eomccsdtq_y1_20_6_1_1.o OFFSET_eomccsdtq_y1_20_6_1_1.o eomccsdtq_y1_20_6_1_2.o eomccsdtq_y1_20_6_1_3.o eomccsdtq_y1_20_6_1_4.o eomccsdtq_y1_20_6_1_4_1.o OFFSET_eomccsdtq_y1_20_6_1_4_1.o eomccsdtq_y1_20_6_1_4_2.o eomccsdtq_y1_20_6_1_4_3.o eomccsdtq_y1_20_7.o eomccsdtq_y1_20_7_1.o OFFSET_eomccsdtq_y1_20_7_1.o eomccsdtq_y1_20_8.o eomccsdtq_y1_20_8_1.o 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eomccsdtq_y1_22_4_1_1_2.o eomccsdtq_y2_1.o eomccsdtq_y2_1_1.o OFFSET_eomccsdtq_y2_1_1.o eomccsdtq_y2_1_2.o eomccsdtq_y2_2.o eomccsdtq_y2_2_1.o OFFSET_eomccsdtq_y2_2_1.o eomccsdtq_y2_2_2.o eomccsdtq_y2_3.o eomccsdtq_y2_4.o eomccsdtq_y2_4_1.o OFFSET_eomccsdtq_y2_4_1.o eomccsdtq_y2_4_2.o eomccsdtq_y2_4_2_1.o OFFSET_eomccsdtq_y2_4_2_1.o eomccsdtq_y2_4_2_2.o eomccsdtq_y2_4_3.o eomccsdtq_y2_4_4.o eomccsdtq_y2_5.o eomccsdtq_y2_5_1.o OFFSET_eomccsdtq_y2_5_1.o eomccsdtq_y2_5_2.o eomccsdtq_y2_5_3.o eomccsdtq_y2_5_4.o eomccsdtq_y2_5_4_1.o OFFSET_eomccsdtq_y2_5_4_1.o eomccsdtq_y2_6.o eomccsdtq_y2_6_1.o OFFSET_eomccsdtq_y2_6_1.o eomccsdtq_y2_6_2.o eomccsdtq_y2_6_2_1.o OFFSET_eomccsdtq_y2_6_2_1.o eomccsdtq_y2_6_2_2.o eomccsdtq_y2_6_3.o eomccsdtq_y2_7.o eomccsdtq_y2_7_1.o OFFSET_eomccsdtq_y2_7_1.o eomccsdtq_y2_7_2.o eomccsdtq_y2_7_3.o eomccsdtq_y2_8.o eomccsdtq_y2_9.o eomccsdtq_y2_9_1.o OFFSET_eomccsdtq_y2_9_1.o eomccsdtq_y2_9_2.o eomccsdtq_y2_9_2_1.o OFFSET_eomccsdtq_y2_9_2_1.o eomccsdtq_y2_9_2_2.o eomccsdtq_y2_9_2_2_1.o OFFSET_eomccsdtq_y2_9_2_2_1.o eomccsdtq_y2_9_2_2_2.o eomccsdtq_y2_9_2_3.o eomccsdtq_y2_9_2_4.o eomccsdtq_y2_9_3.o eomccsdtq_y2_9_3_1.o OFFSET_eomccsdtq_y2_9_3_1.o eomccsdtq_y2_9_3_2.o eomccsdtq_y2_9_3_3.o eomccsdtq_y2_9_4.o eomccsdtq_y2_9_5.o eomccsdtq_y2_9_5_1.o OFFSET_eomccsdtq_y2_9_5_1.o eomccsdtq_y2_9_5_2.o eomccsdtq_y2_9_6.o eomccsdtq_y2_9_7.o eomccsdtq_y2_9_8.o eomccsdtq_y2_10.o eomccsdtq_y2_10_1.o OFFSET_eomccsdtq_y2_10_1.o eomccsdtq_y2_10_2.o eomccsdtq_y2_10_2_1.o OFFSET_eomccsdtq_y2_10_2_1.o eomccsdtq_y2_10_2_2.o eomccsdtq_y2_10_2_2_1.o OFFSET_eomccsdtq_y2_10_2_2_1.o eomccsdtq_y2_10_2_2_2.o eomccsdtq_y2_10_2_3.o eomccsdtq_y2_10_3.o eomccsdtq_y2_10_3_1.o OFFSET_eomccsdtq_y2_10_3_1.o eomccsdtq_y2_10_3_2.o eomccsdtq_y2_10_4.o eomccsdtq_y2_10_4_1.o OFFSET_eomccsdtq_y2_10_4_1.o eomccsdtq_y2_10_4_2.o eomccsdtq_y2_10_5.o eomccsdtq_y2_10_5_1.o OFFSET_eomccsdtq_y2_10_5_1.o eomccsdtq_y2_10_5_2.o eomccsdtq_y2_10_6.o eomccsdtq_y2_10_7.o eomccsdtq_y2_11.o eomccsdtq_y2_11_1.o OFFSET_eomccsdtq_y2_11_1.o eomccsdtq_y2_11_2.o eomccsdtq_y2_11_3.o eomccsdtq_y2_11_3_1.o OFFSET_eomccsdtq_y2_11_3_1.o eomccsdtq_y2_11_3_2.o eomccsdtq_y2_11_4.o eomccsdtq_y2_11_5.o eomccsdtq_y2_11_6.o eomccsdtq_y2_11_6_1.o OFFSET_eomccsdtq_y2_11_6_1.o eomccsdtq_y2_11_7.o eomccsdtq_y2_11_7_1.o OFFSET_eomccsdtq_y2_11_7_1.o eomccsdtq_y2_12.o eomccsdtq_y2_12_1.o OFFSET_eomccsdtq_y2_12_1.o eomccsdtq_y2_12_2.o eomccsdtq_y2_12_2_1.o OFFSET_eomccsdtq_y2_12_2_1.o eomccsdtq_y2_12_2_2.o eomccsdtq_y2_12_2_2_1.o OFFSET_eomccsdtq_y2_12_2_2_1.o eomccsdtq_y2_12_2_2_2.o eomccsdtq_y2_12_2_2_2_1.o OFFSET_eomccsdtq_y2_12_2_2_2_1.o eomccsdtq_y2_12_2_2_2_2.o eomccsdtq_y2_12_2_2_3.o eomccsdtq_y2_12_2_3.o eomccsdtq_y2_12_2_3_1.o OFFSET_eomccsdtq_y2_12_2_3_1.o eomccsdtq_y2_12_2_3_2.o eomccsdtq_y2_12_2_4.o eomccsdtq_y2_12_2_5.o eomccsdtq_y2_12_2_5_1.o OFFSET_eomccsdtq_y2_12_2_5_1.o eomccsdtq_y2_12_3.o eomccsdtq_y2_12_3_1.o OFFSET_eomccsdtq_y2_12_3_1.o eomccsdtq_y2_12_3_2.o eomccsdtq_y2_12_4.o eomccsdtq_y2_12_4_1.o OFFSET_eomccsdtq_y2_12_4_1.o eomccsdtq_y2_12_4_2.o eomccsdtq_y2_12_4_2_1.o OFFSET_eomccsdtq_y2_12_4_2_1.o eomccsdtq_y2_12_5.o eomccsdtq_y2_12_5_1.o OFFSET_eomccsdtq_y2_12_5_1.o eomccsdtq_y2_12_5_2.o eomccsdtq_y2_12_5_2_1.o OFFSET_eomccsdtq_y2_12_5_2_1.o eomccsdtq_y2_12_6.o eomccsdtq_y2_12_6_1.o OFFSET_eomccsdtq_y2_12_6_1.o eomccsdtq_y2_12_6_2.o eomccsdtq_y2_12_6_2_1.o OFFSET_eomccsdtq_y2_12_6_2_1.o eomccsdtq_y2_12_6_2_2.o eomccsdtq_y2_12_6_3.o eomccsdtq_y2_12_7.o eomccsdtq_y2_12_7_1.o OFFSET_eomccsdtq_y2_12_7_1.o eomccsdtq_y2_12_7_2.o eomccsdtq_y2_12_7_3.o eomccsdtq_y2_12_8.o eomccsdtq_y2_12_9.o eomccsdtq_y2_12_9_1.o OFFSET_eomccsdtq_y2_12_9_1.o eomccsdtq_y2_12_9_2.o eomccsdtq_y2_12_10.o eomccsdtq_y2_12_10_1.o OFFSET_eomccsdtq_y2_12_10_1.o eomccsdtq_y2_12_10_2.o eomccsdtq_y2_12_11.o eomccsdtq_y2_12_12.o eomccsdtq_y2_12_13.o eomccsdtq_y2_12_13_1.o OFFSET_eomccsdtq_y2_12_13_1.o eomccsdtq_y2_12_13_2.o eomccsdtq_y2_12_13_3.o eomccsdtq_y2_12_14.o eomccsdtq_y2_12_14_1.o OFFSET_eomccsdtq_y2_12_14_1.o eomccsdtq_y2_12_14_2.o eomccsdtq_y2_12_14_3.o eomccsdtq_y2_12_15.o eomccsdtq_y2_12_15_1.o OFFSET_eomccsdtq_y2_12_15_1.o eomccsdtq_y2_12_15_2.o eomccsdtq_y2_13.o eomccsdtq_y2_13_1.o OFFSET_eomccsdtq_y2_13_1.o eomccsdtq_y2_13_2.o eomccsdtq_y2_13_3.o eomccsdtq_y2_13_4.o eomccsdtq_y2_14.o eomccsdtq_y2_14_1.o OFFSET_eomccsdtq_y2_14_1.o eomccsdtq_y2_14_2.o eomccsdtq_y2_14_3.o eomccsdtq_y2_15.o eomccsdtq_y2_15_1.o OFFSET_eomccsdtq_y2_15_1.o eomccsdtq_y2_15_2.o eomccsdtq_y2_15_3.o eomccsdtq_y2_16.o eomccsdtq_y2_16_1.o OFFSET_eomccsdtq_y2_16_1.o eomccsdtq_y2_16_2.o eomccsdtq_y2_16_3.o eomccsdtq_y2_17.o eomccsdtq_y2_17_1.o OFFSET_eomccsdtq_y2_17_1.o eomccsdtq_y2_17_2.o eomccsdtq_y2_18.o eomccsdtq_y2_18_1.o OFFSET_eomccsdtq_y2_18_1.o eomccsdtq_y2_18_2.o eomccsdtq_y2_18_3.o eomccsdtq_y2_19.o eomccsdtq_y2_19_1.o OFFSET_eomccsdtq_y2_19_1.o eomccsdtq_y2_19_2.o eomccsdtq_y2_19_3.o eomccsdtq_y2_19_4.o eomccsdtq_y2_19_4_1.o OFFSET_eomccsdtq_y2_19_4_1.o eomccsdtq_y2_19_5.o eomccsdtq_y2_19_5_1.o OFFSET_eomccsdtq_y2_19_5_1.o eomccsdtq_y2_19_5_2.o eomccsdtq_y2_19_6.o eomccsdtq_y2_19_6_1.o OFFSET_eomccsdtq_y2_19_6_1.o eomccsdtq_y2_19_6_1_1.o OFFSET_eomccsdtq_y2_19_6_1_1.o eomccsdtq_y2_19_6_1_2.o eomccsdtq_y2_19_6_1_3.o eomccsdtq_y2_20.o eomccsdtq_y2_20_1.o OFFSET_eomccsdtq_y2_20_1.o eomccsdtq_y2_20_2.o eomccsdtq_y2_21.o eomccsdtq_y2_21_1.o OFFSET_eomccsdtq_y2_21_1.o eomccsdtq_y2_21_2.o eomccsdtq_y2_22.o eomccsdtq_y2_22_1.o OFFSET_eomccsdtq_y2_22_1.o eomccsdtq_y2_22_1_1.o OFFSET_eomccsdtq_y2_22_1_1.o eomccsdtq_y2_22_1_2.o eomccsdtq_y2_22_1_3.o eomccsdtq_y2_22_1_3_1.o OFFSET_eomccsdtq_y2_22_1_3_1.o eomccsdtq_y2_22_1_3_2.o eomccsdtq_y2_22_2.o eomccsdtq_y2_22_2_1.o OFFSET_eomccsdtq_y2_22_2_1.o eomccsdtq_y2_22_2_2.o eomccsdtq_y2_22_2_3.o eomccsdtq_y2_22_2_4.o eomccsdtq_y2_22_2_4_1.o OFFSET_eomccsdtq_y2_22_2_4_1.o eomccsdtq_y2_22_2_4_2.o eomccsdtq_y2_22_3.o eomccsdtq_y2_22_3_1.o OFFSET_eomccsdtq_y2_22_3_1.o eomccsdtq_y2_22_3_2.o eomccsdtq_y2_22_4.o eomccsdtq_y2_22_4_1.o OFFSET_eomccsdtq_y2_22_4_1.o eomccsdtq_y2_22_4_2.o eomccsdtq_y2_22_5.o eomccsdtq_y2_22_5_1.o OFFSET_eomccsdtq_y2_22_5_1.o eomccsdtq_y2_22_5_2.o eomccsdtq_y2_22_6.o eomccsdtq_y2_22_7.o eomccsdtq_y2_22_7_1.o OFFSET_eomccsdtq_y2_22_7_1.o eomccsdtq_y2_22_7_1_1.o OFFSET_eomccsdtq_y2_22_7_1_1.o eomccsdtq_y2_22_8.o eomccsdtq_y2_22_8_1.o OFFSET_eomccsdtq_y2_22_8_1.o eomccsdtq_y2_22_8_1_1.o OFFSET_eomccsdtq_y2_22_8_1_1.o eomccsdtq_y2_23.o eomccsdtq_y2_23_1.o OFFSET_eomccsdtq_y2_23_1.o eomccsdtq_y2_23_1_1.o OFFSET_eomccsdtq_y2_23_1_1.o eomccsdtq_y2_23_1_2.o eomccsdtq_y2_23_2.o eomccsdtq_y2_23_2_1.o OFFSET_eomccsdtq_y2_23_2_1.o eomccsdtq_y2_23_2_2.o eomccsdtq_y2_23_3.o eomccsdtq_y2_23_3_1.o OFFSET_eomccsdtq_y2_23_3_1.o eomccsdtq_y2_23_3_2.o eomccsdtq_y2_23_4.o eomccsdtq_y2_24.o eomccsdtq_y2_24_1.o OFFSET_eomccsdtq_y2_24_1.o eomccsdtq_y2_25.o eomccsdtq_y2_25_1.o OFFSET_eomccsdtq_y2_25_1.o eomccsdtq_y2_25_2.o eomccsdtq_y2_25_3.o eomccsdtq_y2_25_3_1.o OFFSET_eomccsdtq_y2_25_3_1.o eomccsdtq_y2_25_3_2.o eomccsdtq_y2_25_3_3.o eomccsdtq_y2_25_4.o eomccsdtq_y2_25_4_1.o OFFSET_eomccsdtq_y2_25_4_1.o eomccsdtq_y2_25_4_2.o eomccsdtq_y2_25_4_2_1.o OFFSET_eomccsdtq_y2_25_4_2_1.o eomccsdtq_y2_25_4_2_2.o eomccsdtq_y2_25_5.o eomccsdtq_y2_25_5_1.o OFFSET_eomccsdtq_y2_25_5_1.o eomccsdtq_y2_26.o eomccsdtq_y2_26_1.o OFFSET_eomccsdtq_y2_26_1.o eomccsdtq_y2_27.o eomccsdtq_y2_27_1.o OFFSET_eomccsdtq_y2_27_1.o eomccsdtq_y2_27_1_1.o OFFSET_eomccsdtq_y2_27_1_1.o eomccsdtq_y2_27_2.o eomccsdtq_y2_27_2_1.o OFFSET_eomccsdtq_y2_27_2_1.o eomccsdtq_y2_28.o eomccsdtq_y2_28_1.o OFFSET_eomccsdtq_y2_28_1.o eomccsdtq_y2_28_1_1.o OFFSET_eomccsdtq_y2_28_1_1.o eomccsdtq_y2_28_1_2.o eomccsdtq_y2_28_2.o eomccsdtq_y2_28_2_1.o OFFSET_eomccsdtq_y2_28_2_1.o eomccsdtq_y2_28_2_1_1.o OFFSET_eomccsdtq_y2_28_2_1_1.o eomccsdtq_y2_28_2_1_2.o eomccsdtq_y2_28_2_1_3.o eomccsdtq_y2_29.o eomccsdtq_y2_29_1.o OFFSET_eomccsdtq_y2_29_1.o eomccsdtq_y2_29_1_1.o OFFSET_eomccsdtq_y2_29_1_1.o eomccsdtq_y2_29_1_2.o eomccsdtq_y2_29_2.o eomccsdtq_y2_29_2_1.o OFFSET_eomccsdtq_y2_29_2_1.o eomccsdtq_y2_29_2_1_1.o OFFSET_eomccsdtq_y2_29_2_1_1.o eomccsdtq_y2_29_2_1_2.o eomccsdtq_y2_29_3.o eomccsdtq_y2_29_3_1.o OFFSET_eomccsdtq_y2_29_3_1.o eomccsdtq_y2_29_3_1_1.o OFFSET_eomccsdtq_y2_29_3_1_1.o eomccsdtq_y2_29_3_1_2.o eomccsdtq_y2_29_4.o eomccsdtq_y2_29_4_1.o OFFSET_eomccsdtq_y2_29_4_1.o eomccsdtq_y2_29_4_1_1.o OFFSET_eomccsdtq_y2_29_4_1_1.o eomccsdtq_y2_30.o eomccsdtq_y2_30_1.o OFFSET_eomccsdtq_y2_30_1.o eomccsdtq_y2_30_1_1.o OFFSET_eomccsdtq_y2_30_1_1.o eomccsdtq_y2_30_2.o eomccsdtq_y2_30_2_1.o OFFSET_eomccsdtq_y2_30_2_1.o eomccsdtq_y3_1.o eomccsdtq_y3_2.o eomccsdtq_y3_2_1.o OFFSET_eomccsdtq_y3_2_1.o eomccsdtq_y3_2_2.o eomccsdtq_y3_3.o eomccsdtq_y3_3_1.o OFFSET_eomccsdtq_y3_3_1.o eomccsdtq_y3_3_2.o eomccsdtq_y3_4.o eomccsdtq_y3_5.o eomccsdtq_y3_5_1.o OFFSET_eomccsdtq_y3_5_1.o eomccsdtq_y3_5_2.o eomccsdtq_y3_5_2_1.o OFFSET_eomccsdtq_y3_5_2_1.o eomccsdtq_y3_5_2_2.o eomccsdtq_y3_5_3.o eomccsdtq_y3_5_4.o eomccsdtq_y3_6.o eomccsdtq_y3_6_1.o OFFSET_eomccsdtq_y3_6_1.o eomccsdtq_y3_6_2.o eomccsdtq_y3_6_3.o eomccsdtq_y3_6_4.o eomccsdtq_y3_6_4_1.o OFFSET_eomccsdtq_y3_6_4_1.o eomccsdtq_y3_7.o eomccsdtq_y3_7_1.o OFFSET_eomccsdtq_y3_7_1.o eomccsdtq_y3_7_2.o eomccsdtq_y3_7_2_1.o OFFSET_eomccsdtq_y3_7_2_1.o eomccsdtq_y3_7_2_2.o eomccsdtq_y3_7_3.o eomccsdtq_y3_8.o eomccsdtq_y3_8_1.o OFFSET_eomccsdtq_y3_8_1.o eomccsdtq_y3_8_2.o eomccsdtq_y3_8_3.o eomccsdtq_y3_8_4.o eomccsdtq_y3_8_4_1.o OFFSET_eomccsdtq_y3_8_4_1.o eomccsdtq_y3_9.o eomccsdtq_y3_10.o eomccsdtq_y3_10_1.o OFFSET_eomccsdtq_y3_10_1.o eomccsdtq_y3_10_2.o eomccsdtq_y3_10_2_1.o OFFSET_eomccsdtq_y3_10_2_1.o eomccsdtq_y3_10_2_2.o eomccsdtq_y3_10_2_2_1.o OFFSET_eomccsdtq_y3_10_2_2_1.o eomccsdtq_y3_10_2_2_2.o eomccsdtq_y3_10_2_3.o eomccsdtq_y3_10_2_4.o eomccsdtq_y3_10_3.o eomccsdtq_y3_10_3_1.o OFFSET_eomccsdtq_y3_10_3_1.o eomccsdtq_y3_10_3_2.o eomccsdtq_y3_10_3_3.o eomccsdtq_y3_10_4.o eomccsdtq_y3_10_5.o eomccsdtq_y3_10_5_1.o OFFSET_eomccsdtq_y3_10_5_1.o eomccsdtq_y3_10_5_2.o eomccsdtq_y3_10_6.o eomccsdtq_y3_10_7.o eomccsdtq_y3_10_8.o eomccsdtq_y3_11.o eomccsdtq_y3_11_1.o OFFSET_eomccsdtq_y3_11_1.o eomccsdtq_y3_11_2.o eomccsdtq_y3_11_2_1.o OFFSET_eomccsdtq_y3_11_2_1.o eomccsdtq_y3_11_2_2.o eomccsdtq_y3_11_2_2_1.o OFFSET_eomccsdtq_y3_11_2_2_1.o eomccsdtq_y3_11_2_2_2.o eomccsdtq_y3_11_2_3.o eomccsdtq_y3_11_3.o eomccsdtq_y3_11_3_1.o OFFSET_eomccsdtq_y3_11_3_1.o eomccsdtq_y3_11_3_2.o eomccsdtq_y3_11_4.o eomccsdtq_y3_11_4_1.o OFFSET_eomccsdtq_y3_11_4_1.o eomccsdtq_y3_11_4_2.o eomccsdtq_y3_11_5.o eomccsdtq_y3_11_5_1.o OFFSET_eomccsdtq_y3_11_5_1.o eomccsdtq_y3_11_5_2.o eomccsdtq_y3_11_6.o eomccsdtq_y3_11_7.o eomccsdtq_y3_12.o eomccsdtq_y3_12_1.o OFFSET_eomccsdtq_y3_12_1.o eomccsdtq_y3_12_2.o eomccsdtq_y3_12_3.o eomccsdtq_y3_12_3_1.o OFFSET_eomccsdtq_y3_12_3_1.o eomccsdtq_y3_12_3_2.o eomccsdtq_y3_12_4.o eomccsdtq_y3_12_5.o eomccsdtq_y3_12_6.o eomccsdtq_y3_12_6_1.o OFFSET_eomccsdtq_y3_12_6_1.o eomccsdtq_y3_12_7.o eomccsdtq_y3_12_7_1.o OFFSET_eomccsdtq_y3_12_7_1.o eomccsdtq_y3_13.o eomccsdtq_y3_13_1.o OFFSET_eomccsdtq_y3_13_1.o eomccsdtq_y3_13_2.o eomccsdtq_y3_13_3.o eomccsdtq_y3_14.o eomccsdtq_y3_14_1.o OFFSET_eomccsdtq_y3_14_1.o eomccsdtq_y3_14_2.o eomccsdtq_y3_15.o eomccsdtq_y3_15_1.o OFFSET_eomccsdtq_y3_15_1.o eomccsdtq_y3_15_2.o eomccsdtq_y3_16.o eomccsdtq_y3_16_1.o OFFSET_eomccsdtq_y3_16_1.o eomccsdtq_y3_16_2.o eomccsdtq_y3_17.o eomccsdtq_y3_17_1.o OFFSET_eomccsdtq_y3_17_1.o eomccsdtq_y3_18.o eomccsdtq_y3_18_1.o OFFSET_eomccsdtq_y3_18_1.o eomccsdtq_y3_18_2.o eomccsdtq_y3_19.o eomccsdtq_y3_19_1.o OFFSET_eomccsdtq_y3_19_1.o eomccsdtq_y3_19_2.o eomccsdtq_y3_19_3.o eomccsdtq_y3_19_3_1.o OFFSET_eomccsdtq_y3_19_3_1.o eomccsdtq_y3_19_4.o eomccsdtq_y3_19_4_1.o OFFSET_eomccsdtq_y3_19_4_1.o eomccsdtq_y3_20.o eomccsdtq_y3_20_1.o OFFSET_eomccsdtq_y3_20_1.o eomccsdtq_y3_21.o eomccsdtq_y3_21_1.o OFFSET_eomccsdtq_y3_21_1.o eomccsdtq_y3_22.o eomccsdtq_y3_22_1.o OFFSET_eomccsdtq_y3_22_1.o eomccsdtq_y3_23.o eomccsdtq_y3_23_1.o OFFSET_eomccsdtq_y3_23_1.o eomccsdtq_y3_24.o eomccsdtq_y3_24_1.o OFFSET_eomccsdtq_y3_24_1.o eomccsdtq_y3_24_1_1.o OFFSET_eomccsdtq_y3_24_1_1.o eomccsdtq_y3_25.o eomccsdtq_y3_25_1.o OFFSET_eomccsdtq_y3_25_1.o eomccsdtq_y3_25_1_1.o OFFSET_eomccsdtq_y3_25_1_1.o eomccsdtq_y3_26.o eomccsdtq_y3_26_1.o OFFSET_eomccsdtq_y3_26_1.o eomccsdtq_y3_26_1_1.o OFFSET_eomccsdtq_y3_26_1_1.o eomccsdtq_y3_26_2.o eomccsdtq_y3_26_2_1.o OFFSET_eomccsdtq_y3_26_2_1.o eomccsdtq_y3_27.o eomccsdtq_y3_27_1.o OFFSET_eomccsdtq_y3_27_1.o eomccsdtq_y3_27_1_1.o OFFSET_eomccsdtq_y3_27_1_1.o eomccsdtq_y3_27_2.o eomccsdtq_y3_27_2_1.o OFFSET_eomccsdtq_y3_27_2_1.o eomccsdtq_y3_27_2_1_1.o OFFSET_eomccsdtq_y3_27_2_1_1.o eomccsdtq_y4_1.o eomccsdtq_y4_2.o eomccsdtq_y4_2_1.o OFFSET_eomccsdtq_y4_2_1.o eomccsdtq_y4_2_2.o eomccsdtq_y4_3.o eomccsdtq_y4_3_1.o OFFSET_eomccsdtq_y4_3_1.o eomccsdtq_y4_3_2.o eomccsdtq_y4_4.o eomccsdtq_y4_5.o eomccsdtq_y4_5_1.o OFFSET_eomccsdtq_y4_5_1.o eomccsdtq_y4_5_2.o eomccsdtq_y4_5_2_1.o OFFSET_eomccsdtq_y4_5_2_1.o eomccsdtq_y4_5_2_2.o eomccsdtq_y4_5_3.o eomccsdtq_y4_5_4.o eomccsdtq_y4_6.o eomccsdtq_y4_6_1.o OFFSET_eomccsdtq_y4_6_1.o eomccsdtq_y4_6_2.o eomccsdtq_y4_6_3.o eomccsdtq_y4_6_4.o eomccsdtq_y4_6_4_1.o OFFSET_eomccsdtq_y4_6_4_1.o eomccsdtq_y4_7.o eomccsdtq_y4_7_1.o OFFSET_eomccsdtq_y4_7_1.o eomccsdtq_y4_7_2.o eomccsdtq_y4_7_2_1.o OFFSET_eomccsdtq_y4_7_2_1.o eomccsdtq_y4_7_2_2.o eomccsdtq_y4_7_3.o eomccsdtq_y4_8.o eomccsdtq_y4_8_1.o OFFSET_eomccsdtq_y4_8_1.o eomccsdtq_y4_8_2.o eomccsdtq_y4_8_3.o eomccsdtq_y4_8_4.o eomccsdtq_y4_8_4_1.o OFFSET_eomccsdtq_y4_8_4_1.o eomccsdtq_y4_9.o eomccsdtq_y4_10.o eomccsdtq_y4_10_1.o OFFSET_eomccsdtq_y4_10_1.o eomccsdtq_y4_10_2.o eomccsdtq_y4_11.o eomccsdtq_y4_11_1.o OFFSET_eomccsdtq_y4_11_1.o eomccsdtq_y4_12.o eomccsdtq_y4_12_1.o OFFSET_eomccsdtq_y4_12_1.o eomccsdtq_y4_13.o eomccsdtq_y4_13_1.o OFFSET_eomccsdtq_y4_13_1.o eomccsdtq_y4_14.o eomccsdtq_y4_14_1.o OFFSET_eomccsdtq_y4_14_1.o eomccsdtq_y4_15.o eomccsdtq_y4_15_1.o OFFSET_eomccsdtq_y4_15_1.o eomccsdtq_y4_15_2.o eomccsdtq_y4_15_2_1.o OFFSET_eomccsdtq_y4_15_2_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' Making all in ccsdtq_alpha_offdiag make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' Compiling ccsdtq_lr_alpha_10_1_1.F... Compiling ccsdtq_lr_alpha_10_1.F... Compiling ccsdtq_lr_alpha_10_2_1.F... Compiling ccsdtq_lr_alpha_10_2_2.F... Compiling ccsdtq_lr_alpha_10_2.F... Compiling ccsdtq_lr_alpha_10_3_1.F... Compiling ccsdtq_lr_alpha_10_3.F... Compiling ccsdtq_lr_alpha_10_4_1.F... Compiling ccsdtq_lr_alpha_10_4.F... Compiling ccsdtq_lr_alpha_10_5_1.F... Compiling ccsdtq_lr_alpha_10_5_2.F... Compiling ccsdtq_lr_alpha_10_5.F... Compiling ccsdtq_lr_alpha_10_6_1.F... Compiling ccsdtq_lr_alpha_10_6.F... Compiling ccsdtq_lr_alpha_10.F... Compiling ccsdtq_lr_alpha_1_10_1.F... Compiling ccsdtq_lr_alpha_1_10_2.F... Compiling ccsdtq_lr_alpha_1_10_3.F... Compiling ccsdtq_lr_alpha_1_10.F... Compiling ccsdtq_lr_alpha_1_11_1.F... Compiling ccsdtq_lr_alpha_11_1_1.F... Compiling ccsdtq_lr_alpha_1_11_2.F... Compiling ccsdtq_lr_alpha_11_1_2.F... Compiling ccsdtq_lr_alpha_11_1_3.F... Compiling ccsdtq_lr_alpha_1_11.F... Compiling ccsdtq_lr_alpha_11_1.F... Compiling ccsdtq_lr_alpha_1_12_1.F... Compiling ccsdtq_lr_alpha_11_2_1.F... Compiling ccsdtq_lr_alpha_11_2_2.F... Compiling ccsdtq_lr_alpha_11_2_3.F... Compiling ccsdtq_lr_alpha_1_12.F... Compiling ccsdtq_lr_alpha_11_2.F... Compiling ccsdtq_lr_alpha_11_3_1.F... Compiling ccsdtq_lr_alpha_11_3_2.F... Compiling ccsdtq_lr_alpha_11_3.F... Compiling ccsdtq_lr_alpha_11_4_1.F... Compiling ccsdtq_lr_alpha_11_4.F... Compiling ccsdtq_lr_alpha_11_5_1.F... Compiling ccsdtq_lr_alpha_11_5_2.F... Compiling ccsdtq_lr_alpha_11_5.F... Compiling ccsdtq_lr_alpha_11_6_1.F... Compiling ccsdtq_lr_alpha_11_6.F... Compiling ccsdtq_lr_alpha_1_1.F... Compiling ccsdtq_lr_alpha_11.F... Compiling ccsdtq_lr_alpha_12_10_1.F... Compiling ccsdtq_lr_alpha_12_10_2_1.F... Compiling ccsdtq_lr_alpha_12_10_2.F... Compiling ccsdtq_lr_alpha_12_10_3_1.F... Compiling ccsdtq_lr_alpha_12_10_3.F... Compiling ccsdtq_lr_alpha_12_10_4_1.F... Compiling ccsdtq_lr_alpha_12_10_4.F... Compiling ccsdtq_lr_alpha_12_10_5_1.F... Compiling ccsdtq_lr_alpha_12_10_5.F... Compiling ccsdtq_lr_alpha_12_10_6_1.F... Compiling ccsdtq_lr_alpha_12_10_6.F... Compiling ccsdtq_lr_alpha_12_10_7_1.F... Compiling ccsdtq_lr_alpha_12_10_7.F... Compiling ccsdtq_lr_alpha_12_10.F... Compiling ccsdtq_lr_alpha_12_11_1.F... Compiling ccsdtq_lr_alpha_12_11_2.F... Compiling ccsdtq_lr_alpha_12_1_1.F... Compiling ccsdtq_lr_alpha_12_11.F... Compiling ccsdtq_lr_alpha_12_12_1.F... Compiling ccsdtq_lr_alpha_12_12.F... Compiling ccsdtq_lr_alpha_12_13_1.F... Compiling ccsdtq_lr_alpha_12_13.F... Compiling ccsdtq_lr_alpha_12_14_1.F... Compiling ccsdtq_lr_alpha_12_14.F... Compiling ccsdtq_lr_alpha_12_15_1_1.F... Compiling ccsdtq_lr_alpha_12_15_1.F... Compiling ccsdtq_lr_alpha_12_15_2_1.F... Compiling ccsdtq_lr_alpha_12_15_2.F... Compiling ccsdtq_lr_alpha_12_15_3_1.F... Compiling ccsdtq_lr_alpha_12_15_3.F... Compiling ccsdtq_lr_alpha_12_15_4_1.F... Compiling ccsdtq_lr_alpha_12_15_4.F... Compiling ccsdtq_lr_alpha_12_15_5_1.F... Compiling ccsdtq_lr_alpha_12_15_5.F... Compiling ccsdtq_lr_alpha_12_15_6_1.F... Compiling ccsdtq_lr_alpha_12_15_6.F... Compiling ccsdtq_lr_alpha_12_15.F... Compiling ccsdtq_lr_alpha_12_16_1_1.F... Compiling ccsdtq_lr_alpha_12_16_1.F... Compiling ccsdtq_lr_alpha_12_16_2_1.F... Compiling ccsdtq_lr_alpha_12_16_2.F... Compiling ccsdtq_lr_alpha_12_16.F... Compiling ccsdtq_lr_alpha_12_17_1_1.F... Compiling ccsdtq_lr_alpha_12_17_1.F... Compiling ccsdtq_lr_alpha_12_17_2_1.F... Compiling ccsdtq_lr_alpha_12_17_2.F... Compiling ccsdtq_lr_alpha_12_17.F... Compiling ccsdtq_lr_alpha_12_18_1_1.F... Compiling ccsdtq_lr_alpha_12_18_1.F... Compiling ccsdtq_lr_alpha_12_18_2_1.F... Compiling ccsdtq_lr_alpha_12_18_2.F... Compiling ccsdtq_lr_alpha_12_18.F... Compiling ccsdtq_lr_alpha_12_1.F... Compiling ccsdtq_lr_alpha_12_2_1.F... Compiling ccsdtq_lr_alpha_12_2_2.F... Compiling ccsdtq_lr_alpha_12_2.F... Compiling ccsdtq_lr_alpha_12_3_1.F... Compiling ccsdtq_lr_alpha_12_3_2_1.F... Compiling ccsdtq_lr_alpha_12_3_2.F... Compiling ccsdtq_lr_alpha_12_3_3_1.F... Compiling ccsdtq_lr_alpha_12_3_3.F... Compiling ccsdtq_lr_alpha_12_3_4_1.F... Compiling ccsdtq_lr_alpha_12_3_4.F... Compiling ccsdtq_lr_alpha_12_3_5_1.F... Compiling ccsdtq_lr_alpha_12_3_5.F... Compiling ccsdtq_lr_alpha_12_3_6_1.F... Compiling ccsdtq_lr_alpha_12_3_6.F... Compiling ccsdtq_lr_alpha_12_3_7_1.F... Compiling ccsdtq_lr_alpha_12_3_7.F... Compiling ccsdtq_lr_alpha_12_3.F... Compiling ccsdtq_lr_alpha_12_4_1.F... Compiling ccsdtq_lr_alpha_12_4_2.F... Compiling ccsdtq_lr_alpha_12_4.F... Compiling ccsdtq_lr_alpha_12_5_1.F... Compiling ccsdtq_lr_alpha_12_5.F... Compiling ccsdtq_lr_alpha_12_6_1.F... Compiling ccsdtq_lr_alpha_12_6.F... Compiling ccsdtq_lr_alpha_12_7_1.F... Compiling ccsdtq_lr_alpha_12_7.F... Compiling ccsdtq_lr_alpha_12_8_1.F... Compiling ccsdtq_lr_alpha_12_8.F... Compiling ccsdtq_lr_alpha_12_9_1.F... Compiling ccsdtq_lr_alpha_12_9_2.F... Compiling ccsdtq_lr_alpha_12_9.F... Compiling ccsdtq_lr_alpha_1_2.F... Compiling ccsdtq_lr_alpha_12.F... Compiling ccsdtq_lr_alpha_13_10_1.F... Compiling ccsdtq_lr_alpha_13_10.F... Compiling ccsdtq_lr_alpha_13_11_1.F... Compiling ccsdtq_lr_alpha_13_11_2.F... Compiling ccsdtq_lr_alpha_13_11_3.F... Compiling ccsdtq_lr_alpha_13_1_1.F... Compiling ccsdtq_lr_alpha_13_11.F... Compiling ccsdtq_lr_alpha_13_12_1.F... Compiling ccsdtq_lr_alpha_13_12_2.F... Compiling ccsdtq_lr_alpha_13_1_2.F... Compiling ccsdtq_lr_alpha_13_12.F... Compiling ccsdtq_lr_alpha_13_13_1.F... Compiling ccsdtq_lr_alpha_13_1_3.F... Compiling ccsdtq_lr_alpha_13_13.F... Compiling ccsdtq_lr_alpha_13_1_4_1.F... Compiling ccsdtq_lr_alpha_13_14_1.F... Compiling ccsdtq_lr_alpha_13_14_2.F... Compiling ccsdtq_lr_alpha_13_1_4.F... Compiling ccsdtq_lr_alpha_13_14.F... Compiling ccsdtq_lr_alpha_13_1_5_1.F... Compiling ccsdtq_lr_alpha_13_15_1.F... Compiling ccsdtq_lr_alpha_13_1_5_2.F... Compiling ccsdtq_lr_alpha_13_15_2.F... Compiling ccsdtq_lr_alpha_13_1_5_3.F... Compiling ccsdtq_lr_alpha_13_1_5.F... Compiling ccsdtq_lr_alpha_13_15.F... Compiling ccsdtq_lr_alpha_13_1_6_1.F... Compiling ccsdtq_lr_alpha_13_16_1.F... Compiling ccsdtq_lr_alpha_13_1_6.F... Compiling ccsdtq_lr_alpha_13_16.F... Compiling ccsdtq_lr_alpha_13_17_1_1.F... Compiling ccsdtq_lr_alpha_13_1_7_1.F... Compiling ccsdtq_lr_alpha_13_17_1.F... Compiling ccsdtq_lr_alpha_13_17_2_1.F... Compiling ccsdtq_lr_alpha_13_1_7_2.F... Compiling ccsdtq_lr_alpha_13_17_2.F... Compiling ccsdtq_lr_alpha_13_17_3_1.F... Compiling ccsdtq_lr_alpha_13_1_7_3.F... Compiling ccsdtq_lr_alpha_13_17_3.F... Compiling ccsdtq_lr_alpha_13_17_4_1.F... Compiling ccsdtq_lr_alpha_13_17_4.F... Compiling ccsdtq_lr_alpha_13_1_7.F... Compiling ccsdtq_lr_alpha_13_17.F... Compiling ccsdtq_lr_alpha_13_18_1_1.F... Compiling ccsdtq_lr_alpha_13_18_1.F... Compiling ccsdtq_lr_alpha_13_18_2_1.F... Compiling ccsdtq_lr_alpha_13_18_2.F... Compiling ccsdtq_lr_alpha_13_18_3_1.F... Compiling ccsdtq_lr_alpha_13_18_3_2.F... Compiling ccsdtq_lr_alpha_13_18_3_3.F... 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Compiling offset_ccsdtq_lr_alpha_9_8_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdtq_lr_alpha_10_1_1.o ccsdtq_lr_alpha_10_1.o ccsdtq_lr_alpha_10_2_1.o ccsdtq_lr_alpha_10_2_2.o ccsdtq_lr_alpha_10_2.o ccsdtq_lr_alpha_10_3_1.o ccsdtq_lr_alpha_10_3.o ccsdtq_lr_alpha_10_4_1.o ccsdtq_lr_alpha_10_4.o ccsdtq_lr_alpha_10_5_1.o ccsdtq_lr_alpha_10_5_2.o ccsdtq_lr_alpha_10_5.o ccsdtq_lr_alpha_10_6_1.o ccsdtq_lr_alpha_10_6.o ccsdtq_lr_alpha_10.o ccsdtq_lr_alpha_1_10_1.o ccsdtq_lr_alpha_1_10_2.o ccsdtq_lr_alpha_1_10_3.o ccsdtq_lr_alpha_1_10.o ccsdtq_lr_alpha_1_11_1.o 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offset_ccsdtq_lr_alpha_15_48_9_3_1.o offset_ccsdtq_lr_alpha_15_48_9_4_1_1.o offset_ccsdtq_lr_alpha_15_48_9_4_1.o offset_ccsdtq_lr_alpha_15_49_1_1.o offset_ccsdtq_lr_alpha_15_49_1.o offset_ccsdtq_lr_alpha_15_49_2_1.o offset_ccsdtq_lr_alpha_15_50_1_1.o offset_ccsdtq_lr_alpha_15_50_1.o offset_ccsdtq_lr_alpha_15_50_2_1.o offset_ccsdtq_lr_alpha_15_50_3_1.o offset_ccsdtq_lr_alpha_15_50_4_1.o offset_ccsdtq_lr_alpha_15_51_1_1.o offset_ccsdtq_lr_alpha_15_51_1.o offset_ccsdtq_lr_alpha_15_51_2_1.o offset_ccsdtq_lr_alpha_15_51_3_1.o offset_ccsdtq_lr_alpha_15_51_4_1.o offset_ccsdtq_lr_alpha_15_5_1.o offset_ccsdtq_lr_alpha_15_52_10_1_1.o offset_ccsdtq_lr_alpha_15_52_10_1.o offset_ccsdtq_lr_alpha_15_52_10_2_1.o offset_ccsdtq_lr_alpha_15_52_10_3_1.o offset_ccsdtq_lr_alpha_15_52_10_4_1.o offset_ccsdtq_lr_alpha_15_52_11_1_1.o offset_ccsdtq_lr_alpha_15_52_11_1.o offset_ccsdtq_lr_alpha_15_52_11_2_1.o offset_ccsdtq_lr_alpha_15_52_11_3_1.o offset_ccsdtq_lr_alpha_15_52_11_4_1.o offset_ccsdtq_lr_alpha_15_52_1_1.o offset_ccsdtq_lr_alpha_15_52_12_1_1.o offset_ccsdtq_lr_alpha_15_52_12_1.o offset_ccsdtq_lr_alpha_15_52_12_2_1.o offset_ccsdtq_lr_alpha_15_52_12_3_1.o offset_ccsdtq_lr_alpha_15_52_1_4_1.o offset_ccsdtq_lr_alpha_15_52_1_5_1.o offset_ccsdtq_lr_alpha_15_52_1_6_1.o offset_ccsdtq_lr_alpha_15_52_1_7_1.o offset_ccsdtq_lr_alpha_15_52_1.o offset_ccsdtq_lr_alpha_15_52_2_1.o offset_ccsdtq_lr_alpha_15_52_3_1.o offset_ccsdtq_lr_alpha_15_52_4_1.o offset_ccsdtq_lr_alpha_15_52_5_1.o offset_ccsdtq_lr_alpha_15_52_5_4_1.o offset_ccsdtq_lr_alpha_15_52_5_5_1.o offset_ccsdtq_lr_alpha_15_52_5_6_1.o offset_ccsdtq_lr_alpha_15_52_5_7_1.o offset_ccsdtq_lr_alpha_15_52_6_1.o offset_ccsdtq_lr_alpha_15_52_7_1.o offset_ccsdtq_lr_alpha_15_52_8_1.o offset_ccsdtq_lr_alpha_15_52_9_1_1.o offset_ccsdtq_lr_alpha_15_52_9_1.o offset_ccsdtq_lr_alpha_15_52_9_2_1.o offset_ccsdtq_lr_alpha_15_52_9_3_1.o offset_ccsdtq_lr_alpha_15_52_9_4_1.o offset_ccsdtq_lr_alpha_15_53_1_1.o offset_ccsdtq_lr_alpha_15_53_1.o offset_ccsdtq_lr_alpha_15_53_2_1.o offset_ccsdtq_lr_alpha_15_54_1_1.o offset_ccsdtq_lr_alpha_15_5_4_1.o offset_ccsdtq_lr_alpha_15_54_1.o offset_ccsdtq_lr_alpha_15_54_2_1.o offset_ccsdtq_lr_alpha_15_54_3_1_1.o offset_ccsdtq_lr_alpha_15_54_3_1.o offset_ccsdtq_lr_alpha_15_54_4_1_1.o offset_ccsdtq_lr_alpha_15_54_4_1.o offset_ccsdtq_lr_alpha_15_54_4_2_1.o offset_ccsdtq_lr_alpha_15_55_1_1.o offset_ccsdtq_lr_alpha_15_5_5_1.o offset_ccsdtq_lr_alpha_15_55_1.o offset_ccsdtq_lr_alpha_15_55_2_1.o offset_ccsdtq_lr_alpha_15_5_6_1.o offset_ccsdtq_lr_alpha_15_5_7_1.o offset_ccsdtq_lr_alpha_15_6_1.o offset_ccsdtq_lr_alpha_15_7_1.o offset_ccsdtq_lr_alpha_15_7_4_1.o offset_ccsdtq_lr_alpha_15_7_5_1.o offset_ccsdtq_lr_alpha_15_7_6_1.o offset_ccsdtq_lr_alpha_15_7_7_1.o offset_ccsdtq_lr_alpha_15_8_1.o offset_ccsdtq_lr_alpha_15_8_3_1.o offset_ccsdtq_lr_alpha_15_8_4_1.o offset_ccsdtq_lr_alpha_15_9_1.o offset_ccsdtq_lr_alpha_16_10_1.o offset_ccsdtq_lr_alpha_16_11_1.o offset_ccsdtq_lr_alpha_16_1_1.o offset_ccsdtq_lr_alpha_16_12_1.o offset_ccsdtq_lr_alpha_16_1_3_1.o offset_ccsdtq_lr_alpha_16_13_1.o offset_ccsdtq_lr_alpha_16_1_4_1.o offset_ccsdtq_lr_alpha_16_14_1.o offset_ccsdtq_lr_alpha_16_15_1_1.o offset_ccsdtq_lr_alpha_16_15_1.o offset_ccsdtq_lr_alpha_16_15_2_1.o offset_ccsdtq_lr_alpha_16_15_3_1.o offset_ccsdtq_lr_alpha_16_15_4_1.o offset_ccsdtq_lr_alpha_16_15_5_1.o offset_ccsdtq_lr_alpha_16_15_6_1.o offset_ccsdtq_lr_alpha_16_16_1_1.o offset_ccsdtq_lr_alpha_16_16_1.o offset_ccsdtq_lr_alpha_16_16_2_1.o offset_ccsdtq_lr_alpha_16_17_1_1.o offset_ccsdtq_lr_alpha_16_17_1.o offset_ccsdtq_lr_alpha_16_17_2_1.o offset_ccsdtq_lr_alpha_16_18_1_1.o offset_ccsdtq_lr_alpha_16_18_1.o offset_ccsdtq_lr_alpha_16_18_2_1.o offset_ccsdtq_lr_alpha_16_18_3_1.o offset_ccsdtq_lr_alpha_16_18_4_1.o offset_ccsdtq_lr_alpha_16_18_5_1.o offset_ccsdtq_lr_alpha_16_18_6_1.o offset_ccsdtq_lr_alpha_16_19_1_1.o offset_ccsdtq_lr_alpha_16_19_1.o offset_ccsdtq_lr_alpha_16_19_2_1.o offset_ccsdtq_lr_alpha_1_6_1.o offset_ccsdtq_lr_alpha_16_1.o offset_ccsdtq_lr_alpha_16_20_1_1.o offset_ccsdtq_lr_alpha_16_20_1.o offset_ccsdtq_lr_alpha_16_20_2_1.o offset_ccsdtq_lr_alpha_16_20_3_1.o offset_ccsdtq_lr_alpha_16_20_4_1.o offset_ccsdtq_lr_alpha_16_20_5_1.o offset_ccsdtq_lr_alpha_16_20_6_1.o offset_ccsdtq_lr_alpha_16_21_1_1.o offset_ccsdtq_lr_alpha_16_21_1.o offset_ccsdtq_lr_alpha_16_21_2_1.o offset_ccsdtq_lr_alpha_16_2_1.o offset_ccsdtq_lr_alpha_16_3_1.o offset_ccsdtq_lr_alpha_16_4_1.o offset_ccsdtq_lr_alpha_16_5_1.o offset_ccsdtq_lr_alpha_16_6_1.o offset_ccsdtq_lr_alpha_16_7_1.o offset_ccsdtq_lr_alpha_16_8_1.o offset_ccsdtq_lr_alpha_16_8_3_1.o offset_ccsdtq_lr_alpha_16_8_4_1.o offset_ccsdtq_lr_alpha_16_9_1.o offset_ccsdtq_lr_alpha_1_7_1.o offset_ccsdtq_lr_alpha_17_1.o offset_ccsdtq_lr_alpha_1_8_1.o offset_ccsdtq_lr_alpha_1_9_1.o offset_ccsdtq_lr_alpha_2_1.o offset_ccsdtq_lr_alpha_3_1_1.o offset_ccsdtq_lr_alpha_3_1.o offset_ccsdtq_lr_alpha_3_2_1.o offset_ccsdtq_lr_alpha_3_3_1.o offset_ccsdtq_lr_alpha_3_3_3_1.o offset_ccsdtq_lr_alpha_3_3_4_1.o offset_ccsdtq_lr_alpha_3_4_1.o offset_ccsdtq_lr_alpha_3_5_1.o offset_ccsdtq_lr_alpha_3_5_3_1.o offset_ccsdtq_lr_alpha_3_5_4_1.o offset_ccsdtq_lr_alpha_3_6_1.o offset_ccsdtq_lr_alpha_3_7_1.o offset_ccsdtq_lr_alpha_3_8_1.o offset_ccsdtq_lr_alpha_3_9_1_1.o offset_ccsdtq_lr_alpha_3_9_1.o offset_ccsdtq_lr_alpha_3_9_2_1.o offset_ccsdtq_lr_alpha_4_1.o offset_ccsdtq_lr_alpha_5_10_1.o offset_ccsdtq_lr_alpha_5_11_1.o offset_ccsdtq_lr_alpha_5_12_1.o offset_ccsdtq_lr_alpha_5_1.o offset_ccsdtq_lr_alpha_5_5_1.o offset_ccsdtq_lr_alpha_5_6_1.o offset_ccsdtq_lr_alpha_5_7_1.o offset_ccsdtq_lr_alpha_5_8_1.o offset_ccsdtq_lr_alpha_5_9_1.o offset_ccsdtq_lr_alpha_6_1.o offset_ccsdtq_lr_alpha_7_1.o offset_ccsdtq_lr_alpha_8_1.o offset_ccsdtq_lr_alpha_9_1_1.o offset_ccsdtq_lr_alpha_9_1.o offset_ccsdtq_lr_alpha_9_2_1.o offset_ccsdtq_lr_alpha_9_3_1.o offset_ccsdtq_lr_alpha_9_4_1.o offset_ccsdtq_lr_alpha_9_5_1.o offset_ccsdtq_lr_alpha_9_6_1.o offset_ccsdtq_lr_alpha_9_7_1.o offset_ccsdtq_lr_alpha_9_8_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' Making all in response make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a' is up to date. make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' /bin/sh: line 1: bc: command not found Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' Making libraries in bq make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making libraries in mm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' Compiling mm_input.F... Compiling mm_data.F... mm_data.F:574:51: 574 | if(.not. rtdb_get(rtdb,'qmmm:qm_en',mt_dbl,1,eqmtot)) | 1 ...... 704 | if(.not.rtdb_get(rtdb,'neb:ibead',mt_int,1,ibead)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mm_data.F:418:29: 289 | call ga_brdcst(msg_smd,e, | 2 ...... 418 | call ga_brdcst(msg_smd,g, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mm_coords.F... Compiling mm_vdw.F... Compiling mm_bond.F... Compiling mm_bond_coords.F... Compiling mm_link.F... mm_link.F:550:49: 24 | if(.not.rtdb_get(rtdb,'mm:qmlink',mt_log,1,qmlink)) | 2 ...... 550 | if(.not.rtdb_get(rtdb,'mm:cutoff',mt_dbl,1,cut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mm_geom.F... Compiling mm_vdw_coords.F... Compiling mm_bq.F... Compiling mm_neb.F... mm_neb.F:46:52: 46 | if(.not.rtdb_get(rtdb,'neb:nbeads',mt_int,1,nbeads)) | 1 ...... 194 | if(.not.rtdb_get(rtdb,'mm:scnb_adjust',mt_log,1,scnb_adj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_neb.F:143:72: 143 | & call errquit("error getting crdparm "//pname,0 -1) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling mm_cons.F... mm_cons.F:68:29: 35 | if (.not. rtdb_get(irtdb,'qmmm:n_spring',mt_int,1,ns)) | 2 ...... 68 | + ns,dbl_mb(i_as))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' Making libraries in cons make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making libraries in perfm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a' is up to date. make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making libraries in dntmc make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Compiling dntmc_input.F... dntmc_input.F:48:13: 48 | & nspecies)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:58:13: 58 | & nob)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:91:13: 91 | & temp)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dntmc_input.F:101:13: 101 | & mcsteps)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:133:11: 133 | & 0)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:144:13: 144 | & mprnt)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:155:11: 155 | & procrestart)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dntmc_setgeom.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Compiling gibbs.F... gibbs.F:2893:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:2894:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) 2894 | call ga_brdcst(msg_dntmc2+MSGDBL, NDSIG, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:4068:61: 2728 | & , dynamic)) | 2 ...... 4068 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, unew)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:1195:45: 1195 | call ga_put(g_proc,myid+1,myid+1,1,1,util_sgroup_mygroup(),ld) | 1 ...... 2877 | call ga_put(g_pr,ilo,ihi,jlo,jhi,NUMBERAVR,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1199:43: 1199 | call ga_get(g_proc,1,inodesbig,1,1,bigproc,ld) | 1 ...... 2882 | call ga_get(g_pr,ilo,ihi,jlo,jhi,TESTME,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1223:72: 1223 | &ga_destroy(g_proc) failed', GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_3' at (1) gibbs.F:929:9: 929 | & dntSEED(1))) | 1 ...... 1546 | if(.not. rtdb_put(rtdb,'rtdb:stored:state',mt_log,3,ostate)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:4115:72: 4115 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7042] *)_570][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:3322:72: 3322 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7725] *)_546][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1674:72: 1674 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.8471] *)_492][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1914:27: 1914 | IF((CONT2 .eq. 0).or.(new_markov_chain)) then | ^ Warning: 'new_markov_chain' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1462:30: 1462 | logical new_markov_chain | ^ note: 'new_markov_chain' was declared here make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Making libraries in dangchang make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Compiling dc_initialize.F... Compiling dc_setgeom.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Compiling dc_energy.F... dc_energy.F:445:58: 441 | if (.not. rtdb_put(rtdb,'dangchang:energy',mt_dbl,1,UU)) | 2 ...... 445 | if (.not. rtdb_put(rtdb,'dangchang:dipole',mt_dbl,3,DCDIP)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Making libraries in ccca make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' Compiling task_ccca.F... task_ccca.F:69:27: 45 | + call errquit('task_ccca: rtdb_cput failed',0,RTDB_ERR) | 2 ...... 69 | + 'available.',0,RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(10)/INTEGER(8)). task_ccca.F:69:72: 69 | + 'available.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:77:72: 77 | + 'recognized.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:140:56: 99 | call ccca_err(rtdb_put(rtdb,'ccca:restart',MT_LOG,1,.true.), | 2 ...... 140 | call ccca_err(rtdb_put(rtdb,'ccca:stage',MT_INT,1,0),errcode) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccca_utils.F... ccca_utils.F:1476:51: 1469 | if (.not.rtdb_put(rtdb,'ccca:nopen',mt_int,1,nopen)) | 2 ...... 1476 | if (.not.rtdb_put(rtdb,'ccca:therm',mt_log,1,therm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). ccca_utils.F:1013:60: 1011 | if (rtdb_get(rtdb,'ccca:restart',MT_LOG,1,restart)) then | 2 1012 | if (restart) 1013 | $ call ccca_err(rtdb_get(rtdb,'ccca:stage',MT_INT,1,stage),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a task_ccca.o ccca_utils.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' Making libraries in dimqm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' Compiling dimqm_input.F... dimqm_input.F:159:55: 153 | if (.not. rtdb_put(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 159 | if (.not. rtdb_put(rtdb, 'dimqm:alg', mt_int, 1, alg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimpar_input.F... dimpar_input.F:265:38: 259 | $ mt_dbl, 3*iexp, expdata(1:3, 1:iexp))) | 2 ...... 265 | $ mt_int, 1, iexp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_prep.F... dimqm_prep.F:238:33: 235 | $ mt_int, 1, iexp)) | 2 ...... 238 | $ 3*iexp, rawexpdie(1:3,1:iexp))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dimqm_prep.F:68:63: 68 | if(.not. rtdb_get(rtdb,'dimpar:typeindex', mt_int, nDIM, tx)) | 1 ...... 235 | $ mt_int, 1, iexp)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_prep.F:174:52: 162 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polc, 1) | 2 ...... 174 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polr, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_main.F... dimqm_main.F:89:55: 81 | if(.not. rtdb_get(rtdb,'dimpar:coords',mt_dbl,i3,dimxyz)) | 2 ...... 89 | if(.not. rtdb_get(rtdb,'dimqm:lfirst',mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:191:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dimqm:edimqm', MT_DBL, 1, edimqm)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_main.F:220:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 220 | if (.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:244:72: 244 | $ call errquit("dimqm_main: can't free l_muold", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dimqm_main.F:246:72: 246 | $ call errquit("dimqm_main: can't free l_eqmn", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dimqm_polarizability.F... Compiling dimqm_f2d.F... Compiling dimqm_iterative.F... Compiling qmr_real.F... Compiling qmr_complex.F... qmr_complex.F:215:41: 144 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 215 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling matvecReal.F... matvecReal.F:59:62: 58 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 59 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling matvecComplex.F... matvecComplex.F:63:62: 62 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 63 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_EqmE.F... Compiling t2.F... Compiling pphilo.F... Compiling dimqm_fldpot.F... Compiling dimqm_EqmN.F... Compiling dimqm_printAtomicDipoles.F... dimqm_printAtomicDipoles.F:63:23: 60 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 2 ...... 63 | $ elements)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(1)/INTEGER(8)). Compiling dimqm_energy.F... Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... Compiling dimqm_indDipoles.F... Compiling dimqm_printAtoms.F... dimqm_printAtoms.F:39:59: 37 | $ elements)) | 2 38 | $ call errquit('dimqm_print get names failed',1,RTDB_ERR) 39 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/CHARACTER(*)). Compiling dimqm_addop.F... dimqm_addop.F:294:63: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 294 | if(.not.rtdb_get(dimqm_rtdb,'dimpar:coords', mt_dbl, i3, dimxyz)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:333:48: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 333 | $ mt_dbl, i3, muold(:,:,1))) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:351:45: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 351 | $ mt_dbl, i3, muold(:,:,2))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:581:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 581 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:582:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 582 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop.F:598:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 598 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:599:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 599 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dimqm_lclfld.F... dimqm_lclfld.F:199:21: 81 | call ga_zero(g_dipel_i) | 2 ...... 199 | call ga_zero(g_dim_r) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling seeded_qmr_real.F... seeded_qmr_real.F:121:38: 109 | if(.not.rtdb_get(rtdb,'seed:k'//dir, mt_int, 1, k)) | 2 ...... 121 | $ mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmr_seed_real.F... qmr_seed_real.F:188:37: 97 | if(.not.rtdb_put(rtdb,'seed:k'//dir, mt_int, 1, niter)) | 2 ...... 188 | $ mt_dbl, 1,sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling seeded_qmr_real_augment.F... seeded_qmr_real_augment.F:130:62: 120 | if(.not.rtdb_get(rtdb,'seed:k', mt_int, 1, k)) | 2 ...... 130 | if(.not.rtdb_get(rtdb,'seed:sin'//CHAR(j), mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). seeded_qmr_real_augment.F:342:49: 243 | if(.not.rtdb_put(rtdb,'seed:sin'//CHAR(k), mt_dbl, 1, sinn)) | 2 ...... 342 | if(.not.rtdb_put(rtdb,'seed:k', mt_int, 1, k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_tidy.F... Compiling qmr_seed_complex.F... qmr_seed_complex.F:202:36: 199 | $ mt_dcpl, 1, sinn)) | 2 ...... 202 | $ mt_dbl, 1, cosn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). qmr_seed_complex.F:263:41: 154 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 263 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling seeded_qmr_complex.F... seeded_qmr_complex.F:128:37: 116 | if(.not.rtdb_get(rtdb,'seed:k'//dir//'c', mt_int, 1, k)) | 2 ...... 128 | $ mt_dcpl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/INTEGER(8)). seeded_qmr_complex.F:155:34: 154 | call ga_brdcst(msg_dimqm, sinn, mdtob(2), 0) | 2 155 | call ga_brdcst(msg_dimqm, cosn, mdtob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). seeded_qmr_complex.F:292:41: 163 | call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) | 2 ...... 292 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_broadcast.F... dimqm_broadcast.F:33:32: 13 | call ga_brdcst(msg_dimqm, ldimqm, 1, 0) | 2 ...... 33 | call ga_brdcst(msg_dimqm, alg, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling CubicSpline.F... Compiling dim_fock_xc.F... Compiling dim_getv.F... Compiling dim_tabcd.F... Compiling dim_eval_fnl.F... Compiling dim_grid_quadv0.F... dim_grid_quadv0.F:279:24: 111 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 279 | $ dbl_mb(k_dimxyz))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dim_grid_quadv0.F:7:37: 7 | call dim_grid_quadv0_gen(rtdb, g_vdim, 1, 1, .false., 0, 1) | 1 Warning: Rank mismatch in argument 'g_vdim' at (1) (scalar and rank-1) Compiling dim_grid_quadv0a.F... Compiling dim_grid_quadv0b.F... Compiling dimqm_seeding.F... Compiling dimqm_rohf.F... dimqm_rohf.F:136:59: 44 | if(.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 2 ...... 136 | if (.not. rtdb_put(rtdb, 'dimqm:g_dim', mt_int, 1, g_dim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimqm_util.F... dimqm_util.F:73:57: 67 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 73 | if (.not. rtdb_get(rtdb, 'dimpar:ndim', mt_int, 1, ndim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimqm_addop_uhf.F... dimqm_addop_uhf.F:454:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 454 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:455:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 455 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:471:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 471 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:472:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 472 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:979:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 979 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:980:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 980 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:998:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 998 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:999:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 999 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' Making libraries in fcidump make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' Compiling fcidump_inp.F... Compiling task_fcidump.F... task_fcidump.F:78:11: 50 | if (.not. rtdb_get(rtdb, 'fcidump:mos', mt_log, 1, molecorb)) | 2 ...... 78 | $ vir_frozen)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_fcidump.F:88:11: 73 | $ occ_frozen)) | 2 ...... 88 | $ .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fcidump_header.F... fcidump_header.F:104:56: 86 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 2 ...... 104 | if (.not. rtdb_get(rtdb, 'dft:mult', MT_INT, 1,mult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a fcidump_inp.o task_fcidump.o fcidump_header.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' Making libraries in gwmol make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Compiling gwmol.F... Compiling ga_chol_inv_seq.F... Compiling gw_input.F... gw_input.F:64:54: 62 | if (.not.rtdb_put(rtdb, 'gw:evgw0', mt_log, 1, .true.)) | 2 63 | $ call errquit('gw_input: rtdb_put failed', 100, RTDB_ERR) 64 | if (.not.rtdb_put(rtdb, 'gw:eviter', mt_int, 1, eviter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gw_input.F:146:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 146 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:150:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 150 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:162:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 162 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:166:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 166 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_defaults.F... gw_defaults.F:29:46: 20 | ok = rtdb_put(rtdb,'gw:evgw0',mt_log,1,.false.).and. | 2 ...... 29 | & rtdb_put(rtdb,'gw:eviter',mt_int,1,4).and. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling gw_init.F... gw_init.F:83:56: 80 | if (.not.rtdb_get(pars%rtdb,'gw:init',mt_log,1,init)) | 2 ...... 83 | if (.not.rtdb_get(pars%rtdb,'dft:energy',mt_dbl,1,pars%escf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_init.F:325:34: 165 | call int_init(pars%rtdb, 1, cd_bas_han) | 2 ...... 325 | call int_init(pars%rtdb, 2, (/ao_bas_han, cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_finalize.F... Compiling gw_memory.F... Compiling gw_vxc.F... Compiling gw_donewton.F... Compiling gw_cdgw.F... Compiling gw_cdgw_buildin.F... Compiling gw_cdgw_newton.F... gw_cdgw_newton.F:87:28: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 87 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_cdgw_newton.F:173:32: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 173 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling gw_cdgw_graph.F... gw_cdgw_graph.F:200:32: 182 | call ga_brdcst(1038,lvars,2*logs,0) | 2 ...... 200 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling gw_analytic.F... Compiling gw_analytic_newton.F... gw_analytic_newton.F:104:28: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 104 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_analytic_newton.F:204:32: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 204 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling gw_analytic_graph.F... gw_analytic_graph.F:141:32: 128 | call ga_brdcst(1038,converged,logs,0) | 2 ...... 141 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Compiling gw_ri_init.F... gw_ri_init.F:188:72: 188 | offk = k_buf + offset*nij | ^ Warning: 'offset' may be used uninitialized [-Wmaybe-uninitialized] gw_ri_init.F:31:39: 31 | integer g_3ceris,shlo,shhi,offset,ld | ^ note: 'offset' was declared here Compiling gw_invdiag.F... Compiling gw_tools.F... Compiling gw_analytic_wmn.F... Compiling gw_analytic_sigmac.F... Compiling gw_analytic_addrpa.F... Compiling gw_analytic_ovscale.F... Compiling gw_analytic_rpa.F... Compiling gw_analytic_scalxpy.F... Compiling gw_analytic_sigmac_graph.F... Compiling gw_minres.F... gw_minres.F:96:46: 96 | call gw_aprod(OV1,factor,x,y,-4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:98:46: 98 | call gw_aprod(OV1,factor,x,y,-2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:170:47: 170 | call gw_aprod(OV1,factor,v,y,4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:172:47: 172 | call gw_aprod(OV1,factor,v,y,2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:344:28: 291 | call ga_brdcst(1038,istop,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 344 | call ga_brdcst(1038,x,ma_sizeof(mt_dbl,n,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling gw_cdgw_buildrn_graph.F... Compiling gw_cdgw_buildiw.F... Compiling gw_cdgw_buildin_graph.F... Compiling gw_cdgw_buildpi.F... gw_cdgw_buildpi.F:313:17: 313 | if (.not.dorfp) call std2rfp(pi,nri) | ^ Warning: 'dorfp' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildpi.F:40:22: 40 | logical ok,dorfp | ^ note: 'dorfp' was declared here Compiling gw_cdgw_buildrn_minres.F... gw_cdgw_buildrn_minres.F:207:28: 173 | call ga_brdcst(1038,skip,ma_sizeof(mt_log,1,mt_byte),0) | 2 ...... 207 | call ga_brdcst(1038,vector,ma_sizeof(mt_dbl,nri,mt_byte),root) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_cdgw_buildrn_minres.F:257:72: 257 | $ fac*dfactor(ipole,jsp)*factor(ipole,1)**2 | ^ Warning: 'dfactor.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.dim[1].stride' was declared here gw_cdgw_buildrn_minres.F:57:71: Warning: 'dfactor.offset' may be used uninitialized [-Wmaybe-uninitialized] make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a gwmol.o ga_chol_inv_seq.o gw_input.o gw_defaults.o gw_init.o gw_finalize.o gw_memory.o gw_vxc.o gw_donewton.o gw_cdgw.o gw_cdgw_buildin.o gw_cdgw_newton.o gw_cdgw_graph.o gw_analytic.o gw_analytic_newton.o gw_analytic_graph.o gw_ri_init.o gw_invdiag.o gw_tools.o gw_analytic_wmn.o gw_analytic_sigmac.o gw_analytic_addrpa.o gw_analytic_ovscale.o gw_analytic_rpa.o gw_analytic_scalxpy.o gw_analytic_sigmac_graph.o gw_minres.o gw_cdgw_buildrn_graph.o gw_cdgw_buildiw.o gw_cdgw_buildin_graph.o gw_cdgw_buildpi.o gw_cdgw_buildrn_minres.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Making libraries in 64to32blas make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' Compiling yscal.F... Compiling ycopy.F... Compiling ydot.F... Compiling ygemm.F... Compiling ygemv.F... Compiling iyamax.F... Compiling ygesv.F... Compiling ygesvd.F... Compiling yaxpy.F... Compiling yspsvx.F... Compiling yposv.F... Compiling ysyev.F... Compiling ysyevd.F... Compiling yger.F... Compiling yrot.F... Compiling ylaset.F... Compiling yswap.F... Compiling ygebak.F... Compiling ygebal.F... Compiling ynrm2.F... Compiling ylacpy.F... Compiling ylascl.F... Compiling ylange.F... Compiling ytrevc.F... Compiling yhseqr.F... Compiling yorghr.F... Compiling ygehrd.F... Compiling ysterf.F... Compiling ylarnv.F... Compiling ylagtf.F... Compiling ylagts.F... Compiling yasum.F... Compiling ypotri.F... Compiling ypotrf.F... Compiling ysygv.F... Compiling ygeev.F... Compiling ygeevx.F... Compiling ygels.F... Compiling ygelss.F... Compiling ygtsv.F... Compiling ypftrf.F... Compiling ypftri.F... Compiling ytfsm.F... Compiling ygetrf.F... Compiling ygetri.F... Compiling ygetrs.F... Compiling ifily.F... Compiling jscal.F... Compiling jaxpy.F... Compiling jgemm.F... Compiling jheev.F... Compiling jcopy.F... Compiling jdotc.F... Compiling ijamax.F... Compiling jgesvd.F... Compiling jgeev.F... Compiling jgetrs.F... Compiling jgetrf.F... Compiling jlacpy.F... Compiling ysfrk.F... Compiling ysysv.F... Compiling ysytrf.F... Compiling ysytrs.F... Compiling ysymm.F... Compiling ysymv.F... Compiling ysyr2k.F... Compiling ytrmm.F... Compiling ytrtri.F... Compiling jlacp2.F... Compiling ysyrk.F... Compiling jsyrk.F... Compiling jsysv.F... Compiling jsytrf.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o ysyevd.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ygels.o ygelss.o ygtsv.o ypftrf.o ypftri.o ytfsm.o ygetrf.o ygetri.o ygetrs.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o jgeev.o jgetrs.o jgetrf.o jlacpy.o ysfrk.o ysysv.o ysytrf.o ysytrs.o ysymm.o ysymv.o ysyr2k.o ytrmm.o ytrtri.o jlacp2.o ysyrk.o jsyrk.o jsysv.o jsytrf.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' /usr/bin/make nwchem.o stubs.o make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** gfortran -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O0 -fno-aggressive-loop-optimizations -I. -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576'" -DNWCHEM_BRANCH="'7.2.2'" -c -o nwchem.o nwchem.F gfortran -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O0 -fno-aggressive-loop-optimizations -I. -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/openmpi-x86_64 -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576'" -DNWCHEM_BRANCH="'7.2.2'" -c -o stubs.o stubs.F make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' gfortran -L/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 -L/usr/lib64/openmpi/lib -L/usr/lib64/openmpi/lib -o /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -l64to32 -L/usr/lib64 -lflexiblas -L/usr/lib64 -lflexiblas -L/usr/lib64/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lcomex -lopenblas -lm -lscalapack -lopenblas -lpthread -lnwcutil -L/usr/lib64 -lpython3.11 -ldl -lm -L/usr/lib64 -lxcf03 -lxc /bin/rm -f nwchem.o stubs.o + mv ../bin/LINUX64/nwchem ../bin/LINUX64/nwchem_binary_openmpi + echo '#!/bin/bash' + echo 'export FLEXIBLAS=openblas-openmp' + echo -n 'nwchem_binary_openmpi ' + echo '"$@"' + chmod 755 ../bin/LINUX64/nwchem_openmpi + cat ../bin/LINUX64/nwchem_openmpi #!/bin/bash export FLEXIBLAS=openblas-openmp nwchem_binary_openmpi "$@" + NWCHEM_TARGET=LINUX64 + /usr/bin/make BLAS_SIZE=4 USE_INTERNALBLAS=1 USE_MPI=y clean ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 ./util/util_nwchem_version.bash /usr/bin/which: no git in (/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin) make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' rm -f core *.o *.a *.trace Making clean in tools make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools' Not configured make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools' Making clean in include make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' make[1]: 'clean' is up to date. make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' Making clean in basis make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testbasis testbasis.o libcheck if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' Making clean in geom make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Making clean in inp make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o test hnd_rdfree.o hnd_rdfree if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Making clean in input make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ] ; then \ echo input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' Making clean in pstat make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' Making clean in rtdb make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Making clean in hdbm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o words.o if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test test.o rtdbtest rtdbtest.o interact context davetest context.o davetest.o interact.o rtdb_par_f2c.o cntx.o cntx testgr.o testgr if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Making clean in task make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ] ; then \ echo task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o task_gwmol.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' Making clean in symmetry make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_op_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Making clean in util make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' bash: line 1: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/install/bin/ga-config: No such file or directory Making clean in md5 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt ftest mddriver if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testsolve testecce if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ma_solve.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o util_blasthreads.o util_gpu_affinity.o util_scalapack.o util_norm2.o util_dpofa.o util_dgedi.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Making clean in peigs make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' (cd ./src/c; /usr/bin/make clean) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' bash: line 1: /src/tools/guess-mpidefs: No such file or directory rm -f *.o maxx.f F*.f rm -f *.c.* make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' (cd ./src/f77; /usr/bin/make clean) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' bash: line 1: /src/tools/guess-mpidefs: No such file or directory rm -f *.o rm -f *.s rm -f dgetavec.f dlaebz2.f \ dstebz3.f \ neblw2.f sneblw2.f sstebz3.f rm -f F*.f make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' (cd ./comm; /usr/bin/make clean) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' bash: line 1: /src/tools/guess-mpidefs: No such file or directory rm -f *.o rm -f mxbrod.f rm -f mxcombv1.f rm -f mxsubs.f rm -f sum.f peigs_dgop.f make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' (cd ./ctof; /usr/bin/make clean) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' bash: line 1: /src/tools/guess-mpidefs: No such file or directory rm -f *.o make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' Making clean in perfm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making clean in bq make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making clean in cons make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making clean in NWints make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Making clean in simint make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making clean in module make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Making clean in source make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making clean in api make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Making clean in int make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt showxyz showxyz.o int_order.o int_order if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Making clean in auxil make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt spherical spherical.o testnat testnat.o if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Making clean in ints_sp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Making clean in deriv make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Making clean in texas make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Making clean in ecp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test_drive if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Making clean in hondo make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Making clean in rel make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Making clean in dk make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo intgrl_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Making clean in atomscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a ] ; then \ echo orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' Making clean in ddscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Making clean in fast make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt solver testcheby testcarttrans testfmm if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ] ; then \ echo xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ] ; then \ echo comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o cosmo_fock.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Making clean in gradients make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a ] ; then \ echo gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Making clean in moints make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a ] ; then \ echo atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Making clean in nwdft make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Making clean in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' Making clean in input_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Making clean in scf_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Making clean in scf_dft_cg make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Making clean in so_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Making clean in coulomb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Making clean in xc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' Making clean in util make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Making clean in grid make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Making clean in dftgrad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Making clean in lr_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Making clean in lr_tddft_grad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Making clean in zora make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Making clean in spec make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Making clean in rt_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Making clean in matutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Making clean in rtutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Making clean in input make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Making clean in init make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Making clean in canorg make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Making clean in propagators make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Making clean in closedshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Making clean in openshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Making clean in libxc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' Making clean in x2c make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_scf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo nwdft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Making clean in rimp2 make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a ] ; then \ echo rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Making clean in stepper make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a ] ; then \ echo stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Making clean in driver make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a ] ; then \ echo opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Making clean in optim make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' Making clean in deloc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Making clean in mepgs make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Making clean in tropt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Making clean in neb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo neb_input.o neb_drv.o neb_utils.o bead_list.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Making clean in string make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' Making clean in cphf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a ] ; then \ echo cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' Making clean in ccsd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a ] ; then \ echo ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' Making clean in vib make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a ] ; then \ echo vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Making clean in mcscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Making clean in detci make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ] ; then \ echo detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ] ; then \ echo mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Making clean in prepar make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a ] ; then \ echo prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' Making clean in esp make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a ] ; then \ echo esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' Making clean in hessian make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Making clean in analytic make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' Making clean in dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ] ; then \ echo hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ] ; then \ echo hess_blas.o hess_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Making clean in selci make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt conf htoa if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a ] ; then \ echo iprtri.o prtri.o selci_icopy.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' Making clean in dplot make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a ] ; then \ echo dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' Making clean in mp2_grad make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a ] ; then \ echo mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Making clean in qhop make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a ] ; then \ echo qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' Making clean in property make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a ] ; then \ echo hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o ibo_localization.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' Making clean in solvation make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a ] ; then \ echo mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_lebedev.o cosmo_fibonacci.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o hnd_cosmo_lib.o hnd_coschg.o cosmo_thomson.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Making clean in nwpw make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Making clean in nwpwlib make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making clean in Parallel make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Making clean in D1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Making clean in D3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Making clean in Pneb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Making clean in K1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Making clean in C1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo C1dB.o C1dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Making clean in C3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Making clean in DMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Making clean in CMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Making clean in TMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Making clean in control make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Making clean in lattice make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Making clean in io make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Making clean in ion make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making clean in shake make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making clean in pseudopotential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Making clean in paw_atom make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Making clean in utilities make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making clean in paw_utilities make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making clean in unitcell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Making clean in brillouin_zone make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Making clean in fractional make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Making clean in linesearch make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Making clean in timing make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Making clean in ewald make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Making clean in thermostats make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Making clean in MetaDynamics make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Making clean in TAMD make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Making clean in FMM make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Making clean in md_xs make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making clean in FEFF6L make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making clean in nwpwxc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making clean in libraryps make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_library.o nwpw_libfile.o nwpw_set_library.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Making clean in pspw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Making clean in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making clean in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Making clean in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Making clean in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Making clean in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Making clean in exchange-correlation make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making clean in vdw-DF make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making clean in sic make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Making clean in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Making clean in ion make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Making clean in psp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Making clean in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Making clean in aorbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Making clean in truncating_function make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making clean in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Making clean in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Making clean in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Making clean in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Making clean in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making clean in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making clean in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Making clean in qmmm make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making clean in pspw_LJ make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Making clean in pspw_Q make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Making clean in pspw_Pair make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Making clean in mmq make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making clean in charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_charge.o pspw_efield.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Making clean in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Making clean in lcao make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Making clean in paw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Making clean in paw_geometry make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' Making clean in paw_ma make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Making clean in paw_utils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Making clean in paw_basis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Making clean in paw_proj make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Making clean in paw_matrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Making clean in paw_ovlp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Making clean in paw_comp_charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Making clean in paw_special_functions make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Making clean in paw_gaunt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Making clean in paw_kinetic make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Making clean in paw_vloc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Making clean in paw_ion_potential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Making clean in paw_core make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Making clean in paw_hartree make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Making clean in paw_comp_pot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Making clean in paw_mult make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Making clean in paw_nonlocal make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Making clean in paw_density make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Making clean in paw_xc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Making clean in paw_force make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Making clean in paw_Grsm_list make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Making clean in paw_psi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Making clean in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Making clean in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Making clean in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt rm: cannot remove 'paw_core': Is a directory if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[2]: [../../config/makelib.h:309: clean] Error 1 (ignored) make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Making clean in band make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making clean in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Making clean in structure make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Making clean in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Making clean in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Making clean in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Making clean in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Making clean in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making clean in cpsp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Making clean in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Making clean in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Making clean in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Making clean in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Making clean in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Making clean in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Making clean in borbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making clean in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Making clean in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' Making clean in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_APC.o band_atom_Efield.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making clean in ofpw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' Making clean in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Making clean in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Making clean in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' Making clean in chi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Making clean in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Making clean in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Making clean in WGC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a ] ; then \ echo nwpw_input.o nwpw_default.o nwpw_vectors_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' Making clean in fft make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' Making clean in pfft1.0 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making clean in fftpack make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ] ; then \ echo dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Making clean in pfft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making clean in pfftwrap make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' Making clean in python make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a ] ; then \ echo python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' Making clean in analyz make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a ] ; then \ echo ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' Making clean in nwmd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a ] ; then \ echo nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' Making clean in cafe make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a ] ; then \ echo cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' Making clean in space make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a ] ; then \ echo sp_init.o sp_main.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' Making clean in drdy make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a ] ; then \ echo atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' Making clean in vscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a ] ; then \ echo vscf_input.o vscf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' Making clean in qmmm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a ] ; then \ echo qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' Making clean in qmd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a ] ; then \ echo qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o qmd_ext.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' Making clean in etrans make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a ] ; then \ echo et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' Making clean in tce make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' Making clean in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' Making clean in diis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Making clean in diis2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Making clean in gradients make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Making clean in ccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Making clean in ccsd_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Making clean in eomccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Making clean in ccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Making clean in cr-eomccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Making clean in lrh make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Making clean in emb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Making clean in ccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Making clean in lccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Making clean in lccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Making clean in qcisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Making clean in cc3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Making clean in mbpt1 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Making clean in mbpt2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Making clean in mbpt3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Making clean in mbpt4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Making clean in cis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Making clean in cisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Making clean in cisdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Making clean in cisdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Making clean in ccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Making clean in eomccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Making clean in cr_eomccsd_t_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Making clean in sort make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Making clean in ducc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' Making clean in ucc4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Making clean in ccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Making clean in ccsdt_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Making clean in eomccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Making clean in ccsd_alpha make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Making clean in ccsd_beta make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Making clean in ccsd_yr make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Making clean in response make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' Making clean in bq make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making clean in mm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a ] ; then \ echo mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' Making clean in cons make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making clean in perfm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/openmpi-x86_64 -I/usr/lib64/openmpi/lib -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making clean in dntmc make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a ] ; then \ echo dntmc_input.o dntmc_setgeom.o gibbs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Making clean in dangchang make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a ] ; then \ echo dc_initialize.o dc_setgeom.o dc_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Making clean in ccca make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a ] ; then \ echo task_ccca.o ccca_utils.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' Making clean in dimqm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a ] ; then \ echo dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' Making clean in fcidump make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a ] ; then \ echo fcidump_inp.o task_fcidump.o fcidump_header.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' Making clean in gwmol make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a ] ; then \ echo gwmol.o ga_chol_inv_seq.o gw_input.o gw_defaults.o gw_init.o gw_finalize.o gw_memory.o gw_vxc.o gw_donewton.o gw_cdgw.o gw_cdgw_buildin.o gw_cdgw_newton.o gw_cdgw_graph.o gw_analytic.o gw_analytic_newton.o gw_analytic_graph.o gw_ri_init.o gw_invdiag.o gw_tools.o gw_analytic_wmn.o gw_analytic_sigmac.o gw_analytic_addrpa.o gw_analytic_ovscale.o gw_analytic_rpa.o gw_analytic_scalxpy.o gw_analytic_sigmac_graph.o gw_minres.o gw_cdgw_buildrn_graph.o gw_cdgw_buildiw.o gw_cdgw_buildin_graph.o gw_cdgw_buildpi.o gw_cdgw_buildrn_minres.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Making clean in 64to32blas make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a ] ; then \ echo yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o ysyevd.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ygels.o ygelss.o ygtsv.o ypftrf.o ypftri.o ytfsm.o ygetrf.o ygetri.o ygetrs.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o jgeev.o jgetrs.o jgetrf.o jlacpy.o ysfrk.o ysysv.o ysytrf.o ysytrs.o ysymm.o ysymv.o ysyr2k.o ytrmm.o ytrtri.o jlacp2.o ysyrk.o jsyrk.o jsysv.o jsytrf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' Making clean in config make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' /bin/rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x depend.o make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' + cd .. + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/3024772/exe ']' +++ /usr/bin/readlink /proc/3024772/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/openmpi-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + rm -rf src + cp -rp src.orig src + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/3024772/exe ']' +++ /usr/bin/readlink /proc/3024772/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/mpich-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + cd src + cp -p ../settings.sh ../compile_mpich.sh + echo export USE_MPI=y + echo export USE_MPIF=y + echo export USE_MPIF4=y + echo export MPIEXEC=/usr/lib64/mpich/bin/mpiexec + echo export LD_LIBRARY_PATH=/usr/lib64/mpich/lib + echo export EXTERNAL_GA_PATH=/usr/lib64/mpich + cat ../make.sh + /usr/bin/sed -i 's|.log|_mpich.log|g' ../compile_mpich.sh + cat ../compile_mpich.sh # see https://nwchemgit.github.io/Compiling-NWChem.html export NWCHEM_TARGET=LINUX64 export CC=gcc export FC=gfortran export USE_ARUR=TRUE export USE_NOFSCHECK=TRUE export USE_NOIO=TRUE export NWCHEM_FSCHECK=N export LARGE_FILES=TRUE export MRCC_THEORY=Y export EACCSD=Y export IPCCSD=Y export CCSDTQ=Y export CCSDTLR=Y export NWCHEM_LONG_PATHS=Y unset USE_LIBXC export LIBXC_LIB='/usr/lib64' export LIBXC_INCLUDE='/usr/include' export LIBXC_MODDIR='/usr/lib64/gfortran/modules' export NO_NWPWXC_VDW3A=1 export HAS_BLAS=yes export BLASOPT='-L/usr/lib64 -lflexiblas' export BLAS_SIZE='4' export LAPACK_LIB='-L/usr/lib64 -lflexiblas' export MAKE=/usr/bin/make export USE_MPI=y export USE_MPIF=y export USE_MPIF4=y export MPIEXEC=/usr/lib64/mpich/bin/mpiexec export LD_LIBRARY_PATH=/usr/lib64/mpich/lib export EXTERNAL_GA_PATH=/usr/lib64/mpich $MAKE nwchem_config NWCHEM_MODULES="all python" 2>&1 | tee ../make_nwchem_config_mpich.log $MAKE 64_to_32 2>&1 | tee ../make_64_to_32_mpich.log export MAKEOPTS="USE_64TO32=y" $MAKE ${MAKEOPTS} 2>&1 + sh ../compile_mpich.sh ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** /usr/bin/make -C config -f make_nwchem_config NWCHEM_MODULES="all python" make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all python" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all python" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** /usr/bin/make -C config -f make_nwchem_config NWCHEM_MODULES="all python" make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all python" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all python" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 ./util/util_nwchem_version.bash /usr/bin/which: no git in (/usr/lib64/mpich/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin) make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** rm -f 32_to_64 make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ /usr/bin/make -C $dir 64_to_32 || exit 1 ; \ done make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' Nothing to be done make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' ( cd /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config; /usr/bin/make /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x ; ) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' gcc -g -o /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 bas_blas.F bas_blasP.F basis.F converting bas_blas.F to 32-bit integers for BLAS/LAPACK converting bas_blasP.F to 32-bit integers for BLAS/LAPACK converting basis.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F geom_2d.F converting geom.F to 32-bit integers for BLAS/LAPACK converting geom_input.F to 32-bit integers for BLAS/LAPACK converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK converting geom_hnd.F to 32-bit integers for BLAS/LAPACK converting geom_3d.F to 32-bit integers for BLAS/LAPACK converting geom_getsym.F to 32-bit integers for BLAS/LAPACK converting geom_2d.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in hdbm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 task_num_grad.F task_bsse.F converting task_num_grad.F to 32-bit integers for BLAS/LAPACK converting task_bsse.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 sym_bs_irrep.F sym_g_sym.F sym_geom_prj.F sym_mo_adapt.F sym_op_clsfy.F sym_op_mtab.F sym_put_geom.F dosymops.F sym_abelian.F sym_bs_ir_id.F converting sym_bs_irrep.F to 32-bit integers for BLAS/LAPACK converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy.F to 32-bit integers for BLAS/LAPACK converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK converting dosymops.F to 32-bit integers for BLAS/LAPACK converting sym_abelian.F to 32-bit integers for BLAS/LAPACK converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 util.fh ga_it_lsolve.F ga_maxelt.F ga_mix.F ga_iter_diag.F ga_orthog.F dabsmax.F ga_normf.F corr_mk_ref.F ga_it2.F ga_lkain_ext.F util_file_name.F dgefa.f util_patch_test.F stpr_sjacobi.F util_dgeev.F util_test_cholesky.F dfill.F ga_lkain_2cpl3_ext.F ga_it2.F util_poltensor.F util_dpofa.F util_dgedi.F ma_solve.F zfill.f util_memcpy.c converting util.fh to 32-bit integers for BLAS/LAPACK converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK converting ga_mix.F to 32-bit integers for BLAS/LAPACK converting ga_iter_diag.F to 32-bit integers for BLAS/LAPACK converting ga_orthog.F to 32-bit integers for BLAS/LAPACK converting dabsmax.F to 32-bit integers for BLAS/LAPACK converting ga_normf.F to 32-bit integers for BLAS/LAPACK converting corr_mk_ref.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK converting util_file_name.F to 32-bit integers for BLAS/LAPACK converting dgefa.f to 32-bit integers for BLAS/LAPACK converting util_patch_test.F to 32-bit integers for BLAS/LAPACK converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK converting util_dgeev.F to 32-bit integers for BLAS/LAPACK converting util_test_cholesky.F to 32-bit integers for BLAS/LAPACK converting dfill.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_2cpl3_ext.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting util_poltensor.F to 32-bit integers for BLAS/LAPACK converting util_dpofa.F to 32-bit integers for BLAS/LAPACK converting util_dgedi.F to 32-bit integers for BLAS/LAPACK converting ma_solve.F to 32-bit integers for BLAS/LAPACK converting zfill.f to 32-bit integers for BLAS/LAPACK converting util_memcpy.c to 32-bit integers for BLAS/LAPACK Making 64_to_32 in md5 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' (cd ./src/c; /usr/bin/make 64_to_32) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 *c *f *F converting b_ortho.c to 32-bit integers for BLAS/LAPACK converting chol_bcst.c to 32-bit integers for BLAS/LAPACK converting choleski9.c to 32-bit integers for BLAS/LAPACK converting ci_entry.c to 32-bit integers for BLAS/LAPACK converting clustrf3.c to 32-bit integers for BLAS/LAPACK converting clustrf4.c to 32-bit integers for BLAS/LAPACK converting clustrf5.c to 32-bit integers for BLAS/LAPACK converting clustrfix.c to 32-bit integers for BLAS/LAPACK converting clustrxx3.c to 32-bit integers for BLAS/LAPACK converting clustrxx30.c to 32-bit integers for BLAS/LAPACK converting clustrxx31.c to 32-bit integers for BLAS/LAPACK converting clustrxx33.c to 32-bit integers for BLAS/LAPACK converting clustrxx4.c to 32-bit integers for BLAS/LAPACK converting clustrxx5.c to 32-bit integers for BLAS/LAPACK converting clustrxx99.c to 32-bit integers for BLAS/LAPACK converting conjug22.c to 32-bit integers for BLAS/LAPACK converting de_sym.c to 32-bit integers for BLAS/LAPACK converting exit.c to 32-bit integers for BLAS/LAPACK converting exit2.c to 32-bit integers for BLAS/LAPACK converting forLL.c to 32-bit integers for BLAS/LAPACK converting forLU.c to 32-bit integers for BLAS/LAPACK converting gmax.c to 32-bit integers for BLAS/LAPACK converting inv_it3.c to 32-bit integers for BLAS/LAPACK converting inv_it4.c to 32-bit integers for BLAS/LAPACK converting inv_it44.c to 32-bit integers for BLAS/LAPACK converting inv_it5.c to 32-bit integers for BLAS/LAPACK converting inv_it6.c to 32-bit integers for BLAS/LAPACK converting inverse.c to 32-bit integers for BLAS/LAPACK converting lu_mxm2.c to 32-bit integers for BLAS/LAPACK converting mapchk.c to 32-bit integers for BLAS/LAPACK converting mapdif.c to 32-bit integers for BLAS/LAPACK converting mapdif1.c to 32-bit integers for BLAS/LAPACK converting matmax.c to 32-bit integers for BLAS/LAPACK converting mdif2b.c to 32-bit integers for BLAS/LAPACK converting mdiff1.c to 32-bit integers for BLAS/LAPACK converting mdiff2.c to 32-bit integers for BLAS/LAPACK converting memreq.c to 32-bit integers for BLAS/LAPACK converting memreq2.c to 32-bit integers for BLAS/LAPACK converting memreq_eval.c to 32-bit integers for BLAS/LAPACK converting memreq_f.c to 32-bit integers for BLAS/LAPACK converting mgs4.c to 32-bit integers for BLAS/LAPACK converting mgs5.c to 32-bit integers for BLAS/LAPACK converting mgscs.c to 32-bit integers for BLAS/LAPACK converting mxm25.c to 32-bit integers for BLAS/LAPACK converting mxm5x.c to 32-bit integers for BLAS/LAPACK converting mxm88.c to 32-bit integers for BLAS/LAPACK converting mxm_ll1.c to 32-bit integers for BLAS/LAPACK converting onenorm.c to 32-bit integers for BLAS/LAPACK converting ortho.c to 32-bit integers for BLAS/LAPACK converting ortho2.c to 32-bit integers for BLAS/LAPACK converting pdcomplex.c to 32-bit integers for BLAS/LAPACK converting pdiff.c to 32-bit integers for BLAS/LAPACK converting pdspev_c.c to 32-bit integers for BLAS/LAPACK converting pdspeval.c to 32-bit integers for BLAS/LAPACK converting pdspevx.c to 32-bit integers for BLAS/LAPACK converting pdspgv_c.c to 32-bit integers for BLAS/LAPACK converting pdspgvx.c to 32-bit integers for BLAS/LAPACK converting pdsptri.c to 32-bit integers for BLAS/LAPACK converting pdsptri2.c to 32-bit integers for BLAS/LAPACK converting peigs_dlasq1.c to 32-bit integers for BLAS/LAPACK converting peigs_tldlfact.c to 32-bit integers for BLAS/LAPACK converting pgexit.c to 32-bit integers for BLAS/LAPACK converting pipe_fut.c to 32-bit integers for BLAS/LAPACK converting pmmLSL.c to 32-bit integers for BLAS/LAPACK converting pmmLUL.c to 32-bit integers for BLAS/LAPACK converting pmmlsl2.c to 32-bit integers for BLAS/LAPACK converting pscale.c to 32-bit integers for BLAS/LAPACK converting pstebz10.c to 32-bit integers for BLAS/LAPACK converting pstebz11.c to 32-bit integers for BLAS/LAPACK converting pstebz9.c to 32-bit integers for BLAS/LAPACK converting pstein3.c to 32-bit integers for BLAS/LAPACK converting pstein4.c to 32-bit integers for BLAS/LAPACK converting pstein44.c to 32-bit integers for BLAS/LAPACK converting pstein5.c to 32-bit integers for BLAS/LAPACK converting pxerbla.c to 32-bit integers for BLAS/LAPACK converting qsort.c to 32-bit integers for BLAS/LAPACK converting r_ritz.c to 32-bit integers for BLAS/LAPACK converting reducemap.c to 32-bit integers for BLAS/LAPACK converting resid.c to 32-bit integers for BLAS/LAPACK converting residual.c to 32-bit integers for BLAS/LAPACK converting sfnorm.c to 32-bit integers for BLAS/LAPACK converting shellsort.c to 32-bit integers for BLAS/LAPACK converting soluf.c to 32-bit integers for BLAS/LAPACK converting sonenorm.c to 32-bit integers for BLAS/LAPACK converting soort.c to 32-bit integers for BLAS/LAPACK converting sort.c to 32-bit integers for BLAS/LAPACK converting sorteig.c to 32-bit integers for BLAS/LAPACK converting tred22.c to 32-bit integers for BLAS/LAPACK converting treesort3.c to 32-bit integers for BLAS/LAPACK converting tresid.c to 32-bit integers for BLAS/LAPACK converting util.c to 32-bit integers for BLAS/LAPACK converting xerbla.c to 32-bit integers for BLAS/LAPACK converting peigs_cmod.f to 32-bit integers for BLAS/LAPACK converting gdot.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' (cd ./src/f77; /usr/bin/make 64_to_32) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 types.f inverm.F \ dgetavec.F dgetavec2.f dgetavec3.f dgetavec4.F \ dptsvx2.f converting types.f to 32-bit integers for BLAS/LAPACK converting inverm.F to 32-bit integers for BLAS/LAPACK converting dgetavec.F to 32-bit integers for BLAS/LAPACK converting dgetavec2.f to 32-bit integers for BLAS/LAPACK converting dgetavec3.f to 32-bit integers for BLAS/LAPACK converting dgetavec4.F to 32-bit integers for BLAS/LAPACK converting dptsvx2.f to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' (cd ./comm; /usr/bin/make 64_to_32) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 *h *F converting cmbbfr1.h to 32-bit integers for BLAS/LAPACK converting datasizes.h to 32-bit integers for BLAS/LAPACK converting defines.h to 32-bit integers for BLAS/LAPACK converting mxsubs.h to 32-bit integers for BLAS/LAPACK converting maxx.F to 32-bit integers for BLAS/LAPACK converting mxbrod.F to 32-bit integers for BLAS/LAPACK converting mxcombv1.F to 32-bit integers for BLAS/LAPACK converting mxsubs.F to 32-bit integers for BLAS/LAPACK converting peigs_dgop.F to 32-bit integers for BLAS/LAPACK converting sum.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' (cd ./ctof; /usr/bin/make 64_to_32) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 *c converting bortho_f.c to 32-bit integers for BLAS/LAPACK converting choleski_f.c to 32-bit integers for BLAS/LAPACK converting inverse_f.c to 32-bit integers for BLAS/LAPACK converting mxm25_f.c to 32-bit integers for BLAS/LAPACK converting mxm5x_f.c to 32-bit integers for BLAS/LAPACK converting mxm88_f.c to 32-bit integers for BLAS/LAPACK converting onenorm_f.c to 32-bit integers for BLAS/LAPACK converting ortho_f.c to 32-bit integers for BLAS/LAPACK converting pdspev_f.c to 32-bit integers for BLAS/LAPACK converting pdspevx_f.c to 32-bit integers for BLAS/LAPACK converting pdspgv_f.c to 32-bit integers for BLAS/LAPACK converting pdspgvx_f.c to 32-bit integers for BLAS/LAPACK converting pdsptri_f.c to 32-bit integers for BLAS/LAPACK converting resid_f.c to 32-bit integers for BLAS/LAPACK converting residual_f.c to 32-bit integers for BLAS/LAPACK converting sonenorm_f.c to 32-bit integers for BLAS/LAPACK converting tresid_f.c to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' (cd ./h; /usr/bin/make 64_to_32) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/h' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 blas_lapack.h peigs_types.h converting blas_lapack.h to 32-bit integers for BLAS/LAPACK converting peigs_types.h to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/h' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in simint make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in module make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Making 64_to_32 in source make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making 64_to_32 in api make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 int_1e3ov.F int_hf1sp.F int_lgen1e.F intb_2e4c.F intbd_2e4c.F intd_1e3ov.F intd_1eh1.F intd_2e2c.F intd_2e4c.F intd_mpolel.F intp_txyz.F intpd_mpolel.F intbdd_2e4c.F int_2e4c.F intdd_2e2c.F intdd_2e3c.F intd_2e3c.F intdd_2e4c.F intd_1epot.F intd_1epot_cosmo.F intpd_1eov.F intpd_2e3c.F intpd_1eke.F intpd_2e2c.F intpd_2e3ct.F converting int_1e3ov.F to 32-bit integers for BLAS/LAPACK converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK converting intbd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intp_txyz.F to 32-bit integers for BLAS/LAPACK converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intbdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting int_2e4c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1epot.F to 32-bit integers for BLAS/LAPACK converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK converting intpd_1eov.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3ct.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Making 64_to_32 in int make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hf2oi.f hfkei.f hfnai.f hfnai_er.F hf2.F igamma.F hferi.F hf1.F hf1mke3.f converting hf2oi.f to 32-bit integers for BLAS/LAPACK converting hfkei.f to 32-bit integers for BLAS/LAPACK converting hfnai.f to 32-bit integers for BLAS/LAPACK converting hfnai_er.F to 32-bit integers for BLAS/LAPACK converting hf2.F to 32-bit integers for BLAS/LAPACK converting igamma.F to 32-bit integers for BLAS/LAPACK converting hferi.F to 32-bit integers for BLAS/LAPACK converting hf1.F to 32-bit integers for BLAS/LAPACK converting hf1mke3.f to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Making 64_to_32 in auxil make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 int_spcart.F spherical.F xlm_norm.F xlmcoeff.F int_norm_2c.F int_spcart2.F converting int_spcart.F to 32-bit integers for BLAS/LAPACK converting spherical.F to 32-bit integers for BLAS/LAPACK converting xlm_norm.F to 32-bit integers for BLAS/LAPACK converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK converting int_norm_2c.F to 32-bit integers for BLAS/LAPACK converting int_spcart2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Making 64_to_32 in ints_sp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 sp1111.F converting sp1111.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Making 64_to_32 in deriv make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hf1PRtoAB.f hf1d.F hf2PRtoAB.f hf2QStoCD.f hf2d.F hf2d_2a.F hf2d_2a2b.F hf2d_2b.F hf2d_3a.F hf2d_3a2b.F hfd3oi.F hf2d_all.F hfderi.F hf1d_cosmo.F converting hf1PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf1d.F to 32-bit integers for BLAS/LAPACK converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK converting hf2d.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK converting hfd3oi.F to 32-bit integers for BLAS/LAPACK converting hf2d_all.F to 32-bit integers for BLAS/LAPACK converting hfderi.F to 32-bit integers for BLAS/LAPACK converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Making 64_to_32 in texas make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 amshift.F big_service.F trobsa.F getmem.F converting amshift.F to 32-bit integers for BLAS/LAPACK converting big_service.F to 32-bit integers for BLAS/LAPACK converting trobsa.F to 32-bit integers for BLAS/LAPACK converting getmem.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Making 64_to_32 in ecp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ecp_bess_pow.f ecp_cart_xpd.F ecp_cstrans.F ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F ecp_int0.F ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F ecp_local2.F ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q3asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t1_Q3pow.F ecp_t2_p0pow.F ecp_t2_p1pow.F ecp_t2_p3pow.F ecp_t2_p4pow.F ecp_skipint.F int_ecp.F converting ecp_bess_pow.f to 32-bit integers for BLAS/LAPACK converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_b.F to 32-bit integers for BLAS/LAPACK converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK converting ecp_int0.F to 32-bit integers for BLAS/LAPACK converting ecp_int1.F to 32-bit integers for BLAS/LAPACK converting ecp_int2.F to 32-bit integers for BLAS/LAPACK converting ecp_integral.F to 32-bit integers for BLAS/LAPACK converting ecp_local0.F to 32-bit integers for BLAS/LAPACK converting ecp_local1.F to 32-bit integers for BLAS/LAPACK converting ecp_local2.F to 32-bit integers for BLAS/LAPACK converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK converting ecp_radint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p4pow.F to 32-bit integers for BLAS/LAPACK converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK converting int_ecp.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Making 64_to_32 in hondo make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hnd_stvint.F hnd_stvintd.F hnd_stvintdd.F hnd_elfder.F hnd_pso.F hnd_ops.F hnd_dso.F hnd_giaoh11.F hnd_giaoh01.F hnd_giaotv10.F hnd_giaobq10.F hnd_giaol10.F hnd_giaos10.F hnd_giaos100.F hnd_vstat.F hnd_veloc.F hnd_dipder.F hnd_angmom.F hnd_dipvel.F hnd_giahnd.F converting hnd_stvint.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK converting hnd_pso.F to 32-bit integers for BLAS/LAPACK converting hnd_ops.F to 32-bit integers for BLAS/LAPACK converting hnd_dso.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK converting hnd_giaotv10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos100.F to 32-bit integers for BLAS/LAPACK converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK converting hnd_angmom.F to 32-bit integers for BLAS/LAPACK converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Making 64_to_32 in rel make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 rel_onel.F rel_oneld.F rel_mpole.F rel_2e4c_sf.F rel_LLSS.F rel_SSLL.F rel_SSSS.F rel_2e4cd_sf.F rel_LLSSd.F rel_SSLLd.F rel_SSSSd.F rel_pot.F rel_oneld_cosmo.F rel_pot2.F converting rel_onel.F to 32-bit integers for BLAS/LAPACK converting rel_oneld.F to 32-bit integers for BLAS/LAPACK converting rel_mpole.F to 32-bit integers for BLAS/LAPACK converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSS.F to 32-bit integers for BLAS/LAPACK converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSSd.F to 32-bit integers for BLAS/LAPACK converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK converting rel_pot.F to 32-bit integers for BLAS/LAPACK converting rel_oneld_cosmo.F to 32-bit integers for BLAS/LAPACK converting rel_pot2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Making 64_to_32 in dk make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 int_1edk_ga.F int_1edkso_ga.F converting int_1edk_ga.F to 32-bit integers for BLAS/LAPACK converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 atomd.F atscf_atscf.F atscf_ecp.F converting atomd.F to 32-bit integers for BLAS/LAPACK converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F cosmo_fock.F converting ao_fock_2e.F to 32-bit integers for BLAS/LAPACK converting ao_replicated.F to 32-bit integers for BLAS/LAPACK converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK converting int2e_file.F to 32-bit integers for BLAS/LAPACK converting movecs_lock.F to 32-bit integers for BLAS/LAPACK converting movecs_phase.F to 32-bit integers for BLAS/LAPACK converting riscf_fock.F to 32-bit integers for BLAS/LAPACK converting riscf_trans.F to 32-bit integers for BLAS/LAPACK converting rohf_diis.F to 32-bit integers for BLAS/LAPACK converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK converting scf_movecs.F to 32-bit integers for BLAS/LAPACK converting scf_vec_guess.F to 32-bit integers for BLAS/LAPACK converting uhf.F to 32-bit integers for BLAS/LAPACK converting movecs_frag.F to 32-bit integers for BLAS/LAPACK converting localize.F to 32-bit integers for BLAS/LAPACK converting fock_2e.F to 32-bit integers for BLAS/LAPACK converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK converting vectors.F to 32-bit integers for BLAS/LAPACK converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK converting cosmo_fock.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in fast make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 potential.F pot_shell.F fmm.F newfmm.F testfmm.F cart_trans.F xlm_poles.F fastj.F solver.F cheby.F converting potential.F to 32-bit integers for BLAS/LAPACK converting pot_shell.F to 32-bit integers for BLAS/LAPACK converting fmm.F to 32-bit integers for BLAS/LAPACK converting newfmm.F to 32-bit integers for BLAS/LAPACK converting testfmm.F to 32-bit integers for BLAS/LAPACK converting cart_trans.F to 32-bit integers for BLAS/LAPACK converting xlm_poles.F to 32-bit integers for BLAS/LAPACK converting fastj.F to 32-bit integers for BLAS/LAPACK converting solver.F to 32-bit integers for BLAS/LAPACK converting cheby.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 grad2.F ga_reorder.F grad_dens.F converting grad2.F to 32-bit integers for BLAS/LAPACK converting ga_reorder.F to 32-bit integers for BLAS/LAPACK converting grad_dens.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 moints_2x.F moints_6x.F moints_aux2.F moints_ccsd.F moints_full.F moints_semi.F sifs0.F sifs1.F converting moints_2x.F to 32-bit integers for BLAS/LAPACK converting moints_6x.F to 32-bit integers for BLAS/LAPACK converting moints_aux2.F to 32-bit integers for BLAS/LAPACK converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK converting moints_full.F to 32-bit integers for BLAS/LAPACK converting moints_semi.F to 32-bit integers for BLAS/LAPACK converting sifs0.F to 32-bit integers for BLAS/LAPACK converting sifs1.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./include -I./grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 xc_vwn_a.fh converting xc_vwn_a.fh to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' Making 64_to_32 in input_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Making 64_to_32 in scf_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F dft_diagn.F dft_spinflip.F dft_pstat.F converting dft_mxovl.F to 32-bit integers for BLAS/LAPACK converting diis_bld12.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK converting dft_densm.F to 32-bit integers for BLAS/LAPACK converting dft_swapab.F to 32-bit integers for BLAS/LAPACK converting dft_canorg.F to 32-bit integers for BLAS/LAPACK converting cdft_util.F to 32-bit integers for BLAS/LAPACK converting dft_diagn.F to 32-bit integers for BLAS/LAPACK converting dft_spinflip.F to 32-bit integers for BLAS/LAPACK converting dft_pstat.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Making 64_to_32 in scf_dft_cg make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Making 64_to_32 in so_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dft_mxovlso.F diis_bld12_so.F diis_bsolve_so.F sym_mo_adapt_so.F sym_op_clsfy_so.F dft_scf_so.F ga_orthog_so.F dft_scf_utils_so.F dft_densmso.F converting dft_mxovlso.F to 32-bit integers for BLAS/LAPACK converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK converting dft_densmso.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Making 64_to_32 in coulomb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dft_fitcd.F dft_fitvc.F dft_genspm.F dft_3cincor.F dft_get2eri.F converting dft_fitcd.F to 32-bit integers for BLAS/LAPACK converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK converting dft_genspm.F to 32-bit integers for BLAS/LAPACK converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK converting dft_get2eri.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Making 64_to_32 in xc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /usr/lib64/mpich/include/ga-wapi.h: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cat: /usr/lib64/mpich/include/ga-wapi.h: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 xc_fitv.F xc_dirac.F xc_bnl.F xc_att_xc.F xc_tabcd.F xc_rhogen.F xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F xc_replicated.F xc_vdw_main.F xc_vdw_util.F xc_3rd_deriv.F xc_hcth.F ts_tf.F xc_xn12.F xc_util.F xc_tabcd_adft.F xc_rhogen_adft.F xc_getvxc.F xc_lb94.F converting xc_fitv.F to 32-bit integers for BLAS/LAPACK converting xc_dirac.F to 32-bit integers for BLAS/LAPACK converting xc_bnl.F to 32-bit integers for BLAS/LAPACK converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK converting xc_oep.F to 32-bit integers for BLAS/LAPACK converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK converting xc_sic.F to 32-bit integers for BLAS/LAPACK converting localize_sic.F to 32-bit integers for BLAS/LAPACK converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK converting xc_fd.F to 32-bit integers for BLAS/LAPACK converting xc_optc.F to 32-bit integers for BLAS/LAPACK converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK converting scat_mat.F to 32-bit integers for BLAS/LAPACK converting xc_replicated.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK converting xc_hcth.F to 32-bit integers for BLAS/LAPACK converting ts_tf.F to 32-bit integers for BLAS/LAPACK converting xc_xn12.F to 32-bit integers for BLAS/LAPACK converting xc_util.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd_adft.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen_adft.F to 32-bit integers for BLAS/LAPACK converting xc_getvxc.F to 32-bit integers for BLAS/LAPACK converting xc_lb94.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' Making 64_to_32 in util make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ga_chol_seq.F ga_inv_seq.F int_1e_fde.F dft_utilmap.F converting ga_chol_seq.F to 32-bit integers for BLAS/LAPACK converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK converting int_1e_fde.F to 32-bit integers for BLAS/LAPACK converting dft_utilmap.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Making 64_to_32 in grid make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 grid_invariant.F grid_beckew.F grid_file.F grid_setspac.F grid_quadv0a.F grid_quadv0b.F grid_quadvw.F grid_tasks.F grid_pscreen.F grid_quadvw1.F grid_xcfit.F grid_sympts.F grid_ssw.F grid_finpts.F grid_ylm.F grid_eaf.F converting grid_invariant.F to 32-bit integers for BLAS/LAPACK converting grid_beckew.F to 32-bit integers for BLAS/LAPACK converting grid_file.F to 32-bit integers for BLAS/LAPACK converting grid_setspac.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0a.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK converting grid_tasks.F to 32-bit integers for BLAS/LAPACK converting grid_pscreen.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK converting grid_sympts.F to 32-bit integers for BLAS/LAPACK converting grid_ssw.F to 32-bit integers for BLAS/LAPACK converting grid_finpts.F to 32-bit integers for BLAS/LAPACK converting grid_ylm.F to 32-bit integers for BLAS/LAPACK converting grid_eaf.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Making 64_to_32 in dftgrad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dftg_cdfit.F dftg_quadv0b.F dftg_wderiv.F j_nucder_gen.F dft_gradients.F dftg_gridv0a.F dftg_gridv0b.F dftg_quadv0b_adft.F converting dftg_cdfit.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK converting dft_gradients.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b_adft.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Making 64_to_32 in lr_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tddft_diagon.F tddft_transfm.F tddft_analysis.F tddft_restart.F tddft_civecs_phase.F tddft_fock_fit.F tddft_memory.F converting tddft_diagon.F to 32-bit integers for BLAS/LAPACK converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK converting tddft_analysis.F to 32-bit integers for BLAS/LAPACK converting tddft_restart.F to 32-bit integers for BLAS/LAPACK converting tddft_civecs_phase.F to 32-bit integers for BLAS/LAPACK converting tddft_fock_fit.F to 32-bit integers for BLAS/LAPACK converting tddft_memory.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Making 64_to_32 in lr_tddft_grad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tddft_grad_gxc.F tddft_grad_compute_w.F tddft_grad_dxcdmat.F tddft_grad_dfxc.F tddft_grad_quadv0b.F tddft_grad_dvxc.F tddft_grad_compute_g.F converting tddft_grad_gxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dfxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_quadv0b.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_g.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Making 64_to_32 in zora make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F dft_zora_utils_so.F zora_getv_HFine.F converting dft_zora_NMR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_Hyperfine.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK converting dft_zora_utils_so.F to 32-bit integers for BLAS/LAPACK converting zora_getv_HFine.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Making 64_to_32 in spec make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dft_polfromsos.F converting dft_polfromsos.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Making 64_to_32 in rt_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in matutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 zmat_diag.F zmat_inv.F converting zmat_diag.F to 32-bit integers for BLAS/LAPACK converting zmat_inv.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Making 64_to_32 in rtutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Making 64_to_32 in input make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Making 64_to_32 in init make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Making 64_to_32 in canorg make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Making 64_to_32 in propagators make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Making 64_to_32 in closedshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Making 64_to_32 in openshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Making 64_to_32 in libxc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib64/gfortran/modules -I. -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nwchem_libxc_compute.F converting nwchem_libxc_compute.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' Making 64_to_32 in x2c make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dgecop.F eval_3ci.F rimp2_v_e2.F xf3ci_s12a.F xf3ci_s12b.F converting dgecop.F to 32-bit integers for BLAS/LAPACK converting eval_3ci.F to 32-bit integers for BLAS/LAPACK converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12b.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F converting stpr_driver.F to 32-bit integers for BLAS/LAPACK converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK converting stpr_partit.F to 32-bit integers for BLAS/LAPACK converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F socket_driver.F converting opt_drv.F to 32-bit integers for BLAS/LAPACK converting oniom.F to 32-bit integers for BLAS/LAPACK converting lbfgs.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b_driver.F to 32-bit integers for BLAS/LAPACK converting socket_driver.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in deloc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Making 64_to_32 in mepgs make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mepgs_drv.F converting mepgs_drv.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Making 64_to_32 in tropt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tropt_drv.F converting tropt_drv.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Making 64_to_32 in neb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 neb_drv.F neb_utils.F bead_list.F neb_input.F converting neb_drv.F to 32-bit integers for BLAS/LAPACK converting neb_utils.F to 32-bit integers for BLAS/LAPACK converting bead_list.F to 32-bit integers for BLAS/LAPACK converting neb_input.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Making 64_to_32 in string make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 string.F converting string.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_itm.F ccsd_itm_omp.F ccsd_t2pm.F ccsd_iterdrv2.F ccsd_pampt2.F ccsd_pampt3.F ccsd_idx1.F ccsd_idx2.F ccsd_idx34.F ccsd_pdiis.F ccsd_sortmo.F ccsd_trpdrv.F ccsd_trpdrv_nb.F ccsd_trpdrv_omp.F ccsd_trpdrv_omp_mixprec.F moints_trp.F ccsd_zvecs.F ccsd_z2pm.F ccsd_tzinta.F ccsd_tzintb.F ccsd_zsig1.F ccsd_zsig2.F ccden_interm2.F ccden_1pdm.F geaxpy.F ccsd_mktau_ga.F ccden_2pdmb.F aoccsd2.F ccsd_fsig1.F ccsd_fsig2.F ccsd_trpdrv_bgp2.F ccsd_trpdrv_offload.F ccsd_trpdrv_openacc.F moints_trp.F converting ccsd_itm.F to 32-bit integers for BLAS/LAPACK converting ccsd_itm_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_iterdrv2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx1.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx2.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx34.F to 32-bit integers for BLAS/LAPACK converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK converting ccsd_sortmo.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_nb.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp_mixprec.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvecs.F to 32-bit integers for BLAS/LAPACK converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK converting geaxpy.F to 32-bit integers for BLAS/LAPACK converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK converting aoccsd2.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_bgp2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_offload.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_openacc.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 vib_eckart.F vib_hmass.F vib_intense.F vib_nmass.F vib_tors.F vib_vib.F vib_wrtfreq.F vib_istep.F vib_thermo.F vib_phonon.F converting vib_eckart.F to 32-bit integers for BLAS/LAPACK converting vib_hmass.F to 32-bit integers for BLAS/LAPACK converting vib_intense.F to 32-bit integers for BLAS/LAPACK converting vib_nmass.F to 32-bit integers for BLAS/LAPACK converting vib_tors.F to 32-bit integers for BLAS/LAPACK converting vib_vib.F to 32-bit integers for BLAS/LAPACK converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK converting vib_istep.F to 32-bit integers for BLAS/LAPACK converting vib_thermo.F to 32-bit integers for BLAS/LAPACK converting vib_phonon.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F mcscf.F converting hmat.F to 32-bit integers for BLAS/LAPACK converting mcscf_aux.F to 32-bit integers for BLAS/LAPACK converting mcscf_b.F to 32-bit integers for BLAS/LAPACK converting mcscf_debug.F to 32-bit integers for BLAS/LAPACK converting mcscf_fock.F to 32-bit integers for BLAS/LAPACK converting mcscf_ohvmo.F to 32-bit integers for BLAS/LAPACK converting mcscf_orb.F to 32-bit integers for BLAS/LAPACK converting mcscf_prcnd.F to 32-bit integers for BLAS/LAPACK converting mcscf.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in detci make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 detci_aux.F detci_dens.F detci_diag.F detci_sigma.F detci_spin.F converting detci_aux.F to 32-bit integers for BLAS/LAPACK converting detci_dens.F to 32-bit integers for BLAS/LAPACK converting detci_diag.F to 32-bit integers for BLAS/LAPACK converting detci_sigma.F to 32-bit integers for BLAS/LAPACK converting detci_spin.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 esp_esp.F esp_denmat.F converting esp_esp.F to 32-bit integers for BLAS/LAPACK converting esp_denmat.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hess_blas.F converting hess_blas.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in analytic make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 onedd_calc.F hess_restart.F shell_fock_build.F shell_fock_build_cam.F twodd_cont.F converting onedd_calc.F to 32-bit integers for BLAS/LAPACK converting hess_restart.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK converting twodd_cont.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 xc_cpks_coeff.F xc_d2expl.F xc_nucder_gen.F converting xc_cpks_coeff.F to 32-bit integers for BLAS/LAPACK converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 davids.F fcidim.F makeh.F makehs.F makhdb.F tester.F selci_hpp.F couple.c converting davids.F to 32-bit integers for BLAS/LAPACK converting fcidim.F to 32-bit integers for BLAS/LAPACK converting makeh.F to 32-bit integers for BLAS/LAPACK converting makehs.F to 32-bit integers for BLAS/LAPACK converting makhdb.F to 32-bit integers for BLAS/LAPACK converting tester.F to 32-bit integers for BLAS/LAPACK converting selci_hpp.F to 32-bit integers for BLAS/LAPACK converting couple.c to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dplot.F dmat.F create_contour.F get_charges.F dplot_dos.F converting dplot.F to 32-bit integers for BLAS/LAPACK converting dmat.F to 32-bit integers for BLAS/LAPACK converting create_contour.F to 32-bit integers for BLAS/LAPACK converting get_charges.F to 32-bit integers for BLAS/LAPACK converting dplot_dos.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mp2_energy.F mp2_lai_uhf.F mp2_make_tuhf.F mp2_pijab_uhf.F mp2_wai_uhf.F mp2_wijab_uhf.F mp2_back_transform.F mp2_read_tiajb.F converting mp2_energy.F to 32-bit integers for BLAS/LAPACK converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F hnd_eldmap_grid.F ibo_localization.F converting hnd_elfcon.F to 32-bit integers for BLAS/LAPACK converting wnbofile.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK converting hnd_mulken.F to 32-bit integers for BLAS/LAPACK converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK converting giaofock.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK converting raman.F to 32-bit integers for BLAS/LAPACK converting hnd_efgmap_z4.F to 32-bit integers for BLAS/LAPACK converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK converting wshldfile.F to 32-bit integers for BLAS/LAPACK converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK converting whypfile.F to 32-bit integers for BLAS/LAPACK converting wefgfile.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK converting wgshiftfile.F to 32-bit integers for BLAS/LAPACK converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK converting hnd_eldmap_grid.F to 32-bit integers for BLAS/LAPACK converting ibo_localization.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 hnd_cosmo_lib.F cosmo_lebedev.F cosmo_thomson.F grad_hnd_cos.F hnd_coschg.F converting hnd_cosmo_lib.F to 32-bit integers for BLAS/LAPACK converting cosmo_lebedev.F to 32-bit integers for BLAS/LAPACK converting cosmo_thomson.F to 32-bit integers for BLAS/LAPACK converting grad_hnd_cos.F to 32-bit integers for BLAS/LAPACK converting hnd_coschg.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies USE_OPENMP undefined USE_OPENMP undefined Making 64_to_32 in nwpwlib make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in Parallel make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 Parallel-mpi.F Parallel.F converting Parallel-mpi.F to 32-bit integers for BLAS/LAPACK converting Parallel.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Making 64_to_32 in D1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 D1dB-mpi.F D1dBs-mpi.F Dne.F skew.F Dne_omp.F Dnex.F converting D1dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D1dBs-mpi.F to 32-bit integers for BLAS/LAPACK converting Dne.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting Dne_omp.F to 32-bit integers for BLAS/LAPACK converting Dnex.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Making 64_to_32 in D3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 D3dB-new.F D3dB_pfft.F D3dB-mpi.F D3dB-tcgmsg.F D3dBs-new.F D3dBs_pfft.F D3dBs-mpi.F converting D3dB-new.F to 32-bit integers for BLAS/LAPACK converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting D3dBs-new.F to 32-bit integers for BLAS/LAPACK converting D3dBs_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dBs-mpi.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Making 64_to_32 in Pneb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 Pneb.F converting Pneb.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Making 64_to_32 in K1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 K1dB-mpi.F converting K1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Making 64_to_32 in C1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 C1dB-mpi.F converting C1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Making 64_to_32 in C3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 C3dB-new.F C3dB_pfft.F C3dB-tcgmsg.F C3dB-mpi.F converting C3dB-new.F to 32-bit integers for BLAS/LAPACK converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Making 64_to_32 in DMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 DMatrix-mpi.F DMatrix.F DMatrix-tcgmsg.F converting DMatrix-mpi.F to 32-bit integers for BLAS/LAPACK converting DMatrix.F to 32-bit integers for BLAS/LAPACK converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Making 64_to_32 in CMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 CMatrix.F CMatrix-tcgmsg.F CMatrix-mpi.F converting CMatrix.F to 32-bit integers for BLAS/LAPACK converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Making 64_to_32 in TMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 dgemm_omp.F sgemm_omp.F ffm_multiply_omp_group.F zgemm_omp.F ffw_multiply_omp_group.F converting dgemm_omp.F to 32-bit integers for BLAS/LAPACK converting sgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffm_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK converting zgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffw_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Making 64_to_32 in control make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 control.F converting control.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Making 64_to_32 in lattice make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 lattice.f pack.F G_init.F cram.F c_G_init.F converting lattice.f to 32-bit integers for BLAS/LAPACK converting pack.F to 32-bit integers for BLAS/LAPACK converting G_init.F to 32-bit integers for BLAS/LAPACK converting cram.F to 32-bit integers for BLAS/LAPACK converting c_G_init.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Making 64_to_32 in io make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Making 64_to_32 in ion make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ion.F fcoord.f incell1.f incell2.f incell3.f unfold.f seperate_molpsp.F seperate_pointcharge.F ion_FixIon.F ion_scaling_atoms.F converting ion.F to 32-bit integers for BLAS/LAPACK converting fcoord.f to 32-bit integers for BLAS/LAPACK converting incell1.f to 32-bit integers for BLAS/LAPACK converting incell2.f to 32-bit integers for BLAS/LAPACK converting incell3.f to 32-bit integers for BLAS/LAPACK converting unfold.f to 32-bit integers for BLAS/LAPACK converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK converting ion_FixIon.F to 32-bit integers for BLAS/LAPACK converting ion_scaling_atoms.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in shake make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 molecular.F converting molecular.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making 64_to_32 in pseudopotential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in paw_atom make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Making 64_to_32 in utilities make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 auto_corr.F matrix.f nwpw_scf_mixing.F kerker_G.F cell.F cellgeometry.F nwpw_list.F cpsi_data.F psi_data.F nwpw_diis.F nwpw_kain.F nwpw_matrix_invert.F generate_unfolded_xyz.F nwpw_fftpack3d.F nwpw_kbpp_ray.F paw_utilities/nwpw_compcharge2.F task_paulsmatrix.F converting auto_corr.F to 32-bit integers for BLAS/LAPACK converting matrix.f to 32-bit integers for BLAS/LAPACK converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK converting kerker_G.F to 32-bit integers for BLAS/LAPACK converting cell.F to 32-bit integers for BLAS/LAPACK converting cellgeometry.F to 32-bit integers for BLAS/LAPACK converting nwpw_list.F to 32-bit integers for BLAS/LAPACK converting cpsi_data.F to 32-bit integers for BLAS/LAPACK converting psi_data.F to 32-bit integers for BLAS/LAPACK converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK converting generate_unfolded_xyz.F to 32-bit integers for BLAS/LAPACK converting nwpw_fftpack3d.F to 32-bit integers for BLAS/LAPACK converting nwpw_kbpp_ray.F to 32-bit integers for BLAS/LAPACK converting paw_utilities/nwpw_compcharge2.F to 32-bit integers for BLAS/LAPACK converting task_paulsmatrix.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in paw_utilities make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nwpw_gaunt.F nwpw_compcharge.F nwpw_xc.F nwpw_gintegrals.F nwpw_gintegrals2.F nwpw_gintegrals3.F converting nwpw_gaunt.F to 32-bit integers for BLAS/LAPACK converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals2.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making 64_to_32 in unitcell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Making 64_to_32 in brillouin_zone make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Making 64_to_32 in fractional make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 fractional.F frac_occ.F converting fractional.F to 32-bit integers for BLAS/LAPACK converting frac_occ.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Making 64_to_32 in linesearch make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Making 64_to_32 in timing make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nwpw_timing.F converting nwpw_timing.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Making 64_to_32 in ewald make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ewald.F ewald_strfac.F converting ewald.F to 32-bit integers for BLAS/LAPACK converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Making 64_to_32 in thermostats make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nose-hoover.F converting nose-hoover.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Making 64_to_32 in MetaDynamics make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 metadynamics.F converting metadynamics.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Making 64_to_32 in TAMD make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tamd.F converting tamd.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Making 64_to_32 in FMM make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 fmm.F converting fmm.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Making 64_to_32 in md_xs make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 md_xs.F converting md_xs.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in FEFF6L make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making 64_to_32 in nwpwxc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nwpwxc_vdw3c.F nwpwxc_eval.F nwpwxc_c_vwn_a.fh converting nwpwxc_vdw3c.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_eval.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_c_vwn_a.fh to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making 64_to_32 in libraryps make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Making 64_to_32 in pspw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 psi.F geodesic.F geodesic2.F Grassman.F dipole.F psi_history.F skew.F geodesic1.F berry_phase_pol.F psi_dmatrix.F rho_symmetrizer.F polarizability.F dipole.F dipole_efield.F converting psi.F to 32-bit integers for BLAS/LAPACK converting geodesic.F to 32-bit integers for BLAS/LAPACK converting geodesic2.F to 32-bit integers for BLAS/LAPACK converting Grassman.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting psi_history.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting geodesic1.F to 32-bit integers for BLAS/LAPACK converting berry_phase_pol.F to 32-bit integers for BLAS/LAPACK converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK converting rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK converting polarizability.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting dipole_efield.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Making 64_to_32 in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 electron.F psi_H.F psi_Hv4.F converting electron.F to 32-bit integers for BLAS/LAPACK converting psi_H.F to 32-bit integers for BLAS/LAPACK converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Making 64_to_32 in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ke.F converting ke.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Making 64_to_32 in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 coulomb.F coulomb2.F coulomb_screened.F coulomb_screened_small.F converting coulomb.F to 32-bit integers for BLAS/LAPACK converting coulomb2.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened_small.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Making 64_to_32 in exchange-correlation make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 v_bwexc_euv.F v_bwexc.F nwpw_meta_gga.F v_mexc.F converting v_bwexc_euv.F to 32-bit integers for BLAS/LAPACK converting v_bwexc.F to 32-bit integers for BLAS/LAPACK converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK converting v_mexc.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in vdw-DF make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 vdw-DF.F vdw_DF_kernel.F converting vdw-DF.F to 32-bit integers for BLAS/LAPACK converting vdw_DF_kernel.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making 64_to_32 in sic make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_sic.F converting pspw_sic.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Making 64_to_32 in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_hfx.F pspw_shfx.F pspw_hfx_localized.F converting pspw_hfx.F to 32-bit integers for BLAS/LAPACK converting pspw_shfx.F to 32-bit integers for BLAS/LAPACK converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Making 64_to_32 in ion make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Making 64_to_32 in psp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 psp.F psp_olddebug.F paw.F semicore.F semicore_force.F psp_stress.F semicore_force_a.F semicore_force_b.F psp_U.F psp_ld.F converting psp.F to 32-bit integers for BLAS/LAPACK converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK converting paw.F to 32-bit integers for BLAS/LAPACK converting semicore.F to 32-bit integers for BLAS/LAPACK converting semicore_force.F to 32-bit integers for BLAS/LAPACK converting psp_stress.F to 32-bit integers for BLAS/LAPACK converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting psp_U.F to 32-bit integers for BLAS/LAPACK converting psp_ld.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Making 64_to_32 in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_lmbfgs.F pspw_lmbfgs2.F pspw_diis.F pspw_Grsm_list.F pspw_rmmdiis.F converting pspw_lmbfgs.F to 32-bit integers for BLAS/LAPACK converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK converting pspw_diis.F to 32-bit integers for BLAS/LAPACK converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting pspw_rmmdiis.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Making 64_to_32 in aorbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 aorbs.F converting aorbs.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Making 64_to_32 in truncating_function make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 truncating_function.F converting truncating_function.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making 64_to_32 in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 setup_kbpp.f integrate_kbppv3.f integrate_kbppv3d.f integrate_kbpp_orb.F integrate_stress.F integrate_d_stress.F HGH_local.F HGH_nonlocal.F Tesseral.F hghppv1.F pawppv1.F integrate_kbppv3d_new.f integrate_kbppv3_new.f integrate_d_stress_new.F integrate_pawppv1.F junk.f integrate_kbppv3_ray.f integrate_stress_new.F integrate_stress_ray.F integrate_paw_ray.F integrate_kbppv3e.f integrate_kbppv3e_new.f integrate_kbppv3e_ray.f kbppv3e_stress.F integrate_e_stress.F integrate_e_stress_new.F integrate_e_stress_ray.F kbppv3d.F converting setup_kbpp.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK converting integrate_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK converting HGH_local.F to 32-bit integers for BLAS/LAPACK converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral.F to 32-bit integers for BLAS/LAPACK converting hghppv1.F to 32-bit integers for BLAS/LAPACK converting pawppv1.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_new.f to 32-bit integers for BLAS/LAPACK converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK converting junk.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_ray.f to 32-bit integers for BLAS/LAPACK converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK converting kbppv3d.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Making 64_to_32 in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 wvfnc_init.F v_wvfnc_init.F wvfnc_expander.F v_wvfnc_new.F wvfnc_new.F silvestrelli_minimize.F expand_cell.F wvfnc_expand_cell.F band_reformat_c_wvfnc.F wvfnc_adjust.F silvestrelli_minimize_old.F makenodefunctions.F pspw_wannier2.F pspw_wannier.F converting wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK converting expand_cell.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK converting band_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK converting makenodefunctions.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier2.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Making 64_to_32 in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 psi_lmbda.f psi_lmbda2.f psi_lmbda3.f psi_lmbda_sic.f psi_lmbda_paw.f inner_loop.F inner_loop_md.F cpsdv5.F cpmdv5.F psi_lmbda2.f psi_lmbda_omp.F mmsdv1.F inner_loop_qmmm_step.F cpmd_qmmm_start.F cpmd_qmmm_stop.F mm_loop.F pspw_et.F cprmdv1.F inner_loop_cprmd.F runsocket.F converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_paw.f to 32-bit integers for BLAS/LAPACK converting inner_loop.F to 32-bit integers for BLAS/LAPACK converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK converting cpsdv5.F to 32-bit integers for BLAS/LAPACK converting cpmdv5.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK converting mmsdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_qmmm_step.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_start.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK converting mm_loop.F to 32-bit integers for BLAS/LAPACK converting pspw_et.F to 32-bit integers for BLAS/LAPACK converting cprmdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_cprmd.F to 32-bit integers for BLAS/LAPACK converting runsocket.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Making 64_to_32 in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cgsdv5.F cgmdv5.F cgmontecarlov1.F cgoptimize1.F cgsd_energy.F bybminimize.F bybminimize2.F pspw_bq_gradient.F cgminimize.F mmmdv1.F bfgsminimize2.F bfgsminimize3.F md_energy.F cgminimize2.F cgminimizeABC.F cgsd_noit_energy.F bfgsminimize.F bfgsminimizeABC.F converting cgsdv5.F to 32-bit integers for BLAS/LAPACK converting cgmdv5.F to 32-bit integers for BLAS/LAPACK converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK converting cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting bybminimize.F to 32-bit integers for BLAS/LAPACK converting bybminimize2.F to 32-bit integers for BLAS/LAPACK converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK converting cgminimize.F to 32-bit integers for BLAS/LAPACK converting mmmdv1.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK converting md_energy.F to 32-bit integers for BLAS/LAPACK converting cgminimize2.F to 32-bit integers for BLAS/LAPACK converting cgminimizeABC.F to 32-bit integers for BLAS/LAPACK converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting bfgsminimizeABC.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Making 64_to_32 in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_Lubin_water_analysis.F pspw_atom_analysis.F analysis.F orb_pop_kawai.F orb_pop_aorb.F converting pspw_Lubin_water_analysis.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK converting analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK converting orb_pop_aorb.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_APC.F pspw_atom_Efield.F pspw_atom_Efield_grad.F converting pspw_APC.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield_grad.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making 64_to_32 in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 update_unitcell.F stress_fd.F force_fd.F converting update_unitcell.F to 32-bit integers for BLAS/LAPACK converting stress_fd.F to 32-bit integers for BLAS/LAPACK converting force_fd.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Making 64_to_32 in qmmm make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_qmmm.F converting pspw_qmmm.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in pspw_LJ make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_LJ.F converting pspw_LJ.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Making 64_to_32 in pspw_Q make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_Q.F converting pspw_Q.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Making 64_to_32 in pspw_Pair make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_Pair.F converting pspw_Pair.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Making 64_to_32 in mmq make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mmq.F converting mmq.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making 64_to_32 in charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_charge.F pspw_efield.F pspw_cosmo.F converting pspw_charge.F to 32-bit integers for BLAS/LAPACK converting pspw_efield.F to 32-bit integers for BLAS/LAPACK converting pspw_cosmo.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Making 64_to_32 in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_dplot.F ELF.F converting pspw_dplot.F to 32-bit integers for BLAS/LAPACK converting ELF.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Making 64_to_32 in lcao make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 lcao_diis_dn.F lcao_init_dn.F lcao_new_dn.F lcao_new_mix_dn.F lcao_generate_vhxcmatrix.F lcao_diis.F lcaov1.F wvfnc_new_lcao_density.F converting lcao_diis_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_generate_vhxcmatrix.F to 32-bit integers for BLAS/LAPACK converting lcao_diis.F to 32-bit integers for BLAS/LAPACK converting lcaov1.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new_lcao_density.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Making 64_to_32 in paw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in paw_geometry make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' Making 64_to_32 in paw_ma make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Making 64_to_32 in paw_utils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 integrate.F converting integrate.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Making 64_to_32 in paw_basis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Making 64_to_32 in paw_proj make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_proj.F converting paw_proj.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Making 64_to_32 in paw_matrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Making 64_to_32 in paw_ovlp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_overlap_matrix.F paw_ovlp.F converting paw_overlap_matrix.F to 32-bit integers for BLAS/LAPACK converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Making 64_to_32 in paw_comp_charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Making 64_to_32 in paw_special_functions make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Making 64_to_32 in paw_gaunt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Making 64_to_32 in paw_kinetic make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Making 64_to_32 in paw_vloc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_vloc.F converting paw_vloc.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Making 64_to_32 in paw_ion_potential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Making 64_to_32 in paw_core make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Making 64_to_32 in paw_hartree make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_pot_hartree.F paw_matrix_hartree.F converting paw_pot_hartree.F to 32-bit integers for BLAS/LAPACK converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Making 64_to_32 in paw_comp_pot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Making 64_to_32 in paw_mult make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_mult.F paw_mult_interaction.F paw_mult_energy.F converting paw_mult.F to 32-bit integers for BLAS/LAPACK converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Making 64_to_32 in paw_nonlocal make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_nonlocal.F converting paw_nonlocal.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Making 64_to_32 in paw_density make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_density.F converting paw_density.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Making 64_to_32 in paw_xc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_xc.F converting paw_xc.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Making 64_to_32 in paw_force make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_force.F converting paw_force.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Making 64_to_32 in paw_Grsm_list make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_Grsm_list.F paw_lmbfgs.F converting paw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Making 64_to_32 in paw_psi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_psi.F paw_geodesic.F paw_electron.F paw_psi2.F converting paw_psi.F to 32-bit integers for BLAS/LAPACK converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK converting paw_electron.F to 32-bit integers for BLAS/LAPACK converting paw_psi2.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Making 64_to_32 in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_sd.F paw_inner_loop.F paw_cpmd.F paw_inner_loop_md.F converting paw_sd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Making 64_to_32 in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_bfgsminimize.F paw_minimizer.F paw_cgsd_energy.F paw_cgminimize.F converting paw_bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Making 64_to_32 in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 paw_stress_fd.F paw_update_unitcell.F converting paw_stress_fd.F to 32-bit integers for BLAS/LAPACK converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Making 64_to_32 in band make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_minimizer.F c_cgsd_energy.F c_cgsd_energy_gradient.F c_bybminimize.F c_bybminimize2.F c_cgsd_energy_stress.F converting band_minimizer.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize2.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Making 64_to_32 in structure make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_structure.F band_interpolate_structure.F band_kp_structure.F band_fft_structure.F converting band_structure.F to 32-bit integers for BLAS/LAPACK converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Making 64_to_32 in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_sd.F band_cpmd.F band_inner_loop.F band_inner_loop_md.F converting band_sd.F to 32-bit integers for BLAS/LAPACK converting band_cpmd.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Making 64_to_32 in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_stress_fd.F band_update_unitcell.F converting band_stress_fd.F to 32-bit integers for BLAS/LAPACK converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Making 64_to_32 in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 kbpp_band.F kbpp_band_orb.F setup_kbpp_band.f integrate_kbpp_band_local.F integrate_kbpp_band_nonlocal.F integrate_kbpp_band_orb.F kbpp_band_stress.F integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F HGH_band_local.F HGH_band_nonlocal.F Tesseral_band.F Spherical_band.F hghpp_band.F integrate_kbpp_band_ray.F integrate_kbpp_band_stress_ray.F rkbpp_band.F integrate_kbpp_band_local_new.F integrate_kbpp_e_band_local_new.F integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_nonlocal_new.F kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F integrate_kbpp_e_band_local.F integrate_kbpp_e_band_ray.F kbpp_e_band_stress.F integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F converting kbpp_band.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK converting Spherical_band.F to 32-bit integers for BLAS/LAPACK converting hghpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting rkbpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Making 64_to_32 in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 pspw_reformat_c_wvfnc.F c_wvfnc_new.F c_wvfnc_expander.F c_v_wvfnc_new.F c_wvfnc_adjust.F converting pspw_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Making 64_to_32 in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in cpsp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cpsp.F cpsp_stress.F c_semicore.F cpsp_projector.F c_semicore_force_a.F c_semicore_force_b.F cpsp_relativistic.F cpsp_U.F converting cpsp.F to 32-bit integers for BLAS/LAPACK converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK converting c_semicore.F to 32-bit integers for BLAS/LAPACK converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK converting cpsp_U.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Making 64_to_32 in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cke.F converting cke.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Making 64_to_32 in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 c_coulomb.F c_coulomb_screened.F converting c_coulomb.F to 32-bit integers for BLAS/LAPACK converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Making 64_to_32 in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 c_electron.F psi_lmbda.f cpsi_H.F converting c_electron.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting cpsi_H.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Making 64_to_32 in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cpsi.F c_geodesic.F c_geodesic2.F cpsi_lmbda.F cpsi_lmbda2.F BGrsm.F cpsi_KS.F cpsi_read.F cpsi_write.F v_cpsi_read.F v_cpsi_write.F c_rho_symmetrizer.F converting cpsi.F to 32-bit integers for BLAS/LAPACK converting c_geodesic.F to 32-bit integers for BLAS/LAPACK converting c_geodesic2.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda2.F to 32-bit integers for BLAS/LAPACK converting BGrsm.F to 32-bit integers for BLAS/LAPACK converting cpsi_KS.F to 32-bit integers for BLAS/LAPACK converting cpsi_read.F to 32-bit integers for BLAS/LAPACK converting cpsi_write.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_write.F to 32-bit integers for BLAS/LAPACK converting c_rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Making 64_to_32 in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_hfx.F converting band_hfx.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Making 64_to_32 in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_Grsm_list.F band_lmbfgs.F converting band_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Making 64_to_32 in borbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 borbs.F borb_projector.F converting borbs.F to 32-bit integers for BLAS/LAPACK converting borb_projector.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making 64_to_32 in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_dplot.F converting band_dplot.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Making 64_to_32 in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_analysis.F orb_pop_borb.F converting band_analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 band_APC.F band_atom_Efield.F converting band_APC.F to 32-bit integers for BLAS/LAPACK converting band_atom_Efield.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making 64_to_32 in ofpw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ofpw_minimizer.F ofpw_cgsd_energy.F ofpw_cgminimize.F converting ofpw_minimizer.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Making 64_to_32 in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ofpwsd.F inner_loop_ofpw.F chi_lmbda.f converting ofpwsd.F to 32-bit integers for BLAS/LAPACK converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Making 64_to_32 in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in chi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Making 64_to_32 in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 chi_H.F chi_Hv4.F converting chi_H.F to 32-bit integers for BLAS/LAPACK converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Making 64_to_32 in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 v_thomasfermi.F converting v_thomasfermi.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Making 64_to_32 in WGC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 wgc.F converting wgc.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in pfft1.0 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making 64_to_32 in fftpack make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Making 64_to_32 in pfft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 drain.F fillup.F converting drain.F to 32-bit integers for BLAS/LAPACK converting fillup.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making 64_to_32 in pfftwrap make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/python3.11 -I/usr/include/python3.11 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 nwc_gen.F nwc_s2.F nwc_s1.F converting nwc_gen.F to 32-bit integers for BLAS/LAPACK converting nwc_s2.F to 32-bit integers for BLAS/LAPACK converting nwc_s1.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 vscf.F converting vscf.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 task_qmmm_gradient.F qmmm_lbfgsb.F mm_interface.F converting task_qmmm_gradient.F to 32-bit integers for BLAS/LAPACK converting qmmm_lbfgsb.F to 32-bit integers for BLAS/LAPACK converting mm_interface.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 qmd_ext.F converting qmd_ext.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tce_mbpt2.F tce_residual_t1.F tce_residual_t2.F tce_residual_t3.F tce_residual_t4.F tce_residual_t3a.F tce_ao2e.F tce_mo2e.F tce_guess_t1.F tce_mod1.F tce_eom_xdiagon.F dscalfile.F tce_eom_ydiagon.F tce_ao1e.F tce_aod1.F tce_mo1e.F tce_mo2e_zones_4a_disk_ga.F tce_mo2e_zones_4a_disk_ga_chop.F tce_mo2e_zones_4a_disk_4s_new_patch.F tce_mo2e_zones_4a_disk_2s_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m2.F tce_mo2e_2emet3.F tce_mo2e_2emet3_n5.F tce_mo2e_2emet4.F tce_mo2e_2emet4_n5.F tce_mo2e_disk_2eorb.F tce_mo2e_incore_2eorb.F tce_mo2e_incore_2eorb_split.F tce_mo2e_hybrid_2eorb_split.F tce_diagnose_t1.F ddotfile.F tce_ao2e_cholesky.F tce_energy.F ccsd_lr_alpha.F tensor_read_write.F tce_diis_act.F tce_mo2e_zones_4a_disk_ga_act.F tce_mo2e_zones_4a_disk_ga_chop_act.F ccsd_qr_beta.F daxpyfile.F tce_ao2e_cholesky_orb.F tce_ao2e_disk.F tce_ao2e_new.F tce_dgeev.F tce_mo2e_disk.F tce_mo2e_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m3.F tce_mo2e_zones_4a_disk_ga_N5.F tce_mo2e_zones_4a_disk_ga_chop_N5.F tce_mod1_new.F new_ga4ind_N5.F new4ind_N5_osu.F tce_read_t.F converting tce_mbpt2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t1.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t4.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3a.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e.F to 32-bit integers for BLAS/LAPACK converting tce_guess_t1.F to 32-bit integers for BLAS/LAPACK converting tce_mod1.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon.F to 32-bit integers for BLAS/LAPACK converting dscalfile.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ydiagon.F to 32-bit integers for BLAS/LAPACK converting tce_ao1e.F to 32-bit integers for BLAS/LAPACK converting tce_aod1.F to 32-bit integers for BLAS/LAPACK converting tce_mo1e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_2s_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m2.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_hybrid_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_diagnose_t1.F to 32-bit integers for BLAS/LAPACK converting ddotfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky.F to 32-bit integers for BLAS/LAPACK converting tce_energy.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_alpha.F to 32-bit integers for BLAS/LAPACK converting tensor_read_write.F to 32-bit integers for BLAS/LAPACK converting tce_diis_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_act.F to 32-bit integers for BLAS/LAPACK converting ccsd_qr_beta.F to 32-bit integers for BLAS/LAPACK converting daxpyfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky_orb.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_dgeev.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mod1_new.F to 32-bit integers for BLAS/LAPACK converting new_ga4ind_N5.F to 32-bit integers for BLAS/LAPACK converting new4ind_N5_osu.F to 32-bit integers for BLAS/LAPACK converting tce_read_t.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' Making 64_to_32 in diis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tce_diis.F converting tce_diis.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Making 64_to_32 in diis2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 tce_diis2.F converting tce_diis2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Making 64_to_32 in gradients make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_1pdm_hh_mo.F ccsd_1pdm_pp_mo.F ccsd_1pdm_hp_mo.F ccsd_1pdm_ph_mo.F ccsd_2pdm_hhhh_mo.F ccsd_2pdm_hhhp_mo.F ccsd_2pdm_hhpp_mo.F ccsd_2pdm_hphh_mo.F ccsd_2pdm_hphp_mo.F ccsd_2pdm_hppp_mo.F ccsd_2pdm_pphh_mo.F ccsd_2pdm_pphp_mo.F ccsd_2pdm_pppp_mo.F zvec_x_a_a.F zvec_x_a_b_a.F zvec_x_a_b_b.F zvec_x_a_c_a.F zvec_x_a_c_b.F zvec_x_a_d.F zvec_x_a_e_a.F zvec_x_a_e_b.F zvec_x_a_f_a.F zvec_x_a_f_b.F zvec_x_b_a_a.F zvec_x_b_a_b.F zvec_x_b_b_a.F zvec_x_b_b_b.F zvec_x_b_c.F zvec_x_b_d_a.F zvec_x_b_d_b.F zvec_x_b_e_a.F zvec_x_b_e_b.F zvec_x_b_f.F zvec_x_c_a.F zvec_x_c_b.F ccsd_zvec.F wdm_hh_mo_a.F wdm_hh_mo_b_a_a.F wdm_hh_mo_b_a_b.F wdm_hh_mo_b_b_a.F wdm_hh_mo_b_b_b.F wdm_hh_mo_c_a.F wdm_hh_mo_c_b_a.F wdm_hh_mo_c_b_b.F wdm_hh_mo_c_c_a.F wdm_hh_mo_c_c_b.F wdm_hh_mo_c_d.F wdm_hh_mo_c_e_a.F wdm_hh_mo_c_e_b.F wdm_hh_mo_c_f_a.F wdm_hh_mo_c_f_b.F wdm_hh_mo_d.F wdm_hp_mo_a.F wdm_hp_mo_b_a_a.F wdm_hp_mo_b_a_b.F wdm_hp_mo_b_b_a.F wdm_hp_mo_b_b_b.F wdm_hp_mo_b_c.F wdm_hp_mo_b_d_a.F wdm_hp_mo_b_d_b.F wdm_hp_mo_b_e_a.F wdm_hp_mo_b_e_b.F wdm_hp_mo_b_f.F wdm_hp_mo_c.F wdm_pp_mo_a.F wdm_pp_mo_b_a_a.F wdm_pp_mo_b_a_b.F wdm_pp_mo_b_b_a.F wdm_pp_mo_b_b_b.F wdm_pp_mo_b_c.F wdm_pp_mo_b_d_a.F wdm_pp_mo_b_d_b.F wdm_pp_mo_b_e_a.F wdm_pp_mo_b_e_b.F wdm_pp_mo_b_f.F eomccsd_1pdm_hh_mo.F eomccsd_1pdm_pp_mo.F tce_eomccsd_1prdm.F eomccsd_2pdm_hhhh_mo.F eomccsd_2pdm_hhhp_mo.F eomccsd_2pdm_hhpp_mo.F eomccsd_2pdm_hphh_mo.F eomccsd_2pdm_hphp_mo.F eomccsd_2pdm_hppp_mo.F eomccsd_2pdm_pphh_mo.F eomccsd_2pdm_pphp_mo.F eomccsd_2pdm_pppp_mo.F eomccsd_z1.F eomccsd_z2.F eomccsd_2pdm_pphh_zvec_mo.F eomccsd_1pdm_hp_mo.F eomccsd_1pdm_ph_mo.F eomccsd_x1_grad.F eomccsd_x2_grad.F tce_eom_xdiagon_grad.F tce_cisdt_denominator.F cisdtq_2pdm_hhhh_mo.F cisdtq_2pdm_hphp_mo.F cisdtq_2pdm_hppp_mo.F cisdtq_2pdm_pphp_mo.F cisdtq_2pdm_pppp_mo.F mp4_1pdm_pp_mo_III_b.F tce_cis_denominator.F cisd_1pdm_hh_mo.F ccsdt_2pdm_hphh_mo.F ccsdt_2pdm_hhhp_mo.F mp3_1pdm_hh_mo.F ccsdt_2pdm_pphh_mo.F tce_cisdtq_denominator.F tce_mp4_t24.F cis_x1.F cisd_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_II.F cisd_2pdm_hphp_mo.F cisdtq_1pdm_hh_mo.F cisd_2pdm_hppp_mo.F cisd_2pdm_pphp_mo.F cis_1pdm_pp_mo.F cisd_2pdm_pppp_mo.F ccsdt_1pdm_pp_mo.F cisdt_1pdm_pp_mo.F mp4_2pdm_hphh_mo.F mp2_1pdm_hh_mo.F mp4_2pdm_pphh_mo.F ccsdtq_2pdm_hphh_mo.F ccsdtq_2pdm_hhhp_mo.F cis_2pdm_hphp_mo.F tce_cisd_denominator.F ccsdtq_2pdm_pphh_mo.F cisdt_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_III_a.F ccsdtq_1pdm_pp_mo.F cisdt_2pdm_hphp_mo.F btrans1.F cisdt_2pdm_hppp_mo.F cisdt_2pdm_pphp_mo.F cisdt_2pdm_pppp_mo.F cisdtq_2pdm_hphh_mo.F cisdtq_2pdm_hhhp_mo.F wdm_hp_mo_b_d_a.F cisdtq_2pdm_pphh_mo.F cisdtq_2pdm_hhpp_mo.F mp4_1pdm_hh_mo_III_b.F btrans2.F ccsdt_2pdm_hhhh_mo.F wdm_hp_mo_b_d_b.F ccsdt_2pdm_hphp_mo.F cisd_1pdm_pp_mo.F ccsdt_2pdm_hppp_mo.F ccsdt_2pdm_pphp_mo.F mp3_1pdm_pp_mo.F ccsdt_2pdm_pppp_mo.F tce_mp2_norm.F cisd_2pdm_hphh_mo.F cisd_2pdm_hhhp_mo.F cis_1pdm_hh_mo.F cisd_2pdm_pphh_mo.F cisd_2pdm_hhpp_mo.F wdm_hp_mo_b_e_a.F ccsdt_1pdm_hh_mo.F mp4_1pdm_pp_mo_II.F cisdt_1pdm_hh_mo.F cisdtq_1pdm_pp_mo.F ccsdt_1pdm_ph_mo.F mp4_2pdm_hhhh_mo.F cis_xdiagon.F mp4_2pdm_hphp_mo.F ccsdtq_2pdm_hhhh_mo.F mp4_2pdm_pphp_mo.F mp2_1pdm_pp_mo.F mp3_2pdm_hhhh_mo.F ccsdtq_1pdm_hh_mo.F mp4_2pdm_pppp_mo.F ccsdtq_2pdm_hphp_mo.F wdm_hp_mo_b_e_b.F ccsdtq_1pdm_ph_mo.F ccsdtq_2pdm_hppp_mo.F ccsdtq_2pdm_pphp_mo.F cisdt_2pdm_hphh_mo.F cisdt_2pdm_hhhp_mo.F mp3_2pdm_hphp_mo.F ccsdtq_2pdm_pppp_mo.F cisdt_2pdm_pphh_mo.F cisdt_2pdm_hhpp_mo.F mp4_1pdm_pp_mo_III_a.F mp3_2pdm_pppp_mo.F converting ccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_d.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_c.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_f.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_b.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvec.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_zvec_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_grad.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_grad.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon_grad.F to 32-bit integers for BLAS/LAPACK converting tce_cisdt_denominator.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting tce_cis_denominator.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisdtq_denominator.F to 32-bit integers for BLAS/LAPACK converting tce_mp4_t24.F to 32-bit integers for BLAS/LAPACK converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisd_denominator.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting btrans1.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting btrans2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_mp2_norm.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Making 64_to_32 in ccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_e.F ccsd_t1.F ccsd_t2.F cc2_t1.F cc2_t2.F ccsd_1prdm_hh.F ccsd_1prdm_hp.F ccsd_1prdm_ph.F ccsd_1prdm_pp.F ccsd_1prdm.F icsd_t1.F icsd_t2.F ccsd_t2_8.F ccsd_kernels.F sd_t2_8_loops.F converting ccsd_e.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2.F to 32-bit integers for BLAS/LAPACK converting cc2_t1.F to 32-bit integers for BLAS/LAPACK converting cc2_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting icsd_t1.F to 32-bit integers for BLAS/LAPACK converting icsd_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2_8.F to 32-bit integers for BLAS/LAPACK converting ccsd_kernels.F to 32-bit integers for BLAS/LAPACK converting sd_t2_8_loops.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Making 64_to_32 in ccsd_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_density1.F ccsd_lambda1_1.F ccsd_lambda1_2.F ccsd_lambda2.F ccsd_lambda1_mod.F converting ccsd_density1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_mod.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Making 64_to_32 in eomccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 eomccsd_x1.F eomccsd_x2.F eomccsd_y1.F eomccsd_y2.F eomccsd_denominator.F eomccsd_density1.F cc2_x1.F cc2_x2.F eomccsd_1prdm_hh.F eomccsd_1prdm_hp.F eomccsd_1prdm_ph.F eomccsd_1prdm_pp.F eomccsd_1prdm.F eomccsd_x1_old.F eomccsd_x2_old.F eomicsd_x1.F eomicsd_x2.F converting eomccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsd_density1.F to 32-bit integers for BLAS/LAPACK converting cc2_x1.F to 32-bit integers for BLAS/LAPACK converting cc2_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_old.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_old.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Making 64_to_32 in ccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_t_doubles.F ccsd_t_singles.F ccsd_t_doubles_l.F ccsd_t_singles_l.F lambda_ccsd_t_left.F ccsd2_q_left.F ccsd2_q_right.F ccsd2_t_left.F ccsdt2_q_left.F ccsdt2_q_right.F cr_ccsd_t_D.F cr_ccsd_t_E.F cr_ccsd_t_N.F lr_ccsd_tq.F cr_qcisd_t.F m2_dot_m1t1.F ccsd_t_singles_l_6dts.F ccsd_t_doubles_l_6dts.F ccsd_t.F converting ccsd_t_doubles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l.F to 32-bit integers for BLAS/LAPACK converting lambda_ccsd_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_right.F to 32-bit integers for BLAS/LAPACK converting ccsd2_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_right.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_D.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N.F to 32-bit integers for BLAS/LAPACK converting lr_ccsd_tq.F to 32-bit integers for BLAS/LAPACK converting cr_qcisd_t.F to 32-bit integers for BLAS/LAPACK converting m2_dot_m1t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Making 64_to_32 in cr-eomccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 c1_c1.F c2_c2.F c2excit2.F cr_eomccsd_t_n2_1_1_2_2.F cr_eomccsd_t_n2_1_1_2.F cr_eomccsd_t_n2_1_1_3.F cr_eomccsd_t_n2_1_1.F cr_eomccsd_t_n2_1_2.F cr_eomccsd_t_n2_1_3_1.F cr_eomccsd_t_n2_1_3_2_1.F cr_eomccsd_t_n2_1_3_2.F cr_eomccsd_t_n2_1_3_3.F cr_eomccsd_t_n2_1_3.F cr_eomccsd_t_n2_1_4_1.F cr_eomccsd_t_n2_1_4.F cr_eomccsd_t_n2_1_5_1.F cr_eomccsd_t_n2_1_5.F cr_eomccsd_t_n2_1_6_1.F cr_eomccsd_t_n2_1_6.F cr_eomccsd_t_n2_1_7_2.F cr_eomccsd_t_n2_1_7.F cr_eomccsd_t_n2_1_8_2.F cr_eomccsd_t_n2_1_8.F cr_eomccsd_t_n2_1_9.F cr_eomccsd_t_n2_1.F cr_eomccsd_t_n2_2_1_2.F cr_eomccsd_t_n2_2_1_3.F cr_eomccsd_t_n2_2_1_4.F cr_eomccsd_t_n2_2_1.F cr_eomccsd_t_n2_2.F cr_eomccsd_t_n2_3_1.F cr_eomccsd_t_n2_3_2_1.F cr_eomccsd_t_n2_3_2.F cr_eomccsd_t_n2_3_3_2.F cr_eomccsd_t_n2_3_3.F cr_eomccsd_t_n2_3_4.F cr_eomccsd_t_n2_3.F cr_eomccsd_t_n2_4_1_1.F cr_eomccsd_t_n2_4_1_2_1.F cr_eomccsd_t_n2_4_1_2.F cr_eomccsd_t_n2_4_1_3_1.F cr_eomccsd_t_n2_4_1_3.F cr_eomccsd_t_n2_4_1_4.F cr_eomccsd_t_n2_4_1.F cr_eomccsd_t_n2_4_2_2_2.F cr_eomccsd_t_n2_4_2_2.F cr_eomccsd_t_n2_4_2_3.F cr_eomccsd_t_n2_4_2_4.F cr_eomccsd_t_n2_4_2.F cr_eomccsd_t_n2_4.F cr_eomccsd_t_n2_5_2_2_2.F cr_eomccsd_t_n2_5_2_2.F cr_eomccsd_t_n2_5_2_3.F cr_eomccsd_t_n2_5_2.F cr_eomccsd_t_n2_5_3_2.F cr_eomccsd_t_n2_5_3.F cr_eomccsd_t_n2_5_4_2.F cr_eomccsd_t_n2_5_4.F cr_eomccsd_t_n2_5_5_2.F cr_eomccsd_t_n2_5_5.F cr_eomccsd_t_n2_5_6.F cr_eomccsd_t_n2_5.F cr_eomccsd_t_n2_6_2.F cr_eomccsd_t_n2_6_3_2.F cr_eomccsd_t_n2_6_3.F cr_eomccsd_t_n2_6_4.F cr_eomccsd_t_n2_6.F cr_s_m3.F nr0.F q3rexpt2.F t2t12.F creomccsd_t_n2_mem.F cr_eomccsd_t.F q3rexpt2_6dts.F creomccsd_t_n2_mem_6dts.F cr_eomccsd_t_6dts.F cr_ccsd_t_N_6dts.F cr_ccsd_t_E_6dts.F cr_eomccsd_t_6dts_d4d5_parallel.F converting c1_c1.F to 32-bit integers for BLAS/LAPACK converting c2_c2.F to 32-bit integers for BLAS/LAPACK converting c2excit2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_9.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6.F to 32-bit integers for BLAS/LAPACK converting cr_s_m3.F to 32-bit integers for BLAS/LAPACK converting nr0.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2.F to 32-bit integers for BLAS/LAPACK converting t2t12.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_6dts.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts_d4d5_parallel.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Making 64_to_32 in lrh make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Making 64_to_32 in emb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 c2vt1_s.F c1v.F converting c2vt1_s.F to 32-bit integers for BLAS/LAPACK converting c1v.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Making 64_to_32 in ccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccd_e.F ccd_t2.F converting ccd_e.F to 32-bit integers for BLAS/LAPACK converting ccd_t2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Making 64_to_32 in lccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 lccd_e.F lccd_t2.F converting lccd_e.F to 32-bit integers for BLAS/LAPACK converting lccd_t2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Making 64_to_32 in lccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 lccsd_e.F lccsd_t1.F lccsd_t2.F converting lccsd_e.F to 32-bit integers for BLAS/LAPACK converting lccsd_t1.F to 32-bit integers for BLAS/LAPACK converting lccsd_t2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Making 64_to_32 in qcisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 qcisd_e.F qcisd_t1.F qcisd_t2.F converting qcisd_e.F to 32-bit integers for BLAS/LAPACK converting qcisd_t1.F to 32-bit integers for BLAS/LAPACK converting qcisd_t2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Making 64_to_32 in cc3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cc3_t3.F ccsdt1b_t3.F ccsdt2_t3.F ccsdt3_t3.F eomccsdt1_x3.F eomcc3_x3.F eomccsdt3_x3.F cc3_lambda3.F converting cc3_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt1b_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt3_t3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt1_x3.F to 32-bit integers for BLAS/LAPACK converting eomcc3_x3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt3_x3.F to 32-bit integers for BLAS/LAPACK converting cc3_lambda3.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Making 64_to_32 in mbpt1 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mbpt1_t1.F mbpt1_t2.F converting mbpt1_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt1_t2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Making 64_to_32 in mbpt2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mbpt2_e.F mbpt2_t1.F mbpt2_t2_b.F mbpt2_t2.F mbpt2_t3.F mbpt2_t1_sd.F mbpt2_t2_sd.F mbpt2_t4.F converting mbpt2_e.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_b.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t3.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t4.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Making 64_to_32 in mbpt3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mbpt3_e.F mbpt3_t1.F mbpt3_t2.F mbpt3_t1_sd.F mbpt3_t2_sd.F converting mbpt3_e.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2_sd.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Making 64_to_32 in mbpt4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mbpt4_e.F converting mbpt4_e.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Making 64_to_32 in cis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cis_x1.F cis_xdiagon.F converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Making 64_to_32 in cisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cisd_c1.F cisd_c2.F cisd_e.F converting cisd_c1.F to 32-bit integers for BLAS/LAPACK converting cisd_c2.F to 32-bit integers for BLAS/LAPACK converting cisd_e.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Making 64_to_32 in cisdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cisdt_c1.F cisdt_c2.F cisdt_c3.F cisdt_e.F converting cisdt_c1.F to 32-bit integers for BLAS/LAPACK converting cisdt_c2.F to 32-bit integers for BLAS/LAPACK converting cisdt_c3.F to 32-bit integers for BLAS/LAPACK converting cisdt_e.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Making 64_to_32 in cisdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cisdtq_c1.F cisdtq_c2.F cisdtq_c3.F cisdtq_c4.F cisdtq_e.F converting cisdtq_c1.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c2.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c3.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c4.F to 32-bit integers for BLAS/LAPACK converting cisdtq_e.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Making 64_to_32 in ccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_ea.F ccsd_t1a.F ccsd_t2a.F diag1_act2.F diag2_act2.F converting ccsd_ea.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2a.F to 32-bit integers for BLAS/LAPACK converting diag1_act2.F to 32-bit integers for BLAS/LAPACK converting diag2_act2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Making 64_to_32 in eomccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 eomccsd_x1a.F eomccsd_x2a.F q2na_hc1.F converting eomccsd_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2a.F to 32-bit integers for BLAS/LAPACK converting q2na_hc1.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Making 64_to_32 in cr_eomccsd_t_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cr_ccsd_t_E_act.F q3rexpt2_act.F cr_ccsd_t_N_act.F creomccsd_t_n2_act_mem.F cr_eomt_simac.F ccsd_t_d_act.F cr_eomccsd_t_act.F cr_eomccsd_tasim.F converting cr_ccsd_t_E_act.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_act.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_act.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_act_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomt_simac.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_d_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_tasim.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Making 64_to_32 in sort make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Making 64_to_32 in ducc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 rot_vir.F map_hcore.F converting rot_vir.F to 32-bit integers for BLAS/LAPACK converting map_hcore.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' Making 64_to_32 in ucc4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ucc4_e_new.F ucc4_t1_new.F ucc4_t2.F ucc4_t2_t2_v_t.F ucc4_t3.F converting ucc4_e_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t1_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2_t2_v_t.F to 32-bit integers for BLAS/LAPACK converting ucc4_t3.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Making 64_to_32 in eaccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 eaccsd_x1.F eaccsd_x2.F tce_print_eax1.F tce_print_eax2.F tce_eax1_offset.F tce_eax2_offset.F tce_eom_eaxguess.F tce_jacobi_eax1.F tce_jacobi_eax2.F converting eaccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eaccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax2.F to 32-bit integers for BLAS/LAPACK converting tce_eax1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eax2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_eaxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' Making 64_to_32 in ipccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ipccsd_x1.F ipccsd_x2.F tce_print_ipx1.F tce_print_ipx2.F tce_ipx1_offset.F tce_ipx2_offset.F tce_eom_ipxguess.F tce_jacobi_ipx1.F tce_jacobi_ipx2.F converting ipccsd_x1.F to 32-bit integers for BLAS/LAPACK converting ipccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx2.F to 32-bit integers for BLAS/LAPACK converting tce_ipx1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_ipx2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ipxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx2.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' Making 64_to_32 in ccsdt_alpha_offdiag make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_lr_alpha_offdiag_10_1_1.F ccsdt_lr_alpha_offdiag_10_1.F ccsdt_lr_alpha_offdiag_10_2_1.F ccsdt_lr_alpha_offdiag_10_2.F ccsdt_lr_alpha_offdiag_10_3_1.F ccsdt_lr_alpha_offdiag_10_3.F ccsdt_lr_alpha_offdiag_10_4_1.F ccsdt_lr_alpha_offdiag_10_4.F ccsdt_lr_alpha_offdiag_10.F ccsdt_lr_alpha_offdiag_11_1_1.F ccsdt_lr_alpha_offdiag_11_1.F ccsdt_lr_alpha_offdiag_11_2_1.F ccsdt_lr_alpha_offdiag_11_2_2.F ccsdt_lr_alpha_offdiag_11_2.F ccsdt_lr_alpha_offdiag_11_3_1.F ccsdt_lr_alpha_offdiag_11_3.F ccsdt_lr_alpha_offdiag_11_4_1.F ccsdt_lr_alpha_offdiag_11_4.F ccsdt_lr_alpha_offdiag_11_5_1.F ccsdt_lr_alpha_offdiag_11_5.F ccsdt_lr_alpha_offdiag_1_1.F ccsdt_lr_alpha_offdiag_11.F ccsdt_lr_alpha_offdiag_12_10_1.F ccsdt_lr_alpha_offdiag_12_10_2_1.F ccsdt_lr_alpha_offdiag_12_10_2.F ccsdt_lr_alpha_offdiag_12_10_3_1.F ccsdt_lr_alpha_offdiag_12_10_3.F ccsdt_lr_alpha_offdiag_12_10.F ccsdt_lr_alpha_offdiag_12_11_1.F ccsdt_lr_alpha_offdiag_12_11_2.F ccsdt_lr_alpha_offdiag_12_1_1.F ccsdt_lr_alpha_offdiag_12_11.F ccsdt_lr_alpha_offdiag_12_12_1.F ccsdt_lr_alpha_offdiag_12_12.F ccsdt_lr_alpha_offdiag_12_13_1.F ccsdt_lr_alpha_offdiag_12_13.F ccsdt_lr_alpha_offdiag_12_14_1.F ccsdt_lr_alpha_offdiag_12_14.F ccsdt_lr_alpha_offdiag_12_15_1_1.F ccsdt_lr_alpha_offdiag_12_15_1.F ccsdt_lr_alpha_offdiag_12_15_2_1.F ccsdt_lr_alpha_offdiag_12_15_2.F ccsdt_lr_alpha_offdiag_12_15_3_1.F ccsdt_lr_alpha_offdiag_12_15_3.F ccsdt_lr_alpha_offdiag_12_15_4_1.F ccsdt_lr_alpha_offdiag_12_15_4.F ccsdt_lr_alpha_offdiag_12_15_5_1.F ccsdt_lr_alpha_offdiag_12_15_5.F ccsdt_lr_alpha_offdiag_12_15_6_1.F ccsdt_lr_alpha_offdiag_12_15_6.F ccsdt_lr_alpha_offdiag_12_15.F ccsdt_lr_alpha_offdiag_12_16_1_1.F ccsdt_lr_alpha_offdiag_12_16_1.F ccsdt_lr_alpha_offdiag_12_16_2_1.F ccsdt_lr_alpha_offdiag_12_16_2.F ccsdt_lr_alpha_offdiag_12_16.F ccsdt_lr_alpha_offdiag_12_17_1_1.F ccsdt_lr_alpha_offdiag_12_17_1.F ccsdt_lr_alpha_offdiag_12_17_2_1.F ccsdt_lr_alpha_offdiag_12_17_2.F ccsdt_lr_alpha_offdiag_12_17_3_1.F ccsdt_lr_alpha_offdiag_12_17_3.F ccsdt_lr_alpha_offdiag_12_17_4_1.F ccsdt_lr_alpha_offdiag_12_17_4.F ccsdt_lr_alpha_offdiag_12_17.F ccsdt_lr_alpha_offdiag_12_18_1_1.F ccsdt_lr_alpha_offdiag_12_18_1.F ccsdt_lr_alpha_offdiag_12_18_2_1.F ccsdt_lr_alpha_offdiag_12_18_2.F ccsdt_lr_alpha_offdiag_12_18.F ccsdt_lr_alpha_offdiag_12_19_1_1.F ccsdt_lr_alpha_offdiag_12_19_1.F ccsdt_lr_alpha_offdiag_12_19_2_1.F ccsdt_lr_alpha_offdiag_12_19_2.F ccsdt_lr_alpha_offdiag_12_19.F ccsdt_lr_alpha_offdiag_12_1.F ccsdt_lr_alpha_offdiag_12_2_1.F ccsdt_lr_alpha_offdiag_12_2_2.F ccsdt_lr_alpha_offdiag_12_2.F ccsdt_lr_alpha_offdiag_12_3_1.F ccsdt_lr_alpha_offdiag_12_3_2_1.F ccsdt_lr_alpha_offdiag_12_3_2.F ccsdt_lr_alpha_offdiag_12_3_3_1.F ccsdt_lr_alpha_offdiag_12_3_3.F ccsdt_lr_alpha_offdiag_12_3_4_1.F ccsdt_lr_alpha_offdiag_12_3_4.F ccsdt_lr_alpha_offdiag_12_3_5_1.F ccsdt_lr_alpha_offdiag_12_3_5.F ccsdt_lr_alpha_offdiag_12_3_6_1.F ccsdt_lr_alpha_offdiag_12_3_6.F ccsdt_lr_alpha_offdiag_12_3_7_1.F ccsdt_lr_alpha_offdiag_12_3_7.F ccsdt_lr_alpha_offdiag_12_3.F ccsdt_lr_alpha_offdiag_12_4_1.F ccsdt_lr_alpha_offdiag_12_4_2.F ccsdt_lr_alpha_offdiag_12_4.F ccsdt_lr_alpha_offdiag_12_5_1.F ccsdt_lr_alpha_offdiag_12_5.F ccsdt_lr_alpha_offdiag_12_6_1.F ccsdt_lr_alpha_offdiag_12_6.F ccsdt_lr_alpha_offdiag_12_7_1.F ccsdt_lr_alpha_offdiag_12_7.F ccsdt_lr_alpha_offdiag_12_8_1.F ccsdt_lr_alpha_offdiag_12_8.F ccsdt_lr_alpha_offdiag_12_9_1.F ccsdt_lr_alpha_offdiag_12_9_2.F ccsdt_lr_alpha_offdiag_12_9.F ccsdt_lr_alpha_offdiag_1_2.F ccsdt_lr_alpha_offdiag_12.F ccsdt_lr_alpha_offdiag_13_10_1.F ccsdt_lr_alpha_offdiag_13_10.F ccsdt_lr_alpha_offdiag_13_11_1.F ccsdt_lr_alpha_offdiag_13_1_1.F ccsdt_lr_alpha_offdiag_13_11.F ccsdt_lr_alpha_offdiag_13_12_1.F ccsdt_lr_alpha_offdiag_13_1_2.F ccsdt_lr_alpha_offdiag_13_12.F ccsdt_lr_alpha_offdiag_13_13_1_1.F ccsdt_lr_alpha_offdiag_13_13_1_2.F ccsdt_lr_alpha_offdiag_13_1_3_1.F ccsdt_lr_alpha_offdiag_13_13_1.F ccsdt_lr_alpha_offdiag_13_13_2_1.F ccsdt_lr_alpha_offdiag_13_13_2_2.F ccsdt_lr_alpha_offdiag_13_1_3_2.F ccsdt_lr_alpha_offdiag_13_13_2.F ccsdt_lr_alpha_offdiag_13_1_3.F ccsdt_lr_alpha_offdiag_13_13.F ccsdt_lr_alpha_offdiag_13_14_1_1.F ccsdt_lr_alpha_offdiag_13_1_4_1.F ccsdt_lr_alpha_offdiag_13_14_1.F ccsdt_lr_alpha_offdiag_13_14_2_1.F ccsdt_lr_alpha_offdiag_13_1_4_2.F ccsdt_lr_alpha_offdiag_13_14_2.F ccsdt_lr_alpha_offdiag_13_1_4.F ccsdt_lr_alpha_offdiag_13_14.F ccsdt_lr_alpha_offdiag_13_15_1_1.F ccsdt_lr_alpha_offdiag_13_15_1_2.F ccsdt_lr_alpha_offdiag_13_15_1.F ccsdt_lr_alpha_offdiag_13_15_2_1.F ccsdt_lr_alpha_offdiag_13_15_2_2.F ccsdt_lr_alpha_offdiag_13_15_2.F ccsdt_lr_alpha_offdiag_13_15.F ccsdt_lr_alpha_offdiag_13_16_1_1.F ccsdt_lr_alpha_offdiag_13_16_1.F ccsdt_lr_alpha_offdiag_13_16_2_1.F ccsdt_lr_alpha_offdiag_13_16_2.F ccsdt_lr_alpha_offdiag_13_16.F ccsdt_lr_alpha_offdiag_13_17_1_1.F ccsdt_lr_alpha_offdiag_13_17_1.F ccsdt_lr_alpha_offdiag_13_17_2_1.F ccsdt_lr_alpha_offdiag_13_17_2.F ccsdt_lr_alpha_offdiag_13_17.F ccsdt_lr_alpha_offdiag_13_1.F ccsdt_lr_alpha_offdiag_13_2_1.F ccsdt_lr_alpha_offdiag_13_2.F ccsdt_lr_alpha_offdiag_13_3_1.F ccsdt_lr_alpha_offdiag_13_3_2.F ccsdt_lr_alpha_offdiag_13_3.F ccsdt_lr_alpha_offdiag_13_4_1.F ccsdt_lr_alpha_offdiag_13_4.F ccsdt_lr_alpha_offdiag_13_5_1.F ccsdt_lr_alpha_offdiag_13_5.F ccsdt_lr_alpha_offdiag_13_6_1.F ccsdt_lr_alpha_offdiag_13_6.F ccsdt_lr_alpha_offdiag_13_7_1.F ccsdt_lr_alpha_offdiag_13_7_2.F ccsdt_lr_alpha_offdiag_13_7.F ccsdt_lr_alpha_offdiag_13_8_1.F ccsdt_lr_alpha_offdiag_13_8.F ccsdt_lr_alpha_offdiag_13_9_1.F ccsdt_lr_alpha_offdiag_13_9_2.F ccsdt_lr_alpha_offdiag_13_9.F ccsdt_lr_alpha_offdiag_1_3.F ccsdt_lr_alpha_offdiag_13.F ccsdt_lr_alpha_offdiag_14_1_1.F ccsdt_lr_alpha_offdiag_1_4_1.F ccsdt_lr_alpha_offdiag_14_1.F ccsdt_lr_alpha_offdiag_14_2_1.F ccsdt_lr_alpha_offdiag_1_4_2.F ccsdt_lr_alpha_offdiag_14_2.F ccsdt_lr_alpha_offdiag_1_4_3.F ccsdt_lr_alpha_offdiag_1_4.F ccsdt_lr_alpha_offdiag_14.F ccsdt_lr_alpha_offdiag_15_10_1.F ccsdt_lr_alpha_offdiag_15_10.F ccsdt_lr_alpha_offdiag_15_11_1.F ccsdt_lr_alpha_offdiag_15_11_2_1.F ccsdt_lr_alpha_offdiag_15_11_2.F ccsdt_lr_alpha_offdiag_15_1_1.F ccsdt_lr_alpha_offdiag_15_11.F ccsdt_lr_alpha_offdiag_15_12_1.F ccsdt_lr_alpha_offdiag_15_1_2.F ccsdt_lr_alpha_offdiag_15_12.F ccsdt_lr_alpha_offdiag_15_13_1.F ccsdt_lr_alpha_offdiag_15_13.F ccsdt_lr_alpha_offdiag_15_14_1.F ccsdt_lr_alpha_offdiag_15_14_2_1.F ccsdt_lr_alpha_offdiag_15_14_2.F ccsdt_lr_alpha_offdiag_15_14_3_1.F ccsdt_lr_alpha_offdiag_15_14_3.F ccsdt_lr_alpha_offdiag_15_14.F ccsdt_lr_alpha_offdiag_15_15_1.F ccsdt_lr_alpha_offdiag_15_15.F ccsdt_lr_alpha_offdiag_15_16_1_1.F ccsdt_lr_alpha_offdiag_15_16_1_2.F ccsdt_lr_alpha_offdiag_15_16_1_3_1.F ccsdt_lr_alpha_offdiag_15_16_1_3_2.F ccsdt_lr_alpha_offdiag_15_16_1_3.F ccsdt_lr_alpha_offdiag_15_16_1.F ccsdt_lr_alpha_offdiag_15_16_2_1.F ccsdt_lr_alpha_offdiag_15_16_2.F ccsdt_lr_alpha_offdiag_15_16_3_1.F ccsdt_lr_alpha_offdiag_15_16_3.F ccsdt_lr_alpha_offdiag_15_16_4_1.F ccsdt_lr_alpha_offdiag_15_16_4_2.F ccsdt_lr_alpha_offdiag_15_16_4_3_1.F ccsdt_lr_alpha_offdiag_15_16_4_3_2.F ccsdt_lr_alpha_offdiag_15_16_4_3.F ccsdt_lr_alpha_offdiag_15_16_4_4_1.F ccsdt_lr_alpha_offdiag_15_16_4_4_2.F ccsdt_lr_alpha_offdiag_15_16_4_4.F ccsdt_lr_alpha_offdiag_15_16_4.F ccsdt_lr_alpha_offdiag_15_16_5_1.F ccsdt_lr_alpha_offdiag_15_16_5.F ccsdt_lr_alpha_offdiag_15_16_6_1.F ccsdt_lr_alpha_offdiag_15_16_6.F ccsdt_lr_alpha_offdiag_15_16_7_1_1.F ccsdt_lr_alpha_offdiag_15_16_7_1.F ccsdt_lr_alpha_offdiag_15_16_7.F ccsdt_lr_alpha_offdiag_15_16_8_1_1.F ccsdt_lr_alpha_offdiag_15_16_8_1.F ccsdt_lr_alpha_offdiag_15_16_8_2_1.F ccsdt_lr_alpha_offdiag_15_16_8_2.F ccsdt_lr_alpha_offdiag_15_16_8.F ccsdt_lr_alpha_offdiag_15_16.F ccsdt_lr_alpha_offdiag_15_17_1_1.F ccsdt_lr_alpha_offdiag_15_17_1.F ccsdt_lr_alpha_offdiag_15_17_2_1.F ccsdt_lr_alpha_offdiag_15_17_2.F ccsdt_lr_alpha_offdiag_15_17.F ccsdt_lr_alpha_offdiag_15_18_1_1.F ccsdt_lr_alpha_offdiag_15_18_1.F ccsdt_lr_alpha_offdiag_15_18_2_1.F ccsdt_lr_alpha_offdiag_15_18_2.F ccsdt_lr_alpha_offdiag_15_18.F ccsdt_lr_alpha_offdiag_15_19_1_1.F ccsdt_lr_alpha_offdiag_15_19_1.F ccsdt_lr_alpha_offdiag_15_19_2_1.F ccsdt_lr_alpha_offdiag_15_19_2.F ccsdt_lr_alpha_offdiag_15_19.F ccsdt_lr_alpha_offdiag_1_5_1.F ccsdt_lr_alpha_offdiag_15_1.F ccsdt_lr_alpha_offdiag_15_20_1_1.F ccsdt_lr_alpha_offdiag_15_20_1.F ccsdt_lr_alpha_offdiag_15_20_2_1.F ccsdt_lr_alpha_offdiag_15_20_2.F ccsdt_lr_alpha_offdiag_15_20_3_1.F ccsdt_lr_alpha_offdiag_15_20_3.F ccsdt_lr_alpha_offdiag_15_20_4_1.F ccsdt_lr_alpha_offdiag_15_20_4.F ccsdt_lr_alpha_offdiag_15_20.F ccsdt_lr_alpha_offdiag_15_21_1_1.F ccsdt_lr_alpha_offdiag_15_21_1.F ccsdt_lr_alpha_offdiag_15_21_2_1.F ccsdt_lr_alpha_offdiag_15_21_2.F ccsdt_lr_alpha_offdiag_15_2_1.F ccsdt_lr_alpha_offdiag_15_21.F ccsdt_lr_alpha_offdiag_15_22_1_1.F ccsdt_lr_alpha_offdiag_15_2_2_1.F ccsdt_lr_alpha_offdiag_15_22_1.F ccsdt_lr_alpha_offdiag_15_22_2_1.F ccsdt_lr_alpha_offdiag_15_22_2.F ccsdt_lr_alpha_offdiag_15_2_2.F ccsdt_lr_alpha_offdiag_15_22.F ccsdt_lr_alpha_offdiag_15_23_10_1_1.F ccsdt_lr_alpha_offdiag_15_23_10_1.F ccsdt_lr_alpha_offdiag_15_23_10_2_1.F ccsdt_lr_alpha_offdiag_15_23_10_2.F ccsdt_lr_alpha_offdiag_15_23_10.F ccsdt_lr_alpha_offdiag_15_23_1_1.F ccsdt_lr_alpha_offdiag_15_23_1_2.F ccsdt_lr_alpha_offdiag_15_23_1_3_1.F ccsdt_lr_alpha_offdiag_15_23_1_3_2.F ccsdt_lr_alpha_offdiag_15_23_1_3.F ccsdt_lr_alpha_offdiag_15_23_1_4_1.F ccsdt_lr_alpha_offdiag_15_23_1_4_2.F ccsdt_lr_alpha_offdiag_15_23_1_4.F ccsdt_lr_alpha_offdiag_15_23_1.F ccsdt_lr_alpha_offdiag_15_23_2_1.F ccsdt_lr_alpha_offdiag_15_23_2.F ccsdt_lr_alpha_offdiag_15_23_3_1.F ccsdt_lr_alpha_offdiag_15_23_3.F ccsdt_lr_alpha_offdiag_15_23_4_1.F ccsdt_lr_alpha_offdiag_15_23_4_2.F ccsdt_lr_alpha_offdiag_15_23_4_3_1.F ccsdt_lr_alpha_offdiag_15_23_4_3_2.F ccsdt_lr_alpha_offdiag_15_23_4_3.F ccsdt_lr_alpha_offdiag_15_23_4_4_1.F ccsdt_lr_alpha_offdiag_15_23_4_4_2.F ccsdt_lr_alpha_offdiag_15_23_4_4.F ccsdt_lr_alpha_offdiag_15_23_4.F ccsdt_lr_alpha_offdiag_15_23_5_1.F ccsdt_lr_alpha_offdiag_15_23_5.F ccsdt_lr_alpha_offdiag_15_23_6_1.F ccsdt_lr_alpha_offdiag_15_23_6.F ccsdt_lr_alpha_offdiag_15_23_7_1_1.F ccsdt_lr_alpha_offdiag_15_23_7_1.F ccsdt_lr_alpha_offdiag_15_23_7_2_1.F ccsdt_lr_alpha_offdiag_15_23_7_2.F ccsdt_lr_alpha_offdiag_15_23_7.F 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ccsdt_lr_alpha_offdiag_15_27_7.F ccsdt_lr_alpha_offdiag_15_27_8_1_1.F ccsdt_lr_alpha_offdiag_15_27_8_1.F ccsdt_lr_alpha_offdiag_15_27_8_2_1.F ccsdt_lr_alpha_offdiag_15_27_8_2.F ccsdt_lr_alpha_offdiag_15_27_8.F ccsdt_lr_alpha_offdiag_15_27.F ccsdt_lr_alpha_offdiag_15_28_1_1.F ccsdt_lr_alpha_offdiag_15_28_1.F ccsdt_lr_alpha_offdiag_15_28.F ccsdt_lr_alpha_offdiag_15_29_1_1.F ccsdt_lr_alpha_offdiag_15_29_1.F ccsdt_lr_alpha_offdiag_15_29.F ccsdt_lr_alpha_offdiag_1_5_2.F ccsdt_lr_alpha_offdiag_15_2.F ccsdt_lr_alpha_offdiag_15_30_1_1.F ccsdt_lr_alpha_offdiag_15_30_1.F ccsdt_lr_alpha_offdiag_15_30.F ccsdt_lr_alpha_offdiag_15_31_1_1.F ccsdt_lr_alpha_offdiag_15_31_1.F ccsdt_lr_alpha_offdiag_15_3_1.F ccsdt_lr_alpha_offdiag_15_31.F ccsdt_lr_alpha_offdiag_15_32_1_1.F ccsdt_lr_alpha_offdiag_15_32_1.F ccsdt_lr_alpha_offdiag_15_32.F ccsdt_lr_alpha_offdiag_15_33_1_1.F ccsdt_lr_alpha_offdiag_15_33_1.F ccsdt_lr_alpha_offdiag_15_33_2_1.F ccsdt_lr_alpha_offdiag_15_33_2.F ccsdt_lr_alpha_offdiag_15_33_3_1.F ccsdt_lr_alpha_offdiag_15_33_3.F ccsdt_lr_alpha_offdiag_15_33_4_1.F ccsdt_lr_alpha_offdiag_15_33_4.F ccsdt_lr_alpha_offdiag_15_33.F ccsdt_lr_alpha_offdiag_15_34_1_1.F ccsdt_lr_alpha_offdiag_15_34_1.F ccsdt_lr_alpha_offdiag_15_34.F ccsdt_lr_alpha_offdiag_15_35_1_1.F ccsdt_lr_alpha_offdiag_15_35_1.F ccsdt_lr_alpha_offdiag_15_35_2_1.F ccsdt_lr_alpha_offdiag_15_35_2.F ccsdt_lr_alpha_offdiag_15_35.F ccsdt_lr_alpha_offdiag_15_36_1_1.F ccsdt_lr_alpha_offdiag_15_36_1.F ccsdt_lr_alpha_offdiag_15_36_2_1.F ccsdt_lr_alpha_offdiag_15_36_2.F ccsdt_lr_alpha_offdiag_15_36.F ccsdt_lr_alpha_offdiag_15_37_1_1.F ccsdt_lr_alpha_offdiag_15_37_1.F ccsdt_lr_alpha_offdiag_15_37_2_1.F ccsdt_lr_alpha_offdiag_15_37_2.F ccsdt_lr_alpha_offdiag_15_37.F ccsdt_lr_alpha_offdiag_15_38_1_1.F ccsdt_lr_alpha_offdiag_15_38_1.F ccsdt_lr_alpha_offdiag_15_38_2_1.F ccsdt_lr_alpha_offdiag_15_38_2.F ccsdt_lr_alpha_offdiag_15_38.F ccsdt_lr_alpha_offdiag_15_39_1_1.F ccsdt_lr_alpha_offdiag_15_39_1.F ccsdt_lr_alpha_offdiag_15_39_2_1.F ccsdt_lr_alpha_offdiag_15_39_2.F ccsdt_lr_alpha_offdiag_15_39.F ccsdt_lr_alpha_offdiag_1_5_3.F ccsdt_lr_alpha_offdiag_15_3.F ccsdt_lr_alpha_offdiag_15_4_1.F ccsdt_lr_alpha_offdiag_15_4_2.F ccsdt_lr_alpha_offdiag_15_4_3_1.F ccsdt_lr_alpha_offdiag_15_4_3.F ccsdt_lr_alpha_offdiag_15_4_4_1.F ccsdt_lr_alpha_offdiag_15_4_4.F ccsdt_lr_alpha_offdiag_15_4.F ccsdt_lr_alpha_offdiag_15_5_1.F ccsdt_lr_alpha_offdiag_15_5.F ccsdt_lr_alpha_offdiag_15_6_1.F ccsdt_lr_alpha_offdiag_15_6.F ccsdt_lr_alpha_offdiag_15_7_1.F ccsdt_lr_alpha_offdiag_15_7.F ccsdt_lr_alpha_offdiag_15_8_1.F ccsdt_lr_alpha_offdiag_15_8.F ccsdt_lr_alpha_offdiag_15_9_1.F ccsdt_lr_alpha_offdiag_15_9_2.F ccsdt_lr_alpha_offdiag_15_9.F ccsdt_lr_alpha_offdiag_1_5.F ccsdt_lr_alpha_offdiag_15.F ccsdt_lr_alpha_offdiag_16_10_1.F ccsdt_lr_alpha_offdiag_16_10.F ccsdt_lr_alpha_offdiag_16_11_1_1.F ccsdt_lr_alpha_offdiag_16_11_1.F ccsdt_lr_alpha_offdiag_16_11_2_1.F ccsdt_lr_alpha_offdiag_16_11_2.F ccsdt_lr_alpha_offdiag_16_11_3_1.F ccsdt_lr_alpha_offdiag_16_11_3.F ccsdt_lr_alpha_offdiag_16_11_4_1.F ccsdt_lr_alpha_offdiag_16_11_4.F ccsdt_lr_alpha_offdiag_16_1_1.F ccsdt_lr_alpha_offdiag_16_11.F ccsdt_lr_alpha_offdiag_16_12_1_1.F ccsdt_lr_alpha_offdiag_16_12_1.F ccsdt_lr_alpha_offdiag_16_12_2_1.F ccsdt_lr_alpha_offdiag_16_12_2.F ccsdt_lr_alpha_offdiag_16_12_3_1.F ccsdt_lr_alpha_offdiag_16_12_3.F ccsdt_lr_alpha_offdiag_16_12_4_1.F ccsdt_lr_alpha_offdiag_16_12_4.F ccsdt_lr_alpha_offdiag_16_12.F ccsdt_lr_alpha_offdiag_16_13_1_1.F ccsdt_lr_alpha_offdiag_16_13_1.F ccsdt_lr_alpha_offdiag_16_13_2_1.F ccsdt_lr_alpha_offdiag_16_13_2.F ccsdt_lr_alpha_offdiag_16_13_3_1.F ccsdt_lr_alpha_offdiag_16_13_3.F ccsdt_lr_alpha_offdiag_16_13_4_1.F ccsdt_lr_alpha_offdiag_16_13_4.F ccsdt_lr_alpha_offdiag_16_13.F ccsdt_lr_alpha_offdiag_1_6_1.F ccsdt_lr_alpha_offdiag_16_1.F ccsdt_lr_alpha_offdiag_16_2_1.F ccsdt_lr_alpha_offdiag_1_6_2.F ccsdt_lr_alpha_offdiag_16_2.F ccsdt_lr_alpha_offdiag_16_3_1.F ccsdt_lr_alpha_offdiag_16_3.F ccsdt_lr_alpha_offdiag_16_4_1.F ccsdt_lr_alpha_offdiag_16_4.F ccsdt_lr_alpha_offdiag_16_5_1.F ccsdt_lr_alpha_offdiag_16_5.F ccsdt_lr_alpha_offdiag_16_6_1.F ccsdt_lr_alpha_offdiag_16_6.F ccsdt_lr_alpha_offdiag_16_7_1.F ccsdt_lr_alpha_offdiag_16_7.F ccsdt_lr_alpha_offdiag_16_8_1.F ccsdt_lr_alpha_offdiag_16_8.F ccsdt_lr_alpha_offdiag_16_9_1.F ccsdt_lr_alpha_offdiag_16_9.F ccsdt_lr_alpha_offdiag_1_6.F ccsdt_lr_alpha_offdiag_16.F ccsdt_lr_alpha_offdiag_1_7_1.F ccsdt_lr_alpha_offdiag_17_1.F ccsdt_lr_alpha_offdiag_1_7.F ccsdt_lr_alpha_offdiag_17.F ccsdt_lr_alpha_offdiag_1_8_1.F ccsdt_lr_alpha_offdiag_1_8_2.F ccsdt_lr_alpha_offdiag_1_8.F ccsdt_lr_alpha_offdiag_1_9_1.F ccsdt_lr_alpha_offdiag_1_9.F ccsdt_lr_alpha_offdiag_1.F ccsdt_lr_alpha_offdiag_2_1.F ccsdt_lr_alpha_offdiag_2_2.F ccsdt_lr_alpha_offdiag_2_3.F ccsdt_lr_alpha_offdiag_2.F ccsdt_lr_alpha_offdiag_3_10_1_1.F ccsdt_lr_alpha_offdiag_3_10_1.F ccsdt_lr_alpha_offdiag_3_10_2_1.F ccsdt_lr_alpha_offdiag_3_10_2.F ccsdt_lr_alpha_offdiag_3_10.F ccsdt_lr_alpha_offdiag_3_1_1.F ccsdt_lr_alpha_offdiag_3_1_2.F ccsdt_lr_alpha_offdiag_3_1.F ccsdt_lr_alpha_offdiag_3_2_1.F ccsdt_lr_alpha_offdiag_3_2_2.F ccsdt_lr_alpha_offdiag_3_2.F ccsdt_lr_alpha_offdiag_3_3_1.F ccsdt_lr_alpha_offdiag_3_3_2_1.F ccsdt_lr_alpha_offdiag_3_3_2.F ccsdt_lr_alpha_offdiag_3_3.F ccsdt_lr_alpha_offdiag_3_4_1.F ccsdt_lr_alpha_offdiag_3_4.F ccsdt_lr_alpha_offdiag_3_5_1.F ccsdt_lr_alpha_offdiag_3_5_2.F ccsdt_lr_alpha_offdiag_3_5_3_1.F ccsdt_lr_alpha_offdiag_3_5_3.F ccsdt_lr_alpha_offdiag_3_5_4_1.F ccsdt_lr_alpha_offdiag_3_5_4.F ccsdt_lr_alpha_offdiag_3_5.F ccsdt_lr_alpha_offdiag_3_6_1.F ccsdt_lr_alpha_offdiag_3_6.F ccsdt_lr_alpha_offdiag_3_7_1.F ccsdt_lr_alpha_offdiag_3_7.F ccsdt_lr_alpha_offdiag_3_8_1.F ccsdt_lr_alpha_offdiag_3_8_2_1.F ccsdt_lr_alpha_offdiag_3_8_2.F ccsdt_lr_alpha_offdiag_3_8.F ccsdt_lr_alpha_offdiag_3_9_1.F ccsdt_lr_alpha_offdiag_3_9.F ccsdt_lr_alpha_offdiag_3.F ccsdt_lr_alpha_offdiag_4_1.F ccsdt_lr_alpha_offdiag_4_2.F ccsdt_lr_alpha_offdiag_4.F ccsdt_lr_alpha_offdiag_5_1.F ccsdt_lr_alpha_offdiag_5_2.F ccsdt_lr_alpha_offdiag_5_3.F ccsdt_lr_alpha_offdiag_5_4_1.F ccsdt_lr_alpha_offdiag_5_4_2.F ccsdt_lr_alpha_offdiag_5_4_3.F ccsdt_lr_alpha_offdiag_5_4.F ccsdt_lr_alpha_offdiag_5_5_1.F ccsdt_lr_alpha_offdiag_5_5_2.F ccsdt_lr_alpha_offdiag_5_5_3.F ccsdt_lr_alpha_offdiag_5_5.F ccsdt_lr_alpha_offdiag_5_6_1.F ccsdt_lr_alpha_offdiag_5_6_2.F ccsdt_lr_alpha_offdiag_5_6.F ccsdt_lr_alpha_offdiag_5_7_1.F ccsdt_lr_alpha_offdiag_5_7.F ccsdt_lr_alpha_offdiag_5_8_1.F ccsdt_lr_alpha_offdiag_5_8_2.F ccsdt_lr_alpha_offdiag_5_8.F ccsdt_lr_alpha_offdiag_5_9_1.F ccsdt_lr_alpha_offdiag_5_9.F ccsdt_lr_alpha_offdiag_5.F ccsdt_lr_alpha_offdiag_6_1.F ccsdt_lr_alpha_offdiag_6_2.F ccsdt_lr_alpha_offdiag_6_3.F ccsdt_lr_alpha_offdiag_6.F ccsdt_lr_alpha_offdiag_7_1.F ccsdt_lr_alpha_offdiag_7_2.F ccsdt_lr_alpha_offdiag_7.F ccsdt_lr_alpha_offdiag_8_1.F ccsdt_lr_alpha_offdiag_8.F ccsdt_lr_alpha_offdiag_9_1_1.F ccsdt_lr_alpha_offdiag_9_1.F ccsdt_lr_alpha_offdiag_9_2_1.F ccsdt_lr_alpha_offdiag_9_2_2.F ccsdt_lr_alpha_offdiag_9_2_3.F ccsdt_lr_alpha_offdiag_9_2.F ccsdt_lr_alpha_offdiag_9_3_1.F ccsdt_lr_alpha_offdiag_9_3_2.F ccsdt_lr_alpha_offdiag_9_3.F ccsdt_lr_alpha_offdiag_9_4_1.F ccsdt_lr_alpha_offdiag_9_4.F ccsdt_lr_alpha_offdiag_9_5_1.F ccsdt_lr_alpha_offdiag_9_5_2.F ccsdt_lr_alpha_offdiag_9_5.F ccsdt_lr_alpha_offdiag_9_6_1.F ccsdt_lr_alpha_offdiag_9_6_2.F ccsdt_lr_alpha_offdiag_9_6.F ccsdt_lr_alpha_offdiag_9_7_1.F ccsdt_lr_alpha_offdiag_9_7.F ccsdt_lr_alpha_offdiag_9.F ccsdt_lr_alpha_offdiag.F converting ccsdt_lr_alpha_offdiag_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_24_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_27.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_28_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_28_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_28.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_29_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_29_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_29.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_30_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_30_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_30.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_31_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_31_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_31.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_32_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_32_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_32.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_33.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_34_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_34_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_34.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_35_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_35_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_35_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_35_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_35.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_36_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_36_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_36_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_36_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_36.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_37_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_37_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_37_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_37_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_37.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_38_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_38_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_38_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_38_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_38.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_39_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_39_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_39_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_39_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_39.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha_offdiag.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' Making 64_to_32 in ccsdt_alpha_new make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_lr_alpha1.F ccsdt_lr_alpha1_1.F ccsdt_lr_alpha1_1_1.F OFFSET_ccsdt_lr_alpha1_1_1.F ccsdt_lr_alpha1_1_2.F ccsdt_lr_alpha1_1_3.F ccsdt_lr_alpha1_1_4.F ccsdt_lr_alpha1_1_4_1.F OFFSET_ccsdt_lr_alpha1_1_4_1.F ccsdt_lr_alpha1_1_4_2.F ccsdt_lr_alpha1_1_4_3.F ccsdt_lr_alpha1_1_5.F ccsdt_lr_alpha1_1_5_1.F OFFSET_ccsdt_lr_alpha1_1_5_1.F ccsdt_lr_alpha1_1_5_2.F ccsdt_lr_alpha1_1_5_3.F ccsdt_lr_alpha1_1_6.F ccsdt_lr_alpha1_1_6_1.F OFFSET_ccsdt_lr_alpha1_1_6_1.F ccsdt_lr_alpha1_1_6_2.F ccsdt_lr_alpha1_1_7.F ccsdt_lr_alpha1_1_7_1.F OFFSET_ccsdt_lr_alpha1_1_7_1.F ccsdt_lr_alpha1_1_8.F ccsdt_lr_alpha1_1_8_1.F OFFSET_ccsdt_lr_alpha1_1_8_1.F ccsdt_lr_alpha1_1_8_2.F ccsdt_lr_alpha1_1_9.F ccsdt_lr_alpha1_1_9_1.F OFFSET_ccsdt_lr_alpha1_1_9_1.F ccsdt_lr_alpha1_2.F ccsdt_lr_alpha1_2_1.F OFFSET_ccsdt_lr_alpha1_2_1.F ccsdt_lr_alpha1_2_2.F ccsdt_lr_alpha1_2_3.F ccsdt_lr_alpha1_3.F ccsdt_lr_alpha1_3_1.F OFFSET_ccsdt_lr_alpha1_3_1.F ccsdt_lr_alpha1_4.F ccsdt_lr_alpha1_4_1.F OFFSET_ccsdt_lr_alpha1_4_1.F ccsdt_lr_alpha1_4_2.F ccsdt_lr_alpha2.F ccsdt_lr_alpha2_1.F ccsdt_lr_alpha2_1_1.F OFFSET_ccsdt_lr_alpha2_1_1.F ccsdt_lr_alpha2_2.F ccsdt_lr_alpha2_2_1.F OFFSET_ccsdt_lr_alpha2_2_1.F ccsdt_lr_alpha2_2_1_1.F OFFSET_ccsdt_lr_alpha2_2_1_1.F ccsdt_lr_alpha2_2_1_2.F ccsdt_lr_alpha2_2_1_3.F ccsdt_lr_alpha2_2_2.F ccsdt_lr_alpha2_2_2_1.F OFFSET_ccsdt_lr_alpha2_2_2_1.F ccsdt_lr_alpha2_2_2_2.F ccsdt_lr_alpha2_2_2_3.F ccsdt_lr_alpha2_2_3.F ccsdt_lr_alpha2_2_3_1.F OFFSET_ccsdt_lr_alpha2_2_3_1.F ccsdt_lr_alpha2_2_3_2.F ccsdt_lr_alpha2_2_4.F ccsdt_lr_alpha2_2_4_1.F OFFSET_ccsdt_lr_alpha2_2_4_1.F ccsdt_lr_alpha2_2_5.F ccsdt_lr_alpha2_2_5_1.F OFFSET_ccsdt_lr_alpha2_2_5_1.F ccsdt_lr_alpha2_2_5_2.F ccsdt_lr_alpha2_2_6.F ccsdt_lr_alpha2_2_6_1.F OFFSET_ccsdt_lr_alpha2_2_6_1.F ccsdt_lr_alpha2_3.F ccsdt_lr_alpha2_3_1.F OFFSET_ccsdt_lr_alpha2_3_1.F ccsdt_lr_alpha2_3_1_1.F OFFSET_ccsdt_lr_alpha2_3_1_1.F ccsdt_lr_alpha2_3_1_2.F ccsdt_lr_alpha2_3_1_3.F ccsdt_lr_alpha2_3_1_3_1.F OFFSET_ccsdt_lr_alpha2_3_1_3_1.F ccsdt_lr_alpha2_3_1_4.F ccsdt_lr_alpha2_3_1_4_1.F OFFSET_ccsdt_lr_alpha2_3_1_4_1.F ccsdt_lr_alpha2_3_2.F ccsdt_lr_alpha2_3_2_1.F OFFSET_ccsdt_lr_alpha2_3_2_1.F ccsdt_lr_alpha2_3_3.F ccsdt_lr_alpha2_3_3_1.F OFFSET_ccsdt_lr_alpha2_3_3_1.F ccsdt_lr_alpha2_3_4.F ccsdt_lr_alpha2_3_4_1.F OFFSET_ccsdt_lr_alpha2_3_4_1.F ccsdt_lr_alpha2_3_4_2.F ccsdt_lr_alpha2_3_4_3.F ccsdt_lr_alpha2_3_4_3_1.F OFFSET_ccsdt_lr_alpha2_3_4_3_1.F ccsdt_lr_alpha2_3_4_4.F ccsdt_lr_alpha2_3_4_4_1.F OFFSET_ccsdt_lr_alpha2_3_4_4_1.F ccsdt_lr_alpha2_3_5.F ccsdt_lr_alpha2_3_5_1.F OFFSET_ccsdt_lr_alpha2_3_5_1.F ccsdt_lr_alpha2_3_6.F ccsdt_lr_alpha2_3_6_1.F OFFSET_ccsdt_lr_alpha2_3_6_1.F ccsdt_lr_alpha2_3_7.F ccsdt_lr_alpha2_3_7_1.F OFFSET_ccsdt_lr_alpha2_3_7_1.F ccsdt_lr_alpha2_3_8.F ccsdt_lr_alpha2_3_8_1.F OFFSET_ccsdt_lr_alpha2_3_8_1.F ccsdt_lr_alpha2_3_9.F ccsdt_lr_alpha2_3_9_1.F OFFSET_ccsdt_lr_alpha2_3_9_1.F ccsdt_lr_alpha2_3_9_1_1.F OFFSET_ccsdt_lr_alpha2_3_9_1_1.F ccsdt_lr_alpha2_3_9_2.F ccsdt_lr_alpha2_3_9_2_1.F OFFSET_ccsdt_lr_alpha2_3_9_2_1.F ccsdt_lr_alpha2_4.F ccsdt_lr_alpha2_4_1.F OFFSET_ccsdt_lr_alpha2_4_1.F ccsdt_lr_alpha2_4_1_1.F OFFSET_ccsdt_lr_alpha2_4_1_1.F ccsdt_lr_alpha2_4_2.F ccsdt_lr_alpha2_4_2_1.F OFFSET_ccsdt_lr_alpha2_4_2_1.F ccsdt_lr_alpha2_4_3.F ccsdt_lr_alpha2_4_3_1.F OFFSET_ccsdt_lr_alpha2_4_3_1.F ccsdt_lr_alpha2_4_4.F ccsdt_lr_alpha2_4_4_1.F OFFSET_ccsdt_lr_alpha2_4_4_1.F ccsdt_lr_alpha2_5.F ccsdt_lr_alpha2_5_1.F OFFSET_ccsdt_lr_alpha2_5_1.F ccsdt_lr_alpha2_5_1_1.F OFFSET_ccsdt_lr_alpha2_5_1_1.F ccsdt_lr_alpha2_5_1_2.F ccsdt_lr_alpha2_5_2.F ccsdt_lr_alpha2_5_2_1.F OFFSET_ccsdt_lr_alpha2_5_2_1.F ccsdt_lr_alpha2_5_2_2.F ccsdt_lr_alpha2_5_3.F ccsdt_lr_alpha2_5_3_1.F OFFSET_ccsdt_lr_alpha2_5_3_1.F ccsdt_lr_alpha2_5_4.F ccsdt_lr_alpha2_5_4_1.F OFFSET_ccsdt_lr_alpha2_5_4_1.F ccsdt_lr_alpha2_6.F ccsdt_lr_alpha2_6_1.F OFFSET_ccsdt_lr_alpha2_6_1.F ccsdt_lr_alpha2_6_1_1.F OFFSET_ccsdt_lr_alpha2_6_1_1.F ccsdt_lr_alpha2_6_2.F ccsdt_lr_alpha2_6_2_1.F OFFSET_ccsdt_lr_alpha2_6_2_1.F ccsdt_lr_alpha2_6_2_2.F ccsdt_lr_alpha2_6_3.F ccsdt_lr_alpha2_6_3_1.F OFFSET_ccsdt_lr_alpha2_6_3_1.F ccsdt_lr_alpha2_6_3_2.F ccsdt_lr_alpha2_6_3_2_1.F OFFSET_ccsdt_lr_alpha2_6_3_2_1.F ccsdt_lr_alpha2_6_3_3.F ccsdt_lr_alpha2_6_3_3_1.F OFFSET_ccsdt_lr_alpha2_6_3_3_1.F ccsdt_lr_alpha2_6_3_4.F ccsdt_lr_alpha2_6_3_4_1.F OFFSET_ccsdt_lr_alpha2_6_3_4_1.F ccsdt_lr_alpha2_6_3_5.F ccsdt_lr_alpha2_6_3_5_1.F OFFSET_ccsdt_lr_alpha2_6_3_5_1.F ccsdt_lr_alpha2_6_3_6.F ccsdt_lr_alpha2_6_3_6_1.F OFFSET_ccsdt_lr_alpha2_6_3_6_1.F ccsdt_lr_alpha2_6_3_7.F ccsdt_lr_alpha2_6_3_7_1.F OFFSET_ccsdt_lr_alpha2_6_3_7_1.F ccsdt_lr_alpha2_6_4.F ccsdt_lr_alpha2_6_4_1.F OFFSET_ccsdt_lr_alpha2_6_4_1.F ccsdt_lr_alpha2_6_4_2.F ccsdt_lr_alpha2_6_5.F ccsdt_lr_alpha2_6_5_1.F OFFSET_ccsdt_lr_alpha2_6_5_1.F ccsdt_lr_alpha2_6_6.F ccsdt_lr_alpha2_6_6_1.F OFFSET_ccsdt_lr_alpha2_6_6_1.F ccsdt_lr_alpha2_6_7.F ccsdt_lr_alpha2_6_7_1.F OFFSET_ccsdt_lr_alpha2_6_7_1.F ccsdt_lr_alpha2_6_8.F ccsdt_lr_alpha2_6_8_1.F OFFSET_ccsdt_lr_alpha2_6_8_1.F ccsdt_lr_alpha2_6_9.F ccsdt_lr_alpha2_6_9_1.F OFFSET_ccsdt_lr_alpha2_6_9_1.F ccsdt_lr_alpha2_6_9_2.F ccsdt_lr_alpha2_6_10.F ccsdt_lr_alpha2_6_10_1.F OFFSET_ccsdt_lr_alpha2_6_10_1.F ccsdt_lr_alpha2_6_10_2.F ccsdt_lr_alpha2_6_10_2_1.F OFFSET_ccsdt_lr_alpha2_6_10_2_1.F ccsdt_lr_alpha2_6_10_3.F ccsdt_lr_alpha2_6_10_3_1.F OFFSET_ccsdt_lr_alpha2_6_10_3_1.F ccsdt_lr_alpha2_6_10_4.F ccsdt_lr_alpha2_6_10_4_1.F OFFSET_ccsdt_lr_alpha2_6_10_4_1.F ccsdt_lr_alpha2_6_10_5.F ccsdt_lr_alpha2_6_10_5_1.F OFFSET_ccsdt_lr_alpha2_6_10_5_1.F ccsdt_lr_alpha2_6_10_6.F ccsdt_lr_alpha2_6_10_6_1.F OFFSET_ccsdt_lr_alpha2_6_10_6_1.F ccsdt_lr_alpha2_6_10_7.F ccsdt_lr_alpha2_6_10_7_1.F OFFSET_ccsdt_lr_alpha2_6_10_7_1.F ccsdt_lr_alpha2_6_11.F ccsdt_lr_alpha2_6_11_1.F OFFSET_ccsdt_lr_alpha2_6_11_1.F ccsdt_lr_alpha2_6_11_2.F ccsdt_lr_alpha2_6_12.F ccsdt_lr_alpha2_6_12_1.F OFFSET_ccsdt_lr_alpha2_6_12_1.F ccsdt_lr_alpha2_6_13.F ccsdt_lr_alpha2_6_13_1.F OFFSET_ccsdt_lr_alpha2_6_13_1.F ccsdt_lr_alpha2_6_14.F ccsdt_lr_alpha2_6_14_1.F OFFSET_ccsdt_lr_alpha2_6_14_1.F ccsdt_lr_alpha2_6_15.F ccsdt_lr_alpha2_6_15_1.F OFFSET_ccsdt_lr_alpha2_6_15_1.F ccsdt_lr_alpha2_6_15_1_1.F OFFSET_ccsdt_lr_alpha2_6_15_1_1.F ccsdt_lr_alpha2_6_15_2.F ccsdt_lr_alpha2_6_15_2_1.F OFFSET_ccsdt_lr_alpha2_6_15_2_1.F ccsdt_lr_alpha2_6_15_3.F ccsdt_lr_alpha2_6_15_3_1.F OFFSET_ccsdt_lr_alpha2_6_15_3_1.F ccsdt_lr_alpha2_6_15_4.F ccsdt_lr_alpha2_6_15_4_1.F OFFSET_ccsdt_lr_alpha2_6_15_4_1.F ccsdt_lr_alpha2_6_15_5.F ccsdt_lr_alpha2_6_15_5_1.F OFFSET_ccsdt_lr_alpha2_6_15_5_1.F ccsdt_lr_alpha2_6_15_6.F ccsdt_lr_alpha2_6_15_6_1.F OFFSET_ccsdt_lr_alpha2_6_15_6_1.F ccsdt_lr_alpha2_6_16.F ccsdt_lr_alpha2_6_16_1.F OFFSET_ccsdt_lr_alpha2_6_16_1.F ccsdt_lr_alpha2_6_16_1_1.F OFFSET_ccsdt_lr_alpha2_6_16_1_1.F ccsdt_lr_alpha2_6_16_2.F ccsdt_lr_alpha2_6_16_2_1.F OFFSET_ccsdt_lr_alpha2_6_16_2_1.F ccsdt_lr_alpha2_6_17.F ccsdt_lr_alpha2_6_17_1.F OFFSET_ccsdt_lr_alpha2_6_17_1.F ccsdt_lr_alpha2_6_17_1_1.F OFFSET_ccsdt_lr_alpha2_6_17_1_1.F ccsdt_lr_alpha2_6_17_2.F ccsdt_lr_alpha2_6_17_2_1.F OFFSET_ccsdt_lr_alpha2_6_17_2_1.F ccsdt_lr_alpha2_6_18.F ccsdt_lr_alpha2_6_18_1.F OFFSET_ccsdt_lr_alpha2_6_18_1.F ccsdt_lr_alpha2_6_18_1_1.F OFFSET_ccsdt_lr_alpha2_6_18_1_1.F ccsdt_lr_alpha2_6_18_2.F ccsdt_lr_alpha2_6_18_2_1.F OFFSET_ccsdt_lr_alpha2_6_18_2_1.F ccsdt_lr_alpha2_7.F ccsdt_lr_alpha2_7_1.F OFFSET_ccsdt_lr_alpha2_7_1.F ccsdt_lr_alpha2_7_1_1.F OFFSET_ccsdt_lr_alpha2_7_1_1.F ccsdt_lr_alpha2_7_1_2.F ccsdt_lr_alpha2_7_1_3.F ccsdt_lr_alpha2_7_1_3_1.F OFFSET_ccsdt_lr_alpha2_7_1_3_1.F ccsdt_lr_alpha2_7_1_3_2.F ccsdt_lr_alpha2_7_1_4.F ccsdt_lr_alpha2_7_1_4_1.F OFFSET_ccsdt_lr_alpha2_7_1_4_1.F ccsdt_lr_alpha2_7_1_4_2.F ccsdt_lr_alpha2_7_2.F ccsdt_lr_alpha2_7_2_1.F OFFSET_ccsdt_lr_alpha2_7_2_1.F ccsdt_lr_alpha2_7_3.F ccsdt_lr_alpha2_7_3_1.F OFFSET_ccsdt_lr_alpha2_7_3_1.F ccsdt_lr_alpha2_7_3_2.F ccsdt_lr_alpha2_7_4.F ccsdt_lr_alpha2_7_4_1.F OFFSET_ccsdt_lr_alpha2_7_4_1.F ccsdt_lr_alpha2_7_4_1_1.F OFFSET_ccsdt_lr_alpha2_7_4_1_1.F ccsdt_lr_alpha2_7_4_1_2.F ccsdt_lr_alpha2_7_5.F ccsdt_lr_alpha2_7_5_1.F OFFSET_ccsdt_lr_alpha2_7_5_1.F ccsdt_lr_alpha2_7_6.F ccsdt_lr_alpha2_7_6_1.F OFFSET_ccsdt_lr_alpha2_7_6_1.F ccsdt_lr_alpha2_7_7.F ccsdt_lr_alpha2_7_7_1.F OFFSET_ccsdt_lr_alpha2_7_7_1.F ccsdt_lr_alpha2_7_7_2.F ccsdt_lr_alpha2_7_7_3.F ccsdt_lr_alpha2_7_7_3_1.F OFFSET_ccsdt_lr_alpha2_7_7_3_1.F ccsdt_lr_alpha2_7_7_3_2.F ccsdt_lr_alpha2_7_7_4.F ccsdt_lr_alpha2_7_7_4_1.F OFFSET_ccsdt_lr_alpha2_7_7_4_1.F ccsdt_lr_alpha2_7_7_4_2.F ccsdt_lr_alpha2_7_8.F ccsdt_lr_alpha2_7_8_1.F OFFSET_ccsdt_lr_alpha2_7_8_1.F ccsdt_lr_alpha2_7_9.F ccsdt_lr_alpha2_7_9_1.F OFFSET_ccsdt_lr_alpha2_7_9_1.F ccsdt_lr_alpha2_7_9_2.F ccsdt_lr_alpha2_7_10.F ccsdt_lr_alpha2_7_10_1.F OFFSET_ccsdt_lr_alpha2_7_10_1.F ccsdt_lr_alpha2_7_11.F ccsdt_lr_alpha2_7_11_1.F OFFSET_ccsdt_lr_alpha2_7_11_1.F ccsdt_lr_alpha2_7_12.F ccsdt_lr_alpha2_7_12_1.F OFFSET_ccsdt_lr_alpha2_7_12_1.F ccsdt_lr_alpha2_7_12_1_1.F OFFSET_ccsdt_lr_alpha2_7_12_1_1.F ccsdt_lr_alpha2_7_12_2.F ccsdt_lr_alpha2_7_12_2_1.F OFFSET_ccsdt_lr_alpha2_7_12_2_1.F ccsdt_lr_alpha2_7_13.F ccsdt_lr_alpha2_7_13_1.F OFFSET_ccsdt_lr_alpha2_7_13_1.F ccsdt_lr_alpha2_7_13_1_1.F OFFSET_ccsdt_lr_alpha2_7_13_1_1.F ccsdt_lr_alpha2_7_13_1_2.F ccsdt_lr_alpha2_7_13_2.F ccsdt_lr_alpha2_7_13_2_1.F OFFSET_ccsdt_lr_alpha2_7_13_2_1.F ccsdt_lr_alpha2_7_13_2_2.F ccsdt_lr_alpha2_7_14.F ccsdt_lr_alpha2_7_14_1.F OFFSET_ccsdt_lr_alpha2_7_14_1.F ccsdt_lr_alpha2_7_14_1_1.F OFFSET_ccsdt_lr_alpha2_7_14_1_1.F ccsdt_lr_alpha2_7_14_2.F ccsdt_lr_alpha2_7_14_2_1.F OFFSET_ccsdt_lr_alpha2_7_14_2_1.F ccsdt_lr_alpha2_7_15.F ccsdt_lr_alpha2_7_15_1.F OFFSET_ccsdt_lr_alpha2_7_15_1.F ccsdt_lr_alpha2_7_15_1_1.F OFFSET_ccsdt_lr_alpha2_7_15_1_1.F ccsdt_lr_alpha2_7_15_2.F ccsdt_lr_alpha2_7_15_2_1.F OFFSET_ccsdt_lr_alpha2_7_15_2_1.F ccsdt_lr_alpha2_8.F ccsdt_lr_alpha2_8_1.F OFFSET_ccsdt_lr_alpha2_8_1.F ccsdt_lr_alpha2_8_1_1.F OFFSET_ccsdt_lr_alpha2_8_1_1.F ccsdt_lr_alpha2_8_2.F ccsdt_lr_alpha2_8_2_1.F OFFSET_ccsdt_lr_alpha2_8_2_1.F ccsdt_lr_alpha2_9.F ccsdt_lr_alpha2_9_1.F OFFSET_ccsdt_lr_alpha2_9_1.F ccsdt_lr_alpha2_9_1_1.F OFFSET_ccsdt_lr_alpha2_9_1_1.F ccsdt_lr_alpha2_9_1_2.F ccsdt_lr_alpha2_9_2.F ccsdt_lr_alpha2_9_2_1.F OFFSET_ccsdt_lr_alpha2_9_2_1.F ccsdt_lr_alpha2_9_2_2.F ccsdt_lr_alpha2_9_2_3.F ccsdt_lr_alpha2_9_2_3_1.F OFFSET_ccsdt_lr_alpha2_9_2_3_1.F ccsdt_lr_alpha2_9_2_4.F ccsdt_lr_alpha2_9_2_4_1.F OFFSET_ccsdt_lr_alpha2_9_2_4_1.F ccsdt_lr_alpha2_9_3.F ccsdt_lr_alpha2_9_3_1.F OFFSET_ccsdt_lr_alpha2_9_3_1.F ccsdt_lr_alpha2_9_4.F ccsdt_lr_alpha2_9_4_1.F OFFSET_ccsdt_lr_alpha2_9_4_1.F ccsdt_lr_alpha2_9_4_2.F ccsdt_lr_alpha2_9_4_3.F ccsdt_lr_alpha2_9_4_3_1.F OFFSET_ccsdt_lr_alpha2_9_4_3_1.F ccsdt_lr_alpha2_9_4_4.F ccsdt_lr_alpha2_9_4_4_1.F OFFSET_ccsdt_lr_alpha2_9_4_4_1.F ccsdt_lr_alpha2_9_5.F ccsdt_lr_alpha2_9_5_1.F OFFSET_ccsdt_lr_alpha2_9_5_1.F ccsdt_lr_alpha2_9_6.F ccsdt_lr_alpha2_9_6_1.F OFFSET_ccsdt_lr_alpha2_9_6_1.F ccsdt_lr_alpha2_9_7.F ccsdt_lr_alpha2_9_7_1.F OFFSET_ccsdt_lr_alpha2_9_7_1.F ccsdt_lr_alpha2_9_7_2.F ccsdt_lr_alpha2_9_7_2_1.F OFFSET_ccsdt_lr_alpha2_9_7_2_1.F ccsdt_lr_alpha2_9_7_3.F ccsdt_lr_alpha2_9_7_3_1.F OFFSET_ccsdt_lr_alpha2_9_7_3_1.F ccsdt_lr_alpha2_9_8.F ccsdt_lr_alpha2_9_8_1.F OFFSET_ccsdt_lr_alpha2_9_8_1.F ccsdt_lr_alpha2_9_9.F ccsdt_lr_alpha2_9_9_1.F OFFSET_ccsdt_lr_alpha2_9_9_1.F ccsdt_lr_alpha2_9_9_2.F ccsdt_lr_alpha2_9_10.F ccsdt_lr_alpha2_9_10_1.F OFFSET_ccsdt_lr_alpha2_9_10_1.F ccsdt_lr_alpha2_9_11.F ccsdt_lr_alpha2_9_11_1.F OFFSET_ccsdt_lr_alpha2_9_11_1.F ccsdt_lr_alpha2_9_12.F ccsdt_lr_alpha2_9_12_1.F OFFSET_ccsdt_lr_alpha2_9_12_1.F ccsdt_lr_alpha2_9_13.F ccsdt_lr_alpha2_9_13_1.F OFFSET_ccsdt_lr_alpha2_9_13_1.F ccsdt_lr_alpha2_9_13_2.F ccsdt_lr_alpha2_9_13_2_1.F OFFSET_ccsdt_lr_alpha2_9_13_2_1.F ccsdt_lr_alpha2_9_13_3.F ccsdt_lr_alpha2_9_13_3_1.F OFFSET_ccsdt_lr_alpha2_9_13_3_1.F ccsdt_lr_alpha2_9_14.F ccsdt_lr_alpha2_9_14_1.F OFFSET_ccsdt_lr_alpha2_9_14_1.F ccsdt_lr_alpha2_9_15.F ccsdt_lr_alpha2_9_15_1.F OFFSET_ccsdt_lr_alpha2_9_15_1.F ccsdt_lr_alpha2_9_15_1_1.F OFFSET_ccsdt_lr_alpha2_9_15_1_1.F ccsdt_lr_alpha2_9_15_1_2.F ccsdt_lr_alpha2_9_15_1_2_1.F OFFSET_ccsdt_lr_alpha2_9_15_1_2_1.F ccsdt_lr_alpha2_9_15_1_2_2.F ccsdt_lr_alpha2_9_15_1_3.F ccsdt_lr_alpha2_9_15_1_3_1.F OFFSET_ccsdt_lr_alpha2_9_15_1_3_1.F ccsdt_lr_alpha2_9_15_1_3_2.F ccsdt_lr_alpha2_9_15_2.F ccsdt_lr_alpha2_9_15_2_1.F OFFSET_ccsdt_lr_alpha2_9_15_2_1.F ccsdt_lr_alpha2_9_15_3.F ccsdt_lr_alpha2_9_15_3_1.F OFFSET_ccsdt_lr_alpha2_9_15_3_1.F ccsdt_lr_alpha2_9_15_4.F ccsdt_lr_alpha2_9_15_4_1.F OFFSET_ccsdt_lr_alpha2_9_15_4_1.F ccsdt_lr_alpha2_9_15_4_2.F ccsdt_lr_alpha2_9_15_4_2_1.F OFFSET_ccsdt_lr_alpha2_9_15_4_2_1.F ccsdt_lr_alpha2_9_15_4_2_2.F ccsdt_lr_alpha2_9_15_4_3.F ccsdt_lr_alpha2_9_15_4_3_1.F OFFSET_ccsdt_lr_alpha2_9_15_4_3_1.F ccsdt_lr_alpha2_9_15_4_3_2.F ccsdt_lr_alpha2_9_15_5.F ccsdt_lr_alpha2_9_15_5_1.F OFFSET_ccsdt_lr_alpha2_9_15_5_1.F ccsdt_lr_alpha2_9_15_6.F ccsdt_lr_alpha2_9_15_6_1.F OFFSET_ccsdt_lr_alpha2_9_15_6_1.F ccsdt_lr_alpha2_9_15_7.F ccsdt_lr_alpha2_9_15_7_1.F OFFSET_ccsdt_lr_alpha2_9_15_7_1.F ccsdt_lr_alpha2_9_15_7_1_1.F OFFSET_ccsdt_lr_alpha2_9_15_7_1_1.F ccsdt_lr_alpha2_9_15_8.F ccsdt_lr_alpha2_9_15_8_1.F OFFSET_ccsdt_lr_alpha2_9_15_8_1.F ccsdt_lr_alpha2_9_15_8_1_1.F OFFSET_ccsdt_lr_alpha2_9_15_8_1_1.F ccsdt_lr_alpha2_9_15_8_2.F ccsdt_lr_alpha2_9_15_8_2_1.F OFFSET_ccsdt_lr_alpha2_9_15_8_2_1.F ccsdt_lr_alpha2_9_16.F ccsdt_lr_alpha2_9_16_1.F OFFSET_ccsdt_lr_alpha2_9_16_1.F ccsdt_lr_alpha2_9_16_1_1.F OFFSET_ccsdt_lr_alpha2_9_16_1_1.F ccsdt_lr_alpha2_9_16_2.F ccsdt_lr_alpha2_9_16_2_1.F OFFSET_ccsdt_lr_alpha2_9_16_2_1.F ccsdt_lr_alpha2_9_17.F ccsdt_lr_alpha2_9_17_1.F OFFSET_ccsdt_lr_alpha2_9_17_1.F ccsdt_lr_alpha2_9_17_1_1.F OFFSET_ccsdt_lr_alpha2_9_17_1_1.F ccsdt_lr_alpha2_9_17_2.F ccsdt_lr_alpha2_9_17_2_1.F OFFSET_ccsdt_lr_alpha2_9_17_2_1.F ccsdt_lr_alpha2_9_18.F ccsdt_lr_alpha2_9_18_1.F OFFSET_ccsdt_lr_alpha2_9_18_1.F ccsdt_lr_alpha2_9_18_1_1.F OFFSET_ccsdt_lr_alpha2_9_18_1_1.F ccsdt_lr_alpha2_9_18_2.F ccsdt_lr_alpha2_9_18_2_1.F OFFSET_ccsdt_lr_alpha2_9_18_2_1.F ccsdt_lr_alpha2_9_19.F ccsdt_lr_alpha2_9_19_1.F OFFSET_ccsdt_lr_alpha2_9_19_1.F ccsdt_lr_alpha2_9_19_1_1.F OFFSET_ccsdt_lr_alpha2_9_19_1_1.F ccsdt_lr_alpha2_9_19_2.F ccsdt_lr_alpha2_9_19_2_1.F OFFSET_ccsdt_lr_alpha2_9_19_2_1.F ccsdt_lr_alpha2_9_19_3.F ccsdt_lr_alpha2_9_19_3_1.F OFFSET_ccsdt_lr_alpha2_9_19_3_1.F ccsdt_lr_alpha2_9_19_4.F ccsdt_lr_alpha2_9_19_4_1.F OFFSET_ccsdt_lr_alpha2_9_19_4_1.F ccsdt_lr_alpha2_9_20.F ccsdt_lr_alpha2_9_20_1.F OFFSET_ccsdt_lr_alpha2_9_20_1.F ccsdt_lr_alpha2_9_20_1_1.F OFFSET_ccsdt_lr_alpha2_9_20_1_1.F ccsdt_lr_alpha2_9_20_2.F ccsdt_lr_alpha2_9_20_2_1.F OFFSET_ccsdt_lr_alpha2_9_20_2_1.F ccsdt_lr_alpha2_9_21.F ccsdt_lr_alpha2_9_21_1.F OFFSET_ccsdt_lr_alpha2_9_21_1.F ccsdt_lr_alpha2_9_21_1_1.F OFFSET_ccsdt_lr_alpha2_9_21_1_1.F ccsdt_lr_alpha2_9_21_2.F ccsdt_lr_alpha2_9_21_2_1.F OFFSET_ccsdt_lr_alpha2_9_21_2_1.F ccsdt_lr_alpha2_9_22.F ccsdt_lr_alpha2_9_22_1.F OFFSET_ccsdt_lr_alpha2_9_22_1.F ccsdt_lr_alpha2_9_22_1_1.F OFFSET_ccsdt_lr_alpha2_9_22_1_1.F ccsdt_lr_alpha2_9_22_1_2.F ccsdt_lr_alpha2_9_22_1_3.F ccsdt_lr_alpha2_9_22_1_3_1.F OFFSET_ccsdt_lr_alpha2_9_22_1_3_1.F ccsdt_lr_alpha2_9_22_1_3_2.F ccsdt_lr_alpha2_9_22_1_4.F ccsdt_lr_alpha2_9_22_1_4_1.F OFFSET_ccsdt_lr_alpha2_9_22_1_4_1.F ccsdt_lr_alpha2_9_22_1_4_2.F ccsdt_lr_alpha2_9_22_2.F ccsdt_lr_alpha2_9_22_2_1.F OFFSET_ccsdt_lr_alpha2_9_22_2_1.F ccsdt_lr_alpha2_9_22_3.F ccsdt_lr_alpha2_9_22_3_1.F OFFSET_ccsdt_lr_alpha2_9_22_3_1.F ccsdt_lr_alpha2_9_22_4.F ccsdt_lr_alpha2_9_22_4_1.F OFFSET_ccsdt_lr_alpha2_9_22_4_1.F ccsdt_lr_alpha2_9_22_4_2.F ccsdt_lr_alpha2_9_22_4_3.F ccsdt_lr_alpha2_9_22_4_3_1.F OFFSET_ccsdt_lr_alpha2_9_22_4_3_1.F ccsdt_lr_alpha2_9_22_4_3_2.F ccsdt_lr_alpha2_9_22_4_4.F ccsdt_lr_alpha2_9_22_4_4_1.F OFFSET_ccsdt_lr_alpha2_9_22_4_4_1.F ccsdt_lr_alpha2_9_22_4_4_2.F ccsdt_lr_alpha2_9_22_5.F ccsdt_lr_alpha2_9_22_5_1.F OFFSET_ccsdt_lr_alpha2_9_22_5_1.F ccsdt_lr_alpha2_9_22_6.F ccsdt_lr_alpha2_9_22_6_1.F OFFSET_ccsdt_lr_alpha2_9_22_6_1.F ccsdt_lr_alpha2_9_22_7.F ccsdt_lr_alpha2_9_22_7_1.F OFFSET_ccsdt_lr_alpha2_9_22_7_1.F ccsdt_lr_alpha2_9_22_7_1_1.F OFFSET_ccsdt_lr_alpha2_9_22_7_1_1.F ccsdt_lr_alpha2_9_22_7_2.F ccsdt_lr_alpha2_9_22_7_2_1.F OFFSET_ccsdt_lr_alpha2_9_22_7_2_1.F ccsdt_lr_alpha2_9_22_8.F ccsdt_lr_alpha2_9_22_8_1.F OFFSET_ccsdt_lr_alpha2_9_22_8_1.F ccsdt_lr_alpha2_9_22_8_1_1.F OFFSET_ccsdt_lr_alpha2_9_22_8_1_1.F ccsdt_lr_alpha2_9_22_8_1_2.F ccsdt_lr_alpha2_9_22_8_2.F ccsdt_lr_alpha2_9_22_8_2_1.F OFFSET_ccsdt_lr_alpha2_9_22_8_2_1.F ccsdt_lr_alpha2_9_22_8_2_2.F ccsdt_lr_alpha2_9_22_9.F ccsdt_lr_alpha2_9_22_9_1.F OFFSET_ccsdt_lr_alpha2_9_22_9_1.F ccsdt_lr_alpha2_9_22_9_1_1.F OFFSET_ccsdt_lr_alpha2_9_22_9_1_1.F ccsdt_lr_alpha2_9_22_9_2.F ccsdt_lr_alpha2_9_22_9_2_1.F OFFSET_ccsdt_lr_alpha2_9_22_9_2_1.F ccsdt_lr_alpha2_9_22_10.F ccsdt_lr_alpha2_9_22_10_1.F OFFSET_ccsdt_lr_alpha2_9_22_10_1.F ccsdt_lr_alpha2_9_22_10_1_1.F OFFSET_ccsdt_lr_alpha2_9_22_10_1_1.F ccsdt_lr_alpha2_9_22_10_2.F ccsdt_lr_alpha2_9_22_10_2_1.F OFFSET_ccsdt_lr_alpha2_9_22_10_2_1.F ccsdt_lr_alpha2_9_23.F ccsdt_lr_alpha2_9_23_1.F OFFSET_ccsdt_lr_alpha2_9_23_1.F ccsdt_lr_alpha2_9_23_1_1.F OFFSET_ccsdt_lr_alpha2_9_23_1_1.F ccsdt_lr_alpha2_9_23_2.F ccsdt_lr_alpha2_9_23_2_1.F OFFSET_ccsdt_lr_alpha2_9_23_2_1.F ccsdt_lr_alpha2_9_24.F ccsdt_lr_alpha2_9_24_1.F OFFSET_ccsdt_lr_alpha2_9_24_1.F ccsdt_lr_alpha2_9_24_1_1.F OFFSET_ccsdt_lr_alpha2_9_24_1_1.F ccsdt_lr_alpha2_9_24_2.F ccsdt_lr_alpha2_9_24_2_1.F OFFSET_ccsdt_lr_alpha2_9_24_2_1.F ccsdt_lr_alpha2_9_25.F ccsdt_lr_alpha2_9_25_1.F OFFSET_ccsdt_lr_alpha2_9_25_1.F ccsdt_lr_alpha2_9_25_1_1.F OFFSET_ccsdt_lr_alpha2_9_25_1_1.F ccsdt_lr_alpha2_9_25_2.F ccsdt_lr_alpha2_9_25_2_1.F OFFSET_ccsdt_lr_alpha2_9_25_2_1.F ccsdt_lr_alpha2_9_25_3.F ccsdt_lr_alpha2_9_25_3_1.F OFFSET_ccsdt_lr_alpha2_9_25_3_1.F ccsdt_lr_alpha2_9_25_4.F ccsdt_lr_alpha2_9_25_4_1.F OFFSET_ccsdt_lr_alpha2_9_25_4_1.F ccsdt_lr_alpha2_9_26.F ccsdt_lr_alpha2_9_26_1.F OFFSET_ccsdt_lr_alpha2_9_26_1.F ccsdt_lr_alpha2_9_26_1_1.F OFFSET_ccsdt_lr_alpha2_9_26_1_1.F ccsdt_lr_alpha2_9_26_2.F ccsdt_lr_alpha2_9_26_2_1.F OFFSET_ccsdt_lr_alpha2_9_26_2_1.F ccsdt_lr_alpha2_9_27.F ccsdt_lr_alpha2_9_27_1.F OFFSET_ccsdt_lr_alpha2_9_27_1.F ccsdt_lr_alpha2_9_27_1_1.F OFFSET_ccsdt_lr_alpha2_9_27_1_1.F ccsdt_lr_alpha2_9_27_2.F ccsdt_lr_alpha2_9_27_2_1.F OFFSET_ccsdt_lr_alpha2_9_27_2_1.F ccsdt_lr_alpha2_9_28.F ccsdt_lr_alpha2_9_28_1.F OFFSET_ccsdt_lr_alpha2_9_28_1.F ccsdt_lr_alpha2_9_28_1_1.F OFFSET_ccsdt_lr_alpha2_9_28_1_1.F ccsdt_lr_alpha2_9_28_1_2.F ccsdt_lr_alpha2_9_28_1_3.F ccsdt_lr_alpha2_9_28_1_3_1.F OFFSET_ccsdt_lr_alpha2_9_28_1_3_1.F ccsdt_lr_alpha2_9_28_1_3_2.F ccsdt_lr_alpha2_9_28_1_4.F ccsdt_lr_alpha2_9_28_1_4_1.F OFFSET_ccsdt_lr_alpha2_9_28_1_4_1.F ccsdt_lr_alpha2_9_28_1_4_2.F ccsdt_lr_alpha2_9_28_2.F ccsdt_lr_alpha2_9_28_2_1.F OFFSET_ccsdt_lr_alpha2_9_28_2_1.F ccsdt_lr_alpha2_9_28_3.F ccsdt_lr_alpha2_9_28_3_1.F OFFSET_ccsdt_lr_alpha2_9_28_3_1.F ccsdt_lr_alpha2_9_28_4.F ccsdt_lr_alpha2_9_28_4_1.F OFFSET_ccsdt_lr_alpha2_9_28_4_1.F ccsdt_lr_alpha2_9_28_4_2.F ccsdt_lr_alpha2_9_28_4_3.F ccsdt_lr_alpha2_9_28_4_3_1.F OFFSET_ccsdt_lr_alpha2_9_28_4_3_1.F ccsdt_lr_alpha2_9_28_4_3_2.F ccsdt_lr_alpha2_9_28_5.F ccsdt_lr_alpha2_9_28_5_1.F OFFSET_ccsdt_lr_alpha2_9_28_5_1.F ccsdt_lr_alpha2_9_28_6.F ccsdt_lr_alpha2_9_28_6_1.F OFFSET_ccsdt_lr_alpha2_9_28_6_1.F ccsdt_lr_alpha2_9_28_7.F ccsdt_lr_alpha2_9_28_7_1.F OFFSET_ccsdt_lr_alpha2_9_28_7_1.F ccsdt_lr_alpha2_9_28_7_1_1.F OFFSET_ccsdt_lr_alpha2_9_28_7_1_1.F ccsdt_lr_alpha2_9_28_7_2.F ccsdt_lr_alpha2_9_28_7_2_1.F OFFSET_ccsdt_lr_alpha2_9_28_7_2_1.F ccsdt_lr_alpha2_9_28_8.F ccsdt_lr_alpha2_9_28_8_1.F OFFSET_ccsdt_lr_alpha2_9_28_8_1.F ccsdt_lr_alpha2_9_28_8_1_1.F OFFSET_ccsdt_lr_alpha2_9_28_8_1_1.F ccsdt_lr_alpha2_9_29.F ccsdt_lr_alpha2_9_29_1.F OFFSET_ccsdt_lr_alpha2_9_29_1.F ccsdt_lr_alpha2_9_29_1_1.F OFFSET_ccsdt_lr_alpha2_9_29_1_1.F ccsdt_lr_alpha2_9_29_2.F ccsdt_lr_alpha2_9_29_2_1.F OFFSET_ccsdt_lr_alpha2_9_29_2_1.F ccsdt_lr_alpha2_9_30.F ccsdt_lr_alpha2_9_30_1.F OFFSET_ccsdt_lr_alpha2_9_30_1.F ccsdt_lr_alpha2_9_30_1_1.F OFFSET_ccsdt_lr_alpha2_9_30_1_1.F ccsdt_lr_alpha2_9_30_2.F ccsdt_lr_alpha2_9_30_2_1.F OFFSET_ccsdt_lr_alpha2_9_30_2_1.F ccsdt_lr_alpha2_9_31.F ccsdt_lr_alpha2_9_31_1.F OFFSET_ccsdt_lr_alpha2_9_31_1.F ccsdt_lr_alpha2_9_31_1_1.F OFFSET_ccsdt_lr_alpha2_9_31_1_1.F ccsdt_lr_alpha2_9_31_2.F ccsdt_lr_alpha2_9_31_2_1.F OFFSET_ccsdt_lr_alpha2_9_31_2_1.F ccsdt_lr_alpha2_9_31_3.F ccsdt_lr_alpha2_9_31_3_1.F OFFSET_ccsdt_lr_alpha2_9_31_3_1.F ccsdt_lr_alpha2_9_31_4.F ccsdt_lr_alpha2_9_31_4_1.F OFFSET_ccsdt_lr_alpha2_9_31_4_1.F ccsdt_lr_alpha2_9_32.F ccsdt_lr_alpha2_9_32_1.F OFFSET_ccsdt_lr_alpha2_9_32_1.F ccsdt_lr_alpha2_9_32_1_1.F OFFSET_ccsdt_lr_alpha2_9_32_1_1.F ccsdt_lr_alpha2_9_32_2.F ccsdt_lr_alpha2_9_32_2_1.F OFFSET_ccsdt_lr_alpha2_9_32_2_1.F ccsdt_lr_alpha2_9_33.F ccsdt_lr_alpha2_9_33_1.F OFFSET_ccsdt_lr_alpha2_9_33_1.F ccsdt_lr_alpha2_9_33_1_1.F OFFSET_ccsdt_lr_alpha2_9_33_1_1.F ccsdt_lr_alpha2_9_33_2.F ccsdt_lr_alpha2_9_33_2_1.F OFFSET_ccsdt_lr_alpha2_9_33_2_1.F ccsdt_lr_alpha2_9_34.F ccsdt_lr_alpha2_9_34_1.F OFFSET_ccsdt_lr_alpha2_9_34_1.F ccsdt_lr_alpha2_9_34_1_1.F OFFSET_ccsdt_lr_alpha2_9_34_1_1.F ccsdt_lr_alpha2_9_34_2.F ccsdt_lr_alpha2_9_34_2_1.F OFFSET_ccsdt_lr_alpha2_9_34_2_1.F ccsdt_lr_alpha2_10.F ccsdt_lr_alpha2_10_1.F OFFSET_ccsdt_lr_alpha2_10_1.F ccsdt_lr_alpha2_10_1_1.F OFFSET_ccsdt_lr_alpha2_10_1_1.F ccsdt_lr_alpha2_10_2.F ccsdt_lr_alpha2_10_2_1.F OFFSET_ccsdt_lr_alpha2_10_2_1.F ccsdt_lr_alpha2_10_3.F ccsdt_lr_alpha2_10_3_1.F OFFSET_ccsdt_lr_alpha2_10_3_1.F ccsdt_lr_alpha2_10_4.F ccsdt_lr_alpha2_10_4_1.F OFFSET_ccsdt_lr_alpha2_10_4_1.F ccsdt_lr_alpha2_10_5.F ccsdt_lr_alpha2_10_5_1.F OFFSET_ccsdt_lr_alpha2_10_5_1.F ccsdt_lr_alpha2_10_6.F ccsdt_lr_alpha2_10_6_1.F OFFSET_ccsdt_lr_alpha2_10_6_1.F ccsdt_lr_alpha2_10_7.F ccsdt_lr_alpha2_10_7_1.F OFFSET_ccsdt_lr_alpha2_10_7_1.F ccsdt_lr_alpha2_10_8.F ccsdt_lr_alpha2_10_8_1.F OFFSET_ccsdt_lr_alpha2_10_8_1.F ccsdt_lr_alpha2_10_9.F ccsdt_lr_alpha2_10_9_1.F OFFSET_ccsdt_lr_alpha2_10_9_1.F ccsdt_lr_alpha2_10_10.F ccsdt_lr_alpha2_10_10_1.F OFFSET_ccsdt_lr_alpha2_10_10_1.F ccsdt_lr_alpha2_10_11.F ccsdt_lr_alpha2_10_11_1.F OFFSET_ccsdt_lr_alpha2_10_11_1.F ccsdt_lr_alpha2_10_11_1_1.F OFFSET_ccsdt_lr_alpha2_10_11_1_1.F ccsdt_lr_alpha2_10_11_2.F ccsdt_lr_alpha2_10_11_2_1.F OFFSET_ccsdt_lr_alpha2_10_11_2_1.F ccsdt_lr_alpha2_10_11_3.F ccsdt_lr_alpha2_10_11_3_1.F OFFSET_ccsdt_lr_alpha2_10_11_3_1.F ccsdt_lr_alpha2_10_11_4.F ccsdt_lr_alpha2_10_11_4_1.F OFFSET_ccsdt_lr_alpha2_10_11_4_1.F ccsdt_lr_alpha2_10_12.F ccsdt_lr_alpha2_10_12_1.F OFFSET_ccsdt_lr_alpha2_10_12_1.F ccsdt_lr_alpha2_10_12_1_1.F OFFSET_ccsdt_lr_alpha2_10_12_1_1.F ccsdt_lr_alpha2_10_12_2.F ccsdt_lr_alpha2_10_12_2_1.F OFFSET_ccsdt_lr_alpha2_10_12_2_1.F ccsdt_lr_alpha2_10_12_3.F ccsdt_lr_alpha2_10_12_3_1.F OFFSET_ccsdt_lr_alpha2_10_12_3_1.F ccsdt_lr_alpha2_10_12_4.F ccsdt_lr_alpha2_10_12_4_1.F OFFSET_ccsdt_lr_alpha2_10_12_4_1.F ccsdt_lr_alpha2_10_13.F ccsdt_lr_alpha2_10_13_1.F OFFSET_ccsdt_lr_alpha2_10_13_1.F ccsdt_lr_alpha2_10_13_1_1.F OFFSET_ccsdt_lr_alpha2_10_13_1_1.F ccsdt_lr_alpha2_10_13_2.F ccsdt_lr_alpha2_10_13_2_1.F OFFSET_ccsdt_lr_alpha2_10_13_2_1.F ccsdt_lr_alpha2_10_13_3.F ccsdt_lr_alpha2_10_13_3_1.F OFFSET_ccsdt_lr_alpha2_10_13_3_1.F ccsdt_lr_alpha2_10_13_4.F ccsdt_lr_alpha2_10_13_4_1.F OFFSET_ccsdt_lr_alpha2_10_13_4_1.F ccsdt_lr_alpha2_11.F ccsdt_lr_alpha2_11_1.F OFFSET_ccsdt_lr_alpha2_11_1.F converting ccsdt_lr_alpha1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_1_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_1_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_3_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_10_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_10_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_15_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_18_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_6_18_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_6_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_7_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_7_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_12_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_13_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_14_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_14_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_7_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_7_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_13_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_15_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_15_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_18_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_18_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_19_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_20_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_20_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_20_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_21_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_21_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_21_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_22_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_22_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_23_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_23_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_23_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_24_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_24_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_24_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_24_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_25_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_25_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_25_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_25_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_26_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_26_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_26_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_27.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_27_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_27_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_27_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_27_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_27_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_27_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_28_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_28_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_29.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_29_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_29_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_29_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_29_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_29_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_29_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_29_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_30.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_30_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_30_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_30_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_30_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_30_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_30_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_30_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_31_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_31_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_31_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_31_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_31_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_31_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_32.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_32_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_32_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_32_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_32_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_32_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_32_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_32_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_33.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_33_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_33_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_33_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_33_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_33_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_33_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_33_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_34.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_34_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_34_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_34_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_34_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_34_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_9_34_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_9_34_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_11_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_12_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_10_13_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_10_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_alpha2_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_alpha2_11_1.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' Making 64_to_32 in ccsdt_yr make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_lambda_o1.F ccsdt_lambda_o1_1.F ccsdt_lambda_o1_1_1.F OFFSET_ccsdt_lambda_o1_1_1.F ccsdt_lambda_o1_1_2.F ccsdt_lambda_o1_2.F ccsdt_lambda_o1_3.F ccsdt_lambda_o1_4.F ccsdt_lambda_o1_4_1.F OFFSET_ccsdt_lambda_o1_4_1.F ccsdt_lambda_o1_4_2.F ccsdt_lambda_o1_4_3.F ccsdt_lambda_o1_5.F ccsdt_lambda_o1_5_1.F OFFSET_ccsdt_lambda_o1_5_1.F ccsdt_lambda_o1_6.F ccsdt_lambda_o1_6_1.F OFFSET_ccsdt_lambda_o1_6_1.F ccsdt_lambda_o2.F ccsdt_lambda_o2_1.F ccsdt_lambda_o2_2.F ccsdt_lambda_o2_2_1.F OFFSET_ccsdt_lambda_o2_2_1.F ccsdt_lambda_o2_2_2.F ccsdt_lambda_o2_3.F ccsdt_lambda_o2_4.F ccsdt_lambda_o2_4_1.F OFFSET_ccsdt_lambda_o2_4_1.F ccsdt_lambda_o2_4_2.F ccsdt_lambda_o2_5.F ccsdt_lambda_o2_5_1.F OFFSET_ccsdt_lambda_o2_5_1.F ccsdt_lambda_o3.F ccsdt_lambda_o3_1.F ccsdt_lambda_o3_2.F ccsdt_lambda_o3_3.F ccsdt_lambda_o3_4.F ccsdt_lambda_o3_4_1.F OFFSET_ccsdt_lambda_o3_4_1.F ccsdt_lambda_o3_5.F ccsdt_lambda_o3_5_1.F OFFSET_ccsdt_lambda_o3_5_1.F ccsdt_y_tr1.F ccsdt_y_tr1_1.F ccsdt_y_tr1_1_1.F OFFSET_ccsdt_y_tr1_1_1.F ccsdt_y_tr1_1_1_1.F OFFSET_ccsdt_y_tr1_1_1_1.F ccsdt_y_tr1_1_1_2.F ccsdt_y_tr1_1_2.F ccsdt_y_tr1_1_3.F ccsdt_y_tr1_1_4.F ccsdt_y_tr1_1_4_1.F OFFSET_ccsdt_y_tr1_1_4_1.F ccsdt_y_tr1_2.F ccsdt_y_tr1_2_1.F OFFSET_ccsdt_y_tr1_2_1.F ccsdt_y_tr1_2_2.F ccsdt_y_tr1_2_3.F ccsdt_y_tr1_3.F ccsdt_y_tr1_3_1.F OFFSET_ccsdt_y_tr1_3_1.F ccsdt_y_tr1_3_2.F ccsdt_y_tr1_3_3.F ccsdt_y_tr1_4.F ccsdt_y_tr1_4_1.F OFFSET_ccsdt_y_tr1_4_1.F ccsdt_y_tr1_4_2.F ccsdt_y_tr1_4_3.F ccsdt_y_tr1_5.F ccsdt_y_tr1_5_1.F OFFSET_ccsdt_y_tr1_5_1.F ccsdt_y_tr1_5_2.F ccsdt_y_tr1_5_2_1.F OFFSET_ccsdt_y_tr1_5_2_1.F ccsdt_y_tr1_5_3.F ccsdt_y_tr1_5_3_1.F OFFSET_ccsdt_y_tr1_5_3_1.F ccsdt_y_tr1_6.F ccsdt_y_tr1_6_1.F OFFSET_ccsdt_y_tr1_6_1.F ccsdt_y_tr1_6_1_1.F OFFSET_ccsdt_y_tr1_6_1_1.F ccsdt_y_tr1_6_1_2.F ccsdt_y_tr1_6_1_2_1.F OFFSET_ccsdt_y_tr1_6_1_2_1.F ccsdt_y_tr1_6_1_2_2.F ccsdt_y_tr1_6_1_3.F ccsdt_y_tr1_6_2.F ccsdt_y_tr1_6_2_1.F OFFSET_ccsdt_y_tr1_6_2_1.F ccsdt_y_tr1_6_2_2.F ccsdt_y_tr1_6_3.F ccsdt_y_tr1_6_3_1.F OFFSET_ccsdt_y_tr1_6_3_1.F ccsdt_y_tr1_6_3_2.F ccsdt_y_tr1_6_4.F ccsdt_y_tr1_6_4_1.F OFFSET_ccsdt_y_tr1_6_4_1.F ccsdt_y_tr1_6_4_2.F ccsdt_y_tr1_6_5.F ccsdt_y_tr1_6_6.F ccsdt_y_tr1_6_7.F ccsdt_y_tr1_6_7_1.F OFFSET_ccsdt_y_tr1_6_7_1.F ccsdt_y_tr1_6_7_1_1.F OFFSET_ccsdt_y_tr1_6_7_1_1.F ccsdt_y_tr1_6_7_1_2.F ccsdt_y_tr1_6_7_2.F ccsdt_y_tr1_6_7_3.F ccsdt_y_tr1_6_7_3_1.F OFFSET_ccsdt_y_tr1_6_7_3_1.F ccsdt_y_tr1_6_8.F ccsdt_y_tr1_6_8_1.F OFFSET_ccsdt_y_tr1_6_8_1.F ccsdt_y_tr1_6_9.F ccsdt_y_tr1_6_9_1.F OFFSET_ccsdt_y_tr1_6_9_1.F ccsdt_y_tr1_6_10.F ccsdt_y_tr1_6_10_1.F OFFSET_ccsdt_y_tr1_6_10_1.F ccsdt_y_tr1_7.F ccsdt_y_tr1_7_1.F OFFSET_ccsdt_y_tr1_7_1.F ccsdt_y_tr1_7_2.F ccsdt_y_tr1_8.F ccsdt_y_tr1_8_1.F OFFSET_ccsdt_y_tr1_8_1.F ccsdt_y_tr1_9.F ccsdt_y_tr1_9_1.F OFFSET_ccsdt_y_tr1_9_1.F ccsdt_y_tr1_9_2.F ccsdt_y_tr1_9_3.F ccsdt_y_tr1_9_3_1.F OFFSET_ccsdt_y_tr1_9_3_1.F ccsdt_y_tr1_9_3_2.F ccsdt_y_tr1_9_3_3.F ccsdt_y_tr1_9_4.F ccsdt_y_tr1_9_4_1.F OFFSET_ccsdt_y_tr1_9_4_1.F ccsdt_y_tr1_9_4_2.F ccsdt_y_tr1_9_4_3.F ccsdt_y_tr1_9_5.F ccsdt_y_tr1_9_5_1.F OFFSET_ccsdt_y_tr1_9_5_1.F ccsdt_y_tr1_9_5_2.F ccsdt_y_tr1_9_5_2_1.F OFFSET_ccsdt_y_tr1_9_5_2_1.F ccsdt_y_tr1_9_5_2_2.F ccsdt_y_tr1_9_6.F ccsdt_y_tr1_9_6_1.F OFFSET_ccsdt_y_tr1_9_6_1.F ccsdt_y_tr1_9_7.F ccsdt_y_tr1_9_7_1.F OFFSET_ccsdt_y_tr1_9_7_1.F ccsdt_y_tr1_9_7_2.F ccsdt_y_tr1_9_7_2_1.F OFFSET_ccsdt_y_tr1_9_7_2_1.F ccsdt_y_tr1_9_7_2_2.F ccsdt_y_tr1_9_8.F ccsdt_y_tr1_9_8_1.F OFFSET_ccsdt_y_tr1_9_8_1.F ccsdt_y_tr1_10.F ccsdt_y_tr1_10_1.F OFFSET_ccsdt_y_tr1_10_1.F ccsdt_y_tr1_10_2.F ccsdt_y_tr1_10_3.F ccsdt_y_tr1_10_3_1.F OFFSET_ccsdt_y_tr1_10_3_1.F ccsdt_y_tr1_10_3_2.F ccsdt_y_tr1_10_3_3.F ccsdt_y_tr1_10_3_3_1.F OFFSET_ccsdt_y_tr1_10_3_3_1.F ccsdt_y_tr1_10_3_3_2.F ccsdt_y_tr1_10_3_4.F ccsdt_y_tr1_10_3_4_1.F OFFSET_ccsdt_y_tr1_10_3_4_1.F ccsdt_y_tr1_10_3_4_2.F ccsdt_y_tr1_10_4.F ccsdt_y_tr1_10_4_1.F OFFSET_ccsdt_y_tr1_10_4_1.F ccsdt_y_tr1_10_5.F ccsdt_y_tr1_10_5_1.F OFFSET_ccsdt_y_tr1_10_5_1.F ccsdt_y_tr1_10_5_2.F ccsdt_y_tr1_10_6.F ccsdt_y_tr1_10_6_1.F OFFSET_ccsdt_y_tr1_10_6_1.F ccsdt_y_tr1_10_7.F ccsdt_y_tr1_10_7_1.F OFFSET_ccsdt_y_tr1_10_7_1.F ccsdt_y_tr1_10_8.F ccsdt_y_tr1_10_8_1.F OFFSET_ccsdt_y_tr1_10_8_1.F ccsdt_y_tr1_10_8_1_1.F OFFSET_ccsdt_y_tr1_10_8_1_1.F ccsdt_y_tr1_10_8_1_2.F ccsdt_y_tr1_10_9.F ccsdt_y_tr1_10_9_1.F OFFSET_ccsdt_y_tr1_10_9_1.F ccsdt_y_tr1_10_9_2.F ccsdt_y_tr1_10_9_3.F ccsdt_y_tr1_10_9_3_1.F OFFSET_ccsdt_y_tr1_10_9_3_1.F ccsdt_y_tr1_10_9_3_2.F ccsdt_y_tr1_10_10.F ccsdt_y_tr1_10_10_1.F OFFSET_ccsdt_y_tr1_10_10_1.F ccsdt_y_tr1_10_11.F ccsdt_y_tr1_10_11_1.F OFFSET_ccsdt_y_tr1_10_11_1.F ccsdt_y_tr1_10_11_2.F ccsdt_y_tr1_10_12.F ccsdt_y_tr1_10_12_1.F OFFSET_ccsdt_y_tr1_10_12_1.F ccsdt_y_tr1_10_13.F ccsdt_y_tr1_10_13_1.F OFFSET_ccsdt_y_tr1_10_13_1.F ccsdt_y_tr1_10_14.F ccsdt_y_tr1_10_14_1.F OFFSET_ccsdt_y_tr1_10_14_1.F ccsdt_y_tr1_10_14_1_1.F OFFSET_ccsdt_y_tr1_10_14_1_1.F ccsdt_y_tr1_10_14_1_2.F ccsdt_y_tr1_10_15.F ccsdt_y_tr1_10_15_1.F OFFSET_ccsdt_y_tr1_10_15_1.F ccsdt_y_tr1_10_15_1_1.F OFFSET_ccsdt_y_tr1_10_15_1_1.F ccsdt_y_tr1_10_16.F ccsdt_y_tr1_10_16_1.F OFFSET_ccsdt_y_tr1_10_16_1.F ccsdt_y_tr1_10_16_1_1.F OFFSET_ccsdt_y_tr1_10_16_1_1.F ccsdt_y_tr1_10_16_2.F ccsdt_y_tr1_10_16_2_1.F OFFSET_ccsdt_y_tr1_10_16_2_1.F ccsdt_y_tr1_11.F ccsdt_y_tr1_11_1.F OFFSET_ccsdt_y_tr1_11_1.F ccsdt_y_tr1_11_2.F ccsdt_y_tr1_11_3.F ccsdt_y_tr1_11_3_1.F OFFSET_ccsdt_y_tr1_11_3_1.F ccsdt_y_tr1_11_4.F ccsdt_y_tr1_11_4_1.F OFFSET_ccsdt_y_tr1_11_4_1.F ccsdt_y_tr1_11_5.F ccsdt_y_tr1_11_5_1.F OFFSET_ccsdt_y_tr1_11_5_1.F ccsdt_y_tr1_11_6.F ccsdt_y_tr1_11_6_1.F OFFSET_ccsdt_y_tr1_11_6_1.F ccsdt_y_tr1_12.F ccsdt_y_tr1_12_1.F OFFSET_ccsdt_y_tr1_12_1.F ccsdt_y_tr1_12_2.F ccsdt_y_tr1_12_3.F ccsdt_y_tr1_12_3_1.F OFFSET_ccsdt_y_tr1_12_3_1.F ccsdt_y_tr1_12_3_2.F ccsdt_y_tr1_12_4.F ccsdt_y_tr1_12_4_1.F OFFSET_ccsdt_y_tr1_12_4_1.F ccsdt_y_tr1_12_4_2.F ccsdt_y_tr1_12_5.F ccsdt_y_tr1_12_5_1.F OFFSET_ccsdt_y_tr1_12_5_1.F ccsdt_y_tr1_12_6.F ccsdt_y_tr1_12_6_1.F OFFSET_ccsdt_y_tr1_12_6_1.F ccsdt_y_tr1_13.F ccsdt_y_tr1_13_1.F OFFSET_ccsdt_y_tr1_13_1.F ccsdt_y_tr1_14.F ccsdt_y_tr1_14_1.F OFFSET_ccsdt_y_tr1_14_1.F ccsdt_y_tr1_14_1_1.F OFFSET_ccsdt_y_tr1_14_1_1.F ccsdt_y_tr1_14_1_2.F ccsdt_y_tr1_14_1_3.F ccsdt_y_tr1_14_1_4.F ccsdt_y_tr1_14_1_4_1.F OFFSET_ccsdt_y_tr1_14_1_4_1.F ccsdt_y_tr1_14_1_4_2.F ccsdt_y_tr1_14_2.F ccsdt_y_tr1_14_2_1.F OFFSET_ccsdt_y_tr1_14_2_1.F ccsdt_y_tr1_14_2_2.F ccsdt_y_tr1_14_3.F ccsdt_y_tr1_14_3_1.F OFFSET_ccsdt_y_tr1_14_3_1.F ccsdt_y_tr1_14_3_2.F ccsdt_y_tr1_14_4.F ccsdt_y_tr1_14_5.F ccsdt_y_tr1_14_5_1.F OFFSET_ccsdt_y_tr1_14_5_1.F ccsdt_y_tr1_14_6.F ccsdt_y_tr1_14_6_1.F OFFSET_ccsdt_y_tr1_14_6_1.F ccsdt_y_tr1_14_6_2.F ccsdt_y_tr1_14_6_3.F ccsdt_y_tr1_14_6_3_1.F OFFSET_ccsdt_y_tr1_14_6_3_1.F ccsdt_y_tr1_14_6_3_2.F ccsdt_y_tr1_14_7.F ccsdt_y_tr1_14_7_1.F OFFSET_ccsdt_y_tr1_14_7_1.F ccsdt_y_tr1_14_8.F ccsdt_y_tr1_14_8_1.F OFFSET_ccsdt_y_tr1_14_8_1.F ccsdt_y_tr1_14_9.F ccsdt_y_tr1_14_9_1.F OFFSET_ccsdt_y_tr1_14_9_1.F ccsdt_y_tr1_14_10.F ccsdt_y_tr1_14_10_1.F OFFSET_ccsdt_y_tr1_14_10_1.F ccsdt_y_tr1_14_10_1_1.F OFFSET_ccsdt_y_tr1_14_10_1_1.F ccsdt_y_tr1_14_10_2.F ccsdt_y_tr1_14_10_2_1.F OFFSET_ccsdt_y_tr1_14_10_2_1.F ccsdt_y_tr1_14_11.F ccsdt_y_tr1_14_11_1.F OFFSET_ccsdt_y_tr1_14_11_1.F ccsdt_y_tr1_14_11_1_1.F OFFSET_ccsdt_y_tr1_14_11_1_1.F ccsdt_y_tr1_15.F ccsdt_y_tr1_15_1.F OFFSET_ccsdt_y_tr1_15_1.F ccsdt_y_tr1_16.F ccsdt_y_tr1_16_1.F OFFSET_ccsdt_y_tr1_16_1.F ccsdt_y_tr1_16_1_1.F OFFSET_ccsdt_y_tr1_16_1_1.F ccsdt_y_tr1_16_2.F ccsdt_y_tr1_16_2_1.F OFFSET_ccsdt_y_tr1_16_2_1.F ccsdt_y_tr1_17.F ccsdt_y_tr1_17_1.F OFFSET_ccsdt_y_tr1_17_1.F ccsdt_y_tr1_17_1_1.F OFFSET_ccsdt_y_tr1_17_1_1.F ccsdt_y_tr1_17_1_1_1.F OFFSET_ccsdt_y_tr1_17_1_1_1.F ccsdt_y_tr1_17_1_1_2.F ccsdt_y_tr1_17_2.F ccsdt_y_tr1_17_2_1.F OFFSET_ccsdt_y_tr1_17_2_1.F ccsdt_y_tr1_17_2_1_1.F OFFSET_ccsdt_y_tr1_17_2_1_1.F ccsdt_y_tr1_17_2_1_2.F ccsdt_y_tr1_17_3.F ccsdt_y_tr1_17_3_1.F OFFSET_ccsdt_y_tr1_17_3_1.F ccsdt_y_tr1_17_3_1_1.F OFFSET_ccsdt_y_tr1_17_3_1_1.F ccsdt_y_tr1_17_4.F ccsdt_y_tr1_17_4_1.F OFFSET_ccsdt_y_tr1_17_4_1.F ccsdt_y_tr1_17_4_1_1.F OFFSET_ccsdt_y_tr1_17_4_1_1.F ccsdt_y_tr1_17_4_2.F ccsdt_y_tr1_17_4_2_1.F OFFSET_ccsdt_y_tr1_17_4_2_1.F ccsdt_y_tr2.F ccsdt_y_tr2_1.F ccsdt_y_tr2_1_1.F OFFSET_ccsdt_y_tr2_1_1.F ccsdt_y_tr2_2.F ccsdt_y_tr2_2_1.F OFFSET_ccsdt_y_tr2_2_1.F ccsdt_y_tr2_2_2.F ccsdt_y_tr2_2_3.F ccsdt_y_tr2_3.F ccsdt_y_tr2_3_1.F OFFSET_ccsdt_y_tr2_3_1.F ccsdt_y_tr2_4.F ccsdt_y_tr2_4_1.F OFFSET_ccsdt_y_tr2_4_1.F ccsdt_y_tr2_4_1_1.F OFFSET_ccsdt_y_tr2_4_1_1.F ccsdt_y_tr2_4_1_2.F ccsdt_y_tr2_4_2.F ccsdt_y_tr2_4_3.F ccsdt_y_tr2_4_4.F ccsdt_y_tr2_4_4_1.F OFFSET_ccsdt_y_tr2_4_4_1.F ccsdt_y_tr2_5.F ccsdt_y_tr2_5_1.F OFFSET_ccsdt_y_tr2_5_1.F ccsdt_y_tr2_5_2.F ccsdt_y_tr2_6.F ccsdt_y_tr2_6_1.F OFFSET_ccsdt_y_tr2_6_1.F ccsdt_y_tr2_6_1_1.F OFFSET_ccsdt_y_tr2_6_1_1.F ccsdt_y_tr2_6_1_2.F ccsdt_y_tr2_6_2.F ccsdt_y_tr2_6_3.F ccsdt_y_tr2_6_3_1.F OFFSET_ccsdt_y_tr2_6_3_1.F ccsdt_y_tr2_7.F ccsdt_y_tr2_7_1.F OFFSET_ccsdt_y_tr2_7_1.F ccsdt_y_tr2_7_2.F ccsdt_y_tr2_8.F ccsdt_y_tr2_8_1.F OFFSET_ccsdt_y_tr2_8_1.F ccsdt_y_tr2_8_2.F ccsdt_y_tr2_9.F ccsdt_y_tr2_9_1.F OFFSET_ccsdt_y_tr2_9_1.F ccsdt_y_tr2_9_2.F ccsdt_y_tr2_10.F ccsdt_y_tr2_10_1.F OFFSET_ccsdt_y_tr2_10_1.F ccsdt_y_tr2_10_2.F ccsdt_y_tr2_10_3.F ccsdt_y_tr2_10_3_1.F OFFSET_ccsdt_y_tr2_10_3_1.F ccsdt_y_tr2_10_4.F ccsdt_y_tr2_10_4_1.F OFFSET_ccsdt_y_tr2_10_4_1.F ccsdt_y_tr2_11.F ccsdt_y_tr2_11_1.F OFFSET_ccsdt_y_tr2_11_1.F ccsdt_y_tr2_11_1_1.F OFFSET_ccsdt_y_tr2_11_1_1.F ccsdt_y_tr2_11_1_2.F ccsdt_y_tr2_11_1_2_1.F OFFSET_ccsdt_y_tr2_11_1_2_1.F ccsdt_y_tr2_11_1_2_2.F ccsdt_y_tr2_11_1_3.F ccsdt_y_tr2_11_2.F ccsdt_y_tr2_11_2_1.F OFFSET_ccsdt_y_tr2_11_2_1.F ccsdt_y_tr2_11_2_2.F ccsdt_y_tr2_11_3.F ccsdt_y_tr2_11_3_1.F OFFSET_ccsdt_y_tr2_11_3_1.F ccsdt_y_tr2_11_3_2.F ccsdt_y_tr2_11_4.F ccsdt_y_tr2_11_4_1.F OFFSET_ccsdt_y_tr2_11_4_1.F ccsdt_y_tr2_11_4_2.F ccsdt_y_tr2_11_5.F ccsdt_y_tr2_11_6.F ccsdt_y_tr2_11_7.F ccsdt_y_tr2_11_7_1.F OFFSET_ccsdt_y_tr2_11_7_1.F ccsdt_y_tr2_11_7_1_1.F OFFSET_ccsdt_y_tr2_11_7_1_1.F ccsdt_y_tr2_11_7_1_2.F ccsdt_y_tr2_11_7_2.F ccsdt_y_tr2_11_7_3.F ccsdt_y_tr2_11_7_3_1.F OFFSET_ccsdt_y_tr2_11_7_3_1.F ccsdt_y_tr2_11_8.F ccsdt_y_tr2_11_8_1.F OFFSET_ccsdt_y_tr2_11_8_1.F ccsdt_y_tr2_11_9.F ccsdt_y_tr2_11_9_1.F OFFSET_ccsdt_y_tr2_11_9_1.F ccsdt_y_tr2_11_10.F ccsdt_y_tr2_11_10_1.F OFFSET_ccsdt_y_tr2_11_10_1.F ccsdt_y_tr2_12.F ccsdt_y_tr2_12_1.F OFFSET_ccsdt_y_tr2_12_1.F ccsdt_y_tr2_13.F ccsdt_y_tr2_13_1.F OFFSET_ccsdt_y_tr2_13_1.F ccsdt_y_tr2_14.F ccsdt_y_tr2_14_1.F OFFSET_ccsdt_y_tr2_14_1.F ccsdt_y_tr2_14_2.F ccsdt_y_tr2_14_2_1.F OFFSET_ccsdt_y_tr2_14_2_1.F ccsdt_y_tr2_14_2_2.F ccsdt_y_tr2_14_3.F ccsdt_y_tr2_14_4.F ccsdt_y_tr2_14_5.F ccsdt_y_tr2_14_5_1.F OFFSET_ccsdt_y_tr2_14_5_1.F ccsdt_y_tr2_14_6.F ccsdt_y_tr2_14_6_1.F OFFSET_ccsdt_y_tr2_14_6_1.F ccsdt_y_tr2_14_7.F ccsdt_y_tr2_14_7_1.F OFFSET_ccsdt_y_tr2_14_7_1.F ccsdt_y_tr2_14_8.F ccsdt_y_tr2_14_8_1.F OFFSET_ccsdt_y_tr2_14_8_1.F ccsdt_y_tr2_14_9.F ccsdt_y_tr2_14_9_1.F OFFSET_ccsdt_y_tr2_14_9_1.F ccsdt_y_tr2_15.F ccsdt_y_tr2_15_1.F OFFSET_ccsdt_y_tr2_15_1.F ccsdt_y_tr2_15_2.F ccsdt_y_tr2_16.F ccsdt_y_tr2_16_1.F OFFSET_ccsdt_y_tr2_16_1.F ccsdt_y_tr2_16_2.F ccsdt_y_tr2_16_3.F ccsdt_y_tr2_16_3_1.F OFFSET_ccsdt_y_tr2_16_3_1.F ccsdt_y_tr2_16_4.F ccsdt_y_tr2_16_4_1.F OFFSET_ccsdt_y_tr2_16_4_1.F ccsdt_y_tr2_16_5.F ccsdt_y_tr2_16_5_1.F OFFSET_ccsdt_y_tr2_16_5_1.F ccsdt_y_tr2_16_6.F ccsdt_y_tr2_16_6_1.F OFFSET_ccsdt_y_tr2_16_6_1.F ccsdt_y_tr2_17.F ccsdt_y_tr2_17_1.F OFFSET_ccsdt_y_tr2_17_1.F ccsdt_y_tr2_18.F ccsdt_y_tr2_18_1.F OFFSET_ccsdt_y_tr2_18_1.F ccsdt_y_tr2_19.F ccsdt_y_tr2_19_1.F OFFSET_ccsdt_y_tr2_19_1.F ccsdt_y_tr2_20.F ccsdt_y_tr2_20_1.F OFFSET_ccsdt_y_tr2_20_1.F ccsdt_y_tr2_20_2.F ccsdt_y_tr2_20_2_1.F OFFSET_ccsdt_y_tr2_20_2_1.F ccsdt_y_tr2_20_2_2.F ccsdt_y_tr2_20_3.F ccsdt_y_tr2_20_3_1.F OFFSET_ccsdt_y_tr2_20_3_1.F ccsdt_y_tr2_20_3_2.F ccsdt_y_tr2_20_4.F ccsdt_y_tr2_20_4_1.F OFFSET_ccsdt_y_tr2_20_4_1.F ccsdt_y_tr2_20_5.F ccsdt_y_tr2_20_5_1.F OFFSET_ccsdt_y_tr2_20_5_1.F ccsdt_y_tr2_21.F ccsdt_y_tr2_21_1.F OFFSET_ccsdt_y_tr2_21_1.F ccsdt_y_tr2_21_1_1.F OFFSET_ccsdt_y_tr2_21_1_1.F ccsdt_y_tr2_21_2.F ccsdt_y_tr2_21_2_1.F OFFSET_ccsdt_y_tr2_21_2_1.F ccsdt_y_tr2_22.F ccsdt_y_tr2_22_1.F OFFSET_ccsdt_y_tr2_22_1.F ccsdt_y_tr2_22_1_1.F OFFSET_ccsdt_y_tr2_22_1_1.F ccsdt_y_tr2_22_2.F ccsdt_y_tr2_22_2_1.F OFFSET_ccsdt_y_tr2_22_2_1.F ccsdt_y_tr2_23.F ccsdt_y_tr2_23_1.F OFFSET_ccsdt_y_tr2_23_1.F ccsdt_y_tr2_23_1_1.F OFFSET_ccsdt_y_tr2_23_1_1.F ccsdt_y_tr2_23_2.F ccsdt_y_tr2_23_2_1.F OFFSET_ccsdt_y_tr2_23_2_1.F ccsdt_y_tr2_23_3.F ccsdt_y_tr2_23_3_1.F OFFSET_ccsdt_y_tr2_23_3_1.F ccsdt_y_tr2_23_3_1_1.F OFFSET_ccsdt_y_tr2_23_3_1_1.F ccsdt_y_tr2_23_4.F ccsdt_y_tr2_23_4_1.F OFFSET_ccsdt_y_tr2_23_4_1.F ccsdt_y_tr2_23_4_1_1.F OFFSET_ccsdt_y_tr2_23_4_1_1.F ccsdt_y_tr2_23_4_2.F ccsdt_y_tr2_23_4_2_1.F OFFSET_ccsdt_y_tr2_23_4_2_1.F ccsdt_y_tr3.F ccsdt_y_tr3_1.F ccsdt_y_tr3_1_1.F OFFSET_ccsdt_y_tr3_1_1.F ccsdt_y_tr3_2.F ccsdt_y_tr3_2_1.F OFFSET_ccsdt_y_tr3_2_1.F ccsdt_y_tr3_2_2.F ccsdt_y_tr3_3.F ccsdt_y_tr3_3_1.F OFFSET_ccsdt_y_tr3_3_1.F ccsdt_y_tr3_4.F ccsdt_y_tr3_4_1.F OFFSET_ccsdt_y_tr3_4_1.F ccsdt_y_tr3_4_1_1.F OFFSET_ccsdt_y_tr3_4_1_1.F ccsdt_y_tr3_4_1_2.F ccsdt_y_tr3_4_2.F ccsdt_y_tr3_4_3.F ccsdt_y_tr3_4_4.F ccsdt_y_tr3_4_4_1.F OFFSET_ccsdt_y_tr3_4_4_1.F ccsdt_y_tr3_5.F ccsdt_y_tr3_5_1.F OFFSET_ccsdt_y_tr3_5_1.F ccsdt_y_tr3_6.F ccsdt_y_tr3_6_1.F OFFSET_ccsdt_y_tr3_6_1.F ccsdt_y_tr3_6_1_1.F OFFSET_ccsdt_y_tr3_6_1_1.F ccsdt_y_tr3_6_1_2.F ccsdt_y_tr3_6_2.F ccsdt_y_tr3_6_3.F ccsdt_y_tr3_6_3_1.F OFFSET_ccsdt_y_tr3_6_3_1.F ccsdt_y_tr3_7.F ccsdt_y_tr3_7_1.F OFFSET_ccsdt_y_tr3_7_1.F ccsdt_y_tr3_8.F ccsdt_y_tr3_8_1.F OFFSET_ccsdt_y_tr3_8_1.F ccsdt_y_tr3_8_2.F ccsdt_y_tr3_8_3.F ccsdt_y_tr3_8_3_1.F OFFSET_ccsdt_y_tr3_8_3_1.F ccsdt_y_tr3_8_4.F ccsdt_y_tr3_8_4_1.F OFFSET_ccsdt_y_tr3_8_4_1.F ccsdt_y_tr3_9.F ccsdt_y_tr3_9_1.F OFFSET_ccsdt_y_tr3_9_1.F ccsdt_y_tr3_10.F ccsdt_y_tr3_10_1.F OFFSET_ccsdt_y_tr3_10_1.F ccsdt_y_tr3_10_2.F ccsdt_y_tr3_10_3.F ccsdt_y_tr3_10_3_1.F OFFSET_ccsdt_y_tr3_10_3_1.F ccsdt_y_tr3_10_4.F ccsdt_y_tr3_10_4_1.F OFFSET_ccsdt_y_tr3_10_4_1.F ccsdt_y_tr3_11.F ccsdt_y_tr3_11_1.F OFFSET_ccsdt_y_tr3_11_1.F ccsdt_y_tr3_12.F ccsdt_y_tr3_12_1.F OFFSET_ccsdt_y_tr3_12_1.F ccsdt_y_tr3_12_2.F ccsdt_y_tr3_12_2_1.F OFFSET_ccsdt_y_tr3_12_2_1.F ccsdt_y_tr3_12_3.F ccsdt_y_tr3_12_3_1.F OFFSET_ccsdt_y_tr3_12_3_1.F converting ccsdt_lambda_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda_o3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lambda_o3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_5_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_6_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_6_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_9_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_9_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_14_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_14_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_10_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_10_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_11_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_11_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_11_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_12_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_12_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_14_11_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_14_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_2_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr1_17_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr1_17_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_11_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_11_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_14_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_16_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_16_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_16_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_19_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_20_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_20_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_20_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_20_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_21_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_21_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_21_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_22_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_22_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_22_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr2_23_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr2_23_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_8_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_8_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_8_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_y_tr3_12_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_y_tr3_12_3_1.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' Making 64_to_32 in ccsdt_beta make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_lr_beta_1.F ccsdt_lr_beta_1_1.F ccsdt_lr_beta_1_1_1.F OFFSET_ccsdt_lr_beta_1_1_1.F ccsdt_lr_beta_1_1_2.F ccsdt_lr_beta_1_1_3.F ccsdt_lr_beta_1_2.F ccsdt_lr_beta_1_2_1.F OFFSET_ccsdt_lr_beta_1_2_1.F ccsdt_lr_beta_1_3.F ccsdt_lr_beta_1_3_1.F OFFSET_ccsdt_lr_beta_1_3_1.F ccsdt_lr_beta_1_3_2.F ccsdt_lr_beta_1_3_3.F ccsdt_lr_beta_1_3_3_1.F OFFSET_ccsdt_lr_beta_1_3_3_1.F ccsdt_lr_beta_1_3_3_2.F ccsdt_lr_beta_1_3_3_3.F ccsdt_lr_beta_1_3_4.F ccsdt_lr_beta_1_3_4_1.F OFFSET_ccsdt_lr_beta_1_3_4_1.F ccsdt_lr_beta_1_3_4_2.F ccsdt_lr_beta_1_3_4_3.F ccsdt_lr_beta_1_3_5.F ccsdt_lr_beta_1_3_5_1.F OFFSET_ccsdt_lr_beta_1_3_5_1.F ccsdt_lr_beta_1_3_5_2.F ccsdt_lr_beta_1_3_6.F ccsdt_lr_beta_1_3_6_1.F OFFSET_ccsdt_lr_beta_1_3_6_1.F ccsdt_lr_beta_1_3_7.F ccsdt_lr_beta_1_3_7_1.F OFFSET_ccsdt_lr_beta_1_3_7_1.F ccsdt_lr_beta_1_3_7_2.F ccsdt_lr_beta_1_3_8.F ccsdt_lr_beta_1_3_8_1.F OFFSET_ccsdt_lr_beta_1_3_8_1.F ccsdt_lr_beta_1_4.F ccsdt_lr_beta_1_4_1.F OFFSET_ccsdt_lr_beta_1_4_1.F ccsdt_lr_beta_1_4_2.F ccsdt_lr_beta_2.F ccsdt_lr_beta_2_1.F ccsdt_lr_beta_2_1_1.F OFFSET_ccsdt_lr_beta_2_1_1.F ccsdt_lr_beta_2_1_1_1.F OFFSET_ccsdt_lr_beta_2_1_1_1.F ccsdt_lr_beta_2_1_1_2.F ccsdt_lr_beta_2_1_1_3.F ccsdt_lr_beta_2_1_2.F ccsdt_lr_beta_2_1_2_1.F OFFSET_ccsdt_lr_beta_2_1_2_1.F ccsdt_lr_beta_2_1_2_2.F ccsdt_lr_beta_2_1_2_3.F ccsdt_lr_beta_2_1_3.F ccsdt_lr_beta_2_1_3_1.F OFFSET_ccsdt_lr_beta_2_1_3_1.F ccsdt_lr_beta_2_1_3_2.F ccsdt_lr_beta_2_1_4.F ccsdt_lr_beta_2_1_4_1.F OFFSET_ccsdt_lr_beta_2_1_4_1.F ccsdt_lr_beta_2_1_5.F ccsdt_lr_beta_2_1_5_1.F OFFSET_ccsdt_lr_beta_2_1_5_1.F ccsdt_lr_beta_2_1_5_2.F ccsdt_lr_beta_2_1_6.F ccsdt_lr_beta_2_1_6_1.F OFFSET_ccsdt_lr_beta_2_1_6_1.F ccsdt_lr_beta_2_2.F ccsdt_lr_beta_2_2_1.F OFFSET_ccsdt_lr_beta_2_2_1.F ccsdt_lr_beta_2_2_1_1.F OFFSET_ccsdt_lr_beta_2_2_1_1.F ccsdt_lr_beta_2_2_1_2.F ccsdt_lr_beta_2_2_1_3.F ccsdt_lr_beta_2_2_1_3_1.F OFFSET_ccsdt_lr_beta_2_2_1_3_1.F ccsdt_lr_beta_2_2_1_4.F ccsdt_lr_beta_2_2_1_4_1.F OFFSET_ccsdt_lr_beta_2_2_1_4_1.F ccsdt_lr_beta_2_2_2.F ccsdt_lr_beta_2_2_2_1.F OFFSET_ccsdt_lr_beta_2_2_2_1.F ccsdt_lr_beta_2_2_3.F ccsdt_lr_beta_2_2_3_1.F OFFSET_ccsdt_lr_beta_2_2_3_1.F ccsdt_lr_beta_2_2_4.F ccsdt_lr_beta_2_2_4_1.F OFFSET_ccsdt_lr_beta_2_2_4_1.F ccsdt_lr_beta_2_2_4_2.F ccsdt_lr_beta_2_2_4_3.F ccsdt_lr_beta_2_2_4_3_1.F OFFSET_ccsdt_lr_beta_2_2_4_3_1.F ccsdt_lr_beta_2_2_4_4.F ccsdt_lr_beta_2_2_4_4_1.F OFFSET_ccsdt_lr_beta_2_2_4_4_1.F ccsdt_lr_beta_2_2_5.F ccsdt_lr_beta_2_2_5_1.F OFFSET_ccsdt_lr_beta_2_2_5_1.F ccsdt_lr_beta_2_2_6.F ccsdt_lr_beta_2_2_6_1.F OFFSET_ccsdt_lr_beta_2_2_6_1.F ccsdt_lr_beta_2_2_7.F ccsdt_lr_beta_2_2_7_1.F OFFSET_ccsdt_lr_beta_2_2_7_1.F ccsdt_lr_beta_2_2_8.F ccsdt_lr_beta_2_2_8_1.F OFFSET_ccsdt_lr_beta_2_2_8_1.F ccsdt_lr_beta_2_2_9.F ccsdt_lr_beta_2_2_9_1.F OFFSET_ccsdt_lr_beta_2_2_9_1.F ccsdt_lr_beta_2_2_9_1_1.F OFFSET_ccsdt_lr_beta_2_2_9_1_1.F ccsdt_lr_beta_2_2_9_2.F ccsdt_lr_beta_2_2_9_2_1.F OFFSET_ccsdt_lr_beta_2_2_9_2_1.F ccsdt_lr_beta_2_3.F ccsdt_lr_beta_2_3_1.F OFFSET_ccsdt_lr_beta_2_3_1.F ccsdt_lr_beta_2_3_1_1.F OFFSET_ccsdt_lr_beta_2_3_1_1.F ccsdt_lr_beta_2_3_2.F ccsdt_lr_beta_2_3_2_1.F OFFSET_ccsdt_lr_beta_2_3_2_1.F ccsdt_lr_beta_2_3_3.F ccsdt_lr_beta_2_3_3_1.F OFFSET_ccsdt_lr_beta_2_3_3_1.F ccsdt_lr_beta_2_3_4.F ccsdt_lr_beta_2_3_4_1.F OFFSET_ccsdt_lr_beta_2_3_4_1.F ccsdt_lr_beta_2_4.F ccsdt_lr_beta_2_4_1.F OFFSET_ccsdt_lr_beta_2_4_1.F ccsdt_lr_beta_2_4_1_1.F OFFSET_ccsdt_lr_beta_2_4_1_1.F ccsdt_lr_beta_2_4_1_2.F ccsdt_lr_beta_2_4_2.F ccsdt_lr_beta_2_4_2_1.F OFFSET_ccsdt_lr_beta_2_4_2_1.F ccsdt_lr_beta_2_4_2_2.F ccsdt_lr_beta_2_4_3.F ccsdt_lr_beta_2_4_3_1.F OFFSET_ccsdt_lr_beta_2_4_3_1.F ccsdt_lr_beta_2_4_4.F ccsdt_lr_beta_2_4_4_1.F OFFSET_ccsdt_lr_beta_2_4_4_1.F ccsdt_lr_beta_2_5.F ccsdt_lr_beta_2_5_1.F OFFSET_ccsdt_lr_beta_2_5_1.F ccsdt_lr_beta_2_5_1_1.F OFFSET_ccsdt_lr_beta_2_5_1_1.F ccsdt_lr_beta_2_5_2.F ccsdt_lr_beta_2_5_2_1.F OFFSET_ccsdt_lr_beta_2_5_2_1.F ccsdt_lr_beta_2_5_2_2.F ccsdt_lr_beta_2_5_3.F ccsdt_lr_beta_2_5_3_1.F OFFSET_ccsdt_lr_beta_2_5_3_1.F ccsdt_lr_beta_2_5_3_2.F ccsdt_lr_beta_2_5_3_2_1.F OFFSET_ccsdt_lr_beta_2_5_3_2_1.F ccsdt_lr_beta_2_5_3_3.F ccsdt_lr_beta_2_5_3_3_1.F OFFSET_ccsdt_lr_beta_2_5_3_3_1.F ccsdt_lr_beta_2_5_3_4.F ccsdt_lr_beta_2_5_3_4_1.F OFFSET_ccsdt_lr_beta_2_5_3_4_1.F ccsdt_lr_beta_2_5_3_5.F ccsdt_lr_beta_2_5_3_5_1.F OFFSET_ccsdt_lr_beta_2_5_3_5_1.F ccsdt_lr_beta_2_5_3_6.F ccsdt_lr_beta_2_5_3_6_1.F OFFSET_ccsdt_lr_beta_2_5_3_6_1.F ccsdt_lr_beta_2_5_3_7.F ccsdt_lr_beta_2_5_3_7_1.F OFFSET_ccsdt_lr_beta_2_5_3_7_1.F ccsdt_lr_beta_2_5_4.F ccsdt_lr_beta_2_5_4_1.F OFFSET_ccsdt_lr_beta_2_5_4_1.F ccsdt_lr_beta_2_5_4_2.F ccsdt_lr_beta_2_5_5.F ccsdt_lr_beta_2_5_5_1.F OFFSET_ccsdt_lr_beta_2_5_5_1.F ccsdt_lr_beta_2_5_6.F ccsdt_lr_beta_2_5_6_1.F OFFSET_ccsdt_lr_beta_2_5_6_1.F ccsdt_lr_beta_2_5_7.F ccsdt_lr_beta_2_5_7_1.F OFFSET_ccsdt_lr_beta_2_5_7_1.F ccsdt_lr_beta_2_5_8.F ccsdt_lr_beta_2_5_8_1.F OFFSET_ccsdt_lr_beta_2_5_8_1.F ccsdt_lr_beta_2_5_9.F ccsdt_lr_beta_2_5_9_1.F OFFSET_ccsdt_lr_beta_2_5_9_1.F ccsdt_lr_beta_2_5_9_2.F ccsdt_lr_beta_2_5_10.F ccsdt_lr_beta_2_5_10_1.F OFFSET_ccsdt_lr_beta_2_5_10_1.F ccsdt_lr_beta_2_5_10_2.F ccsdt_lr_beta_2_5_10_2_1.F OFFSET_ccsdt_lr_beta_2_5_10_2_1.F ccsdt_lr_beta_2_5_10_3.F ccsdt_lr_beta_2_5_10_3_1.F OFFSET_ccsdt_lr_beta_2_5_10_3_1.F ccsdt_lr_beta_2_5_10_4.F ccsdt_lr_beta_2_5_10_4_1.F OFFSET_ccsdt_lr_beta_2_5_10_4_1.F ccsdt_lr_beta_2_5_10_5.F ccsdt_lr_beta_2_5_10_5_1.F OFFSET_ccsdt_lr_beta_2_5_10_5_1.F ccsdt_lr_beta_2_5_10_6.F ccsdt_lr_beta_2_5_10_6_1.F OFFSET_ccsdt_lr_beta_2_5_10_6_1.F ccsdt_lr_beta_2_5_10_7.F ccsdt_lr_beta_2_5_10_7_1.F OFFSET_ccsdt_lr_beta_2_5_10_7_1.F ccsdt_lr_beta_2_5_11.F ccsdt_lr_beta_2_5_11_1.F OFFSET_ccsdt_lr_beta_2_5_11_1.F ccsdt_lr_beta_2_5_11_2.F ccsdt_lr_beta_2_5_12.F ccsdt_lr_beta_2_5_12_1.F OFFSET_ccsdt_lr_beta_2_5_12_1.F ccsdt_lr_beta_2_5_13.F ccsdt_lr_beta_2_5_13_1.F OFFSET_ccsdt_lr_beta_2_5_13_1.F ccsdt_lr_beta_2_5_14.F ccsdt_lr_beta_2_5_14_1.F OFFSET_ccsdt_lr_beta_2_5_14_1.F ccsdt_lr_beta_2_5_15.F ccsdt_lr_beta_2_5_15_1.F OFFSET_ccsdt_lr_beta_2_5_15_1.F ccsdt_lr_beta_2_5_15_1_1.F OFFSET_ccsdt_lr_beta_2_5_15_1_1.F ccsdt_lr_beta_2_5_15_2.F ccsdt_lr_beta_2_5_15_2_1.F OFFSET_ccsdt_lr_beta_2_5_15_2_1.F ccsdt_lr_beta_2_5_15_3.F ccsdt_lr_beta_2_5_15_3_1.F OFFSET_ccsdt_lr_beta_2_5_15_3_1.F ccsdt_lr_beta_2_5_15_4.F ccsdt_lr_beta_2_5_15_4_1.F OFFSET_ccsdt_lr_beta_2_5_15_4_1.F ccsdt_lr_beta_2_5_15_5.F ccsdt_lr_beta_2_5_15_5_1.F OFFSET_ccsdt_lr_beta_2_5_15_5_1.F ccsdt_lr_beta_2_5_15_6.F ccsdt_lr_beta_2_5_15_6_1.F OFFSET_ccsdt_lr_beta_2_5_15_6_1.F ccsdt_lr_beta_2_5_16.F ccsdt_lr_beta_2_5_16_1.F OFFSET_ccsdt_lr_beta_2_5_16_1.F ccsdt_lr_beta_2_5_16_1_1.F OFFSET_ccsdt_lr_beta_2_5_16_1_1.F ccsdt_lr_beta_2_5_16_2.F ccsdt_lr_beta_2_5_16_2_1.F OFFSET_ccsdt_lr_beta_2_5_16_2_1.F ccsdt_lr_beta_2_5_17.F ccsdt_lr_beta_2_5_17_1.F OFFSET_ccsdt_lr_beta_2_5_17_1.F ccsdt_lr_beta_2_5_17_1_1.F OFFSET_ccsdt_lr_beta_2_5_17_1_1.F ccsdt_lr_beta_2_5_17_2.F ccsdt_lr_beta_2_5_17_2_1.F OFFSET_ccsdt_lr_beta_2_5_17_2_1.F ccsdt_lr_beta_2_5_18.F ccsdt_lr_beta_2_5_18_1.F OFFSET_ccsdt_lr_beta_2_5_18_1.F ccsdt_lr_beta_2_5_18_1_1.F OFFSET_ccsdt_lr_beta_2_5_18_1_1.F ccsdt_lr_beta_2_5_18_2.F ccsdt_lr_beta_2_5_18_2_1.F OFFSET_ccsdt_lr_beta_2_5_18_2_1.F ccsdt_lr_beta_2_6.F ccsdt_lr_beta_2_6_1.F OFFSET_ccsdt_lr_beta_2_6_1.F ccsdt_lr_beta_2_6_1_1.F OFFSET_ccsdt_lr_beta_2_6_1_1.F ccsdt_lr_beta_2_6_1_2.F ccsdt_lr_beta_2_6_1_3.F ccsdt_lr_beta_2_6_1_3_1.F OFFSET_ccsdt_lr_beta_2_6_1_3_1.F ccsdt_lr_beta_2_6_1_3_2.F ccsdt_lr_beta_2_6_1_4.F ccsdt_lr_beta_2_6_1_4_1.F OFFSET_ccsdt_lr_beta_2_6_1_4_1.F ccsdt_lr_beta_2_6_1_4_2.F ccsdt_lr_beta_2_6_2.F ccsdt_lr_beta_2_6_2_1.F OFFSET_ccsdt_lr_beta_2_6_2_1.F ccsdt_lr_beta_2_6_3.F ccsdt_lr_beta_2_6_3_1.F OFFSET_ccsdt_lr_beta_2_6_3_1.F ccsdt_lr_beta_2_6_3_2.F ccsdt_lr_beta_2_6_4.F ccsdt_lr_beta_2_6_4_1.F OFFSET_ccsdt_lr_beta_2_6_4_1.F ccsdt_lr_beta_2_6_4_1_1.F OFFSET_ccsdt_lr_beta_2_6_4_1_1.F ccsdt_lr_beta_2_6_4_1_2.F ccsdt_lr_beta_2_6_5.F ccsdt_lr_beta_2_6_5_1.F OFFSET_ccsdt_lr_beta_2_6_5_1.F ccsdt_lr_beta_2_6_6.F ccsdt_lr_beta_2_6_6_1.F OFFSET_ccsdt_lr_beta_2_6_6_1.F ccsdt_lr_beta_2_6_7.F ccsdt_lr_beta_2_6_7_1.F OFFSET_ccsdt_lr_beta_2_6_7_1.F ccsdt_lr_beta_2_6_7_2.F ccsdt_lr_beta_2_6_7_3.F ccsdt_lr_beta_2_6_7_3_1.F OFFSET_ccsdt_lr_beta_2_6_7_3_1.F ccsdt_lr_beta_2_6_7_3_2.F ccsdt_lr_beta_2_6_7_4.F ccsdt_lr_beta_2_6_7_4_1.F OFFSET_ccsdt_lr_beta_2_6_7_4_1.F ccsdt_lr_beta_2_6_7_4_2.F ccsdt_lr_beta_2_6_8.F ccsdt_lr_beta_2_6_8_1.F OFFSET_ccsdt_lr_beta_2_6_8_1.F ccsdt_lr_beta_2_6_9.F ccsdt_lr_beta_2_6_9_1.F OFFSET_ccsdt_lr_beta_2_6_9_1.F ccsdt_lr_beta_2_6_9_2.F ccsdt_lr_beta_2_6_10.F ccsdt_lr_beta_2_6_10_1.F OFFSET_ccsdt_lr_beta_2_6_10_1.F ccsdt_lr_beta_2_6_11.F ccsdt_lr_beta_2_6_11_1.F OFFSET_ccsdt_lr_beta_2_6_11_1.F ccsdt_lr_beta_2_6_12.F ccsdt_lr_beta_2_6_12_1.F OFFSET_ccsdt_lr_beta_2_6_12_1.F ccsdt_lr_beta_2_6_12_1_1.F OFFSET_ccsdt_lr_beta_2_6_12_1_1.F ccsdt_lr_beta_2_6_12_2.F ccsdt_lr_beta_2_6_12_2_1.F OFFSET_ccsdt_lr_beta_2_6_12_2_1.F ccsdt_lr_beta_2_6_13.F ccsdt_lr_beta_2_6_13_1.F OFFSET_ccsdt_lr_beta_2_6_13_1.F ccsdt_lr_beta_2_6_13_1_1.F OFFSET_ccsdt_lr_beta_2_6_13_1_1.F ccsdt_lr_beta_2_6_13_1_2.F ccsdt_lr_beta_2_6_13_2.F ccsdt_lr_beta_2_6_13_2_1.F OFFSET_ccsdt_lr_beta_2_6_13_2_1.F ccsdt_lr_beta_2_6_13_2_2.F ccsdt_lr_beta_2_6_14.F ccsdt_lr_beta_2_6_14_1.F OFFSET_ccsdt_lr_beta_2_6_14_1.F ccsdt_lr_beta_2_6_14_1_1.F OFFSET_ccsdt_lr_beta_2_6_14_1_1.F ccsdt_lr_beta_2_6_14_2.F ccsdt_lr_beta_2_6_14_2_1.F OFFSET_ccsdt_lr_beta_2_6_14_2_1.F ccsdt_lr_beta_2_6_15.F ccsdt_lr_beta_2_6_15_1.F OFFSET_ccsdt_lr_beta_2_6_15_1.F ccsdt_lr_beta_2_6_15_1_1.F OFFSET_ccsdt_lr_beta_2_6_15_1_1.F ccsdt_lr_beta_2_6_15_2.F ccsdt_lr_beta_2_6_15_2_1.F OFFSET_ccsdt_lr_beta_2_6_15_2_1.F ccsdt_lr_beta_2_7.F ccsdt_lr_beta_2_7_1.F OFFSET_ccsdt_lr_beta_2_7_1.F ccsdt_lr_beta_2_7_1_1.F OFFSET_ccsdt_lr_beta_2_7_1_1.F ccsdt_lr_beta_2_7_2.F ccsdt_lr_beta_2_7_2_1.F OFFSET_ccsdt_lr_beta_2_7_2_1.F ccsdt_lr_beta_2_8.F ccsdt_lr_beta_2_8_1.F OFFSET_ccsdt_lr_beta_2_8_1.F ccsdt_lr_beta_2_8_1_1.F OFFSET_ccsdt_lr_beta_2_8_1_1.F ccsdt_lr_beta_2_8_1_2.F ccsdt_lr_beta_2_8_2.F ccsdt_lr_beta_2_8_2_1.F OFFSET_ccsdt_lr_beta_2_8_2_1.F ccsdt_lr_beta_2_8_2_2.F ccsdt_lr_beta_2_8_2_3.F ccsdt_lr_beta_2_8_2_3_1.F OFFSET_ccsdt_lr_beta_2_8_2_3_1.F ccsdt_lr_beta_2_8_2_4.F ccsdt_lr_beta_2_8_2_4_1.F OFFSET_ccsdt_lr_beta_2_8_2_4_1.F ccsdt_lr_beta_2_8_3.F ccsdt_lr_beta_2_8_3_1.F OFFSET_ccsdt_lr_beta_2_8_3_1.F ccsdt_lr_beta_2_8_4.F ccsdt_lr_beta_2_8_4_1.F OFFSET_ccsdt_lr_beta_2_8_4_1.F ccsdt_lr_beta_2_8_4_2.F ccsdt_lr_beta_2_8_4_3.F ccsdt_lr_beta_2_8_4_3_1.F OFFSET_ccsdt_lr_beta_2_8_4_3_1.F ccsdt_lr_beta_2_8_4_4.F ccsdt_lr_beta_2_8_4_4_1.F OFFSET_ccsdt_lr_beta_2_8_4_4_1.F ccsdt_lr_beta_2_8_5.F ccsdt_lr_beta_2_8_5_1.F OFFSET_ccsdt_lr_beta_2_8_5_1.F ccsdt_lr_beta_2_8_6.F ccsdt_lr_beta_2_8_6_1.F OFFSET_ccsdt_lr_beta_2_8_6_1.F ccsdt_lr_beta_2_8_7.F ccsdt_lr_beta_2_8_7_1.F OFFSET_ccsdt_lr_beta_2_8_7_1.F ccsdt_lr_beta_2_8_7_2.F ccsdt_lr_beta_2_8_7_2_1.F OFFSET_ccsdt_lr_beta_2_8_7_2_1.F ccsdt_lr_beta_2_8_7_3.F ccsdt_lr_beta_2_8_7_3_1.F OFFSET_ccsdt_lr_beta_2_8_7_3_1.F ccsdt_lr_beta_2_8_8.F ccsdt_lr_beta_2_8_8_1.F OFFSET_ccsdt_lr_beta_2_8_8_1.F ccsdt_lr_beta_2_8_9.F ccsdt_lr_beta_2_8_9_1.F OFFSET_ccsdt_lr_beta_2_8_9_1.F ccsdt_lr_beta_2_8_9_2.F ccsdt_lr_beta_2_8_10.F ccsdt_lr_beta_2_8_10_1.F OFFSET_ccsdt_lr_beta_2_8_10_1.F ccsdt_lr_beta_2_8_11.F ccsdt_lr_beta_2_8_11_1.F OFFSET_ccsdt_lr_beta_2_8_11_1.F ccsdt_lr_beta_2_8_12.F ccsdt_lr_beta_2_8_12_1.F OFFSET_ccsdt_lr_beta_2_8_12_1.F ccsdt_lr_beta_2_8_13.F ccsdt_lr_beta_2_8_13_1.F OFFSET_ccsdt_lr_beta_2_8_13_1.F ccsdt_lr_beta_2_8_13_2.F ccsdt_lr_beta_2_8_13_2_1.F OFFSET_ccsdt_lr_beta_2_8_13_2_1.F ccsdt_lr_beta_2_8_13_3.F ccsdt_lr_beta_2_8_13_3_1.F OFFSET_ccsdt_lr_beta_2_8_13_3_1.F ccsdt_lr_beta_2_8_14.F ccsdt_lr_beta_2_8_14_1.F OFFSET_ccsdt_lr_beta_2_8_14_1.F ccsdt_lr_beta_2_8_15.F ccsdt_lr_beta_2_8_15_1.F OFFSET_ccsdt_lr_beta_2_8_15_1.F ccsdt_lr_beta_2_8_15_1_1.F OFFSET_ccsdt_lr_beta_2_8_15_1_1.F ccsdt_lr_beta_2_8_15_1_2.F ccsdt_lr_beta_2_8_15_1_2_1.F OFFSET_ccsdt_lr_beta_2_8_15_1_2_1.F ccsdt_lr_beta_2_8_15_1_2_2.F ccsdt_lr_beta_2_8_15_1_3.F ccsdt_lr_beta_2_8_15_1_3_1.F OFFSET_ccsdt_lr_beta_2_8_15_1_3_1.F ccsdt_lr_beta_2_8_15_1_3_2.F ccsdt_lr_beta_2_8_15_2.F ccsdt_lr_beta_2_8_15_2_1.F OFFSET_ccsdt_lr_beta_2_8_15_2_1.F ccsdt_lr_beta_2_8_15_3.F ccsdt_lr_beta_2_8_15_3_1.F OFFSET_ccsdt_lr_beta_2_8_15_3_1.F ccsdt_lr_beta_2_8_15_4.F ccsdt_lr_beta_2_8_15_4_1.F OFFSET_ccsdt_lr_beta_2_8_15_4_1.F ccsdt_lr_beta_2_8_15_4_2.F ccsdt_lr_beta_2_8_15_4_2_1.F OFFSET_ccsdt_lr_beta_2_8_15_4_2_1.F ccsdt_lr_beta_2_8_15_4_2_2.F ccsdt_lr_beta_2_8_15_4_3.F ccsdt_lr_beta_2_8_15_4_3_1.F OFFSET_ccsdt_lr_beta_2_8_15_4_3_1.F ccsdt_lr_beta_2_8_15_4_3_2.F ccsdt_lr_beta_2_8_15_5.F ccsdt_lr_beta_2_8_15_5_1.F OFFSET_ccsdt_lr_beta_2_8_15_5_1.F ccsdt_lr_beta_2_8_15_6.F ccsdt_lr_beta_2_8_15_6_1.F OFFSET_ccsdt_lr_beta_2_8_15_6_1.F ccsdt_lr_beta_2_8_15_7.F ccsdt_lr_beta_2_8_15_7_1.F OFFSET_ccsdt_lr_beta_2_8_15_7_1.F ccsdt_lr_beta_2_8_15_7_1_1.F OFFSET_ccsdt_lr_beta_2_8_15_7_1_1.F ccsdt_lr_beta_2_8_15_8.F ccsdt_lr_beta_2_8_15_8_1.F OFFSET_ccsdt_lr_beta_2_8_15_8_1.F ccsdt_lr_beta_2_8_15_8_1_1.F OFFSET_ccsdt_lr_beta_2_8_15_8_1_1.F ccsdt_lr_beta_2_8_15_8_2.F ccsdt_lr_beta_2_8_15_8_2_1.F OFFSET_ccsdt_lr_beta_2_8_15_8_2_1.F ccsdt_lr_beta_2_8_16.F ccsdt_lr_beta_2_8_16_1.F OFFSET_ccsdt_lr_beta_2_8_16_1.F ccsdt_lr_beta_2_8_16_1_1.F OFFSET_ccsdt_lr_beta_2_8_16_1_1.F ccsdt_lr_beta_2_8_16_2.F ccsdt_lr_beta_2_8_16_2_1.F OFFSET_ccsdt_lr_beta_2_8_16_2_1.F ccsdt_lr_beta_2_8_17.F ccsdt_lr_beta_2_8_17_1.F OFFSET_ccsdt_lr_beta_2_8_17_1.F ccsdt_lr_beta_2_8_17_1_1.F OFFSET_ccsdt_lr_beta_2_8_17_1_1.F ccsdt_lr_beta_2_8_17_2.F ccsdt_lr_beta_2_8_17_2_1.F OFFSET_ccsdt_lr_beta_2_8_17_2_1.F ccsdt_lr_beta_2_8_18.F ccsdt_lr_beta_2_8_18_1.F OFFSET_ccsdt_lr_beta_2_8_18_1.F ccsdt_lr_beta_2_8_18_1_1.F OFFSET_ccsdt_lr_beta_2_8_18_1_1.F ccsdt_lr_beta_2_8_18_2.F ccsdt_lr_beta_2_8_18_2_1.F OFFSET_ccsdt_lr_beta_2_8_18_2_1.F ccsdt_lr_beta_2_8_19.F ccsdt_lr_beta_2_8_19_1.F OFFSET_ccsdt_lr_beta_2_8_19_1.F ccsdt_lr_beta_2_8_19_1_1.F OFFSET_ccsdt_lr_beta_2_8_19_1_1.F ccsdt_lr_beta_2_8_19_2.F ccsdt_lr_beta_2_8_19_2_1.F OFFSET_ccsdt_lr_beta_2_8_19_2_1.F ccsdt_lr_beta_2_8_19_3.F ccsdt_lr_beta_2_8_19_3_1.F OFFSET_ccsdt_lr_beta_2_8_19_3_1.F ccsdt_lr_beta_2_8_19_4.F ccsdt_lr_beta_2_8_19_4_1.F OFFSET_ccsdt_lr_beta_2_8_19_4_1.F ccsdt_lr_beta_2_8_20.F ccsdt_lr_beta_2_8_20_1.F OFFSET_ccsdt_lr_beta_2_8_20_1.F ccsdt_lr_beta_2_8_20_1_1.F OFFSET_ccsdt_lr_beta_2_8_20_1_1.F ccsdt_lr_beta_2_8_20_2.F ccsdt_lr_beta_2_8_20_2_1.F OFFSET_ccsdt_lr_beta_2_8_20_2_1.F ccsdt_lr_beta_2_8_21.F ccsdt_lr_beta_2_8_21_1.F OFFSET_ccsdt_lr_beta_2_8_21_1.F ccsdt_lr_beta_2_8_21_1_1.F OFFSET_ccsdt_lr_beta_2_8_21_1_1.F ccsdt_lr_beta_2_8_21_2.F ccsdt_lr_beta_2_8_21_2_1.F OFFSET_ccsdt_lr_beta_2_8_21_2_1.F ccsdt_lr_beta_2_8_22.F ccsdt_lr_beta_2_8_22_1.F OFFSET_ccsdt_lr_beta_2_8_22_1.F ccsdt_lr_beta_2_8_22_1_1.F OFFSET_ccsdt_lr_beta_2_8_22_1_1.F ccsdt_lr_beta_2_8_22_1_2.F ccsdt_lr_beta_2_8_22_1_3.F ccsdt_lr_beta_2_8_22_1_3_1.F OFFSET_ccsdt_lr_beta_2_8_22_1_3_1.F ccsdt_lr_beta_2_8_22_1_3_2.F ccsdt_lr_beta_2_8_22_1_4.F ccsdt_lr_beta_2_8_22_1_4_1.F OFFSET_ccsdt_lr_beta_2_8_22_1_4_1.F ccsdt_lr_beta_2_8_22_1_4_2.F ccsdt_lr_beta_2_8_22_2.F ccsdt_lr_beta_2_8_22_2_1.F OFFSET_ccsdt_lr_beta_2_8_22_2_1.F ccsdt_lr_beta_2_8_22_3.F ccsdt_lr_beta_2_8_22_3_1.F OFFSET_ccsdt_lr_beta_2_8_22_3_1.F ccsdt_lr_beta_2_8_22_4.F ccsdt_lr_beta_2_8_22_4_1.F OFFSET_ccsdt_lr_beta_2_8_22_4_1.F ccsdt_lr_beta_2_8_22_4_2.F ccsdt_lr_beta_2_8_22_4_3.F ccsdt_lr_beta_2_8_22_4_3_1.F OFFSET_ccsdt_lr_beta_2_8_22_4_3_1.F ccsdt_lr_beta_2_8_22_4_3_2.F ccsdt_lr_beta_2_8_22_4_4.F ccsdt_lr_beta_2_8_22_4_4_1.F OFFSET_ccsdt_lr_beta_2_8_22_4_4_1.F ccsdt_lr_beta_2_8_22_4_4_2.F ccsdt_lr_beta_2_8_22_5.F ccsdt_lr_beta_2_8_22_5_1.F OFFSET_ccsdt_lr_beta_2_8_22_5_1.F ccsdt_lr_beta_2_8_22_6.F ccsdt_lr_beta_2_8_22_6_1.F OFFSET_ccsdt_lr_beta_2_8_22_6_1.F ccsdt_lr_beta_2_8_22_7.F ccsdt_lr_beta_2_8_22_7_1.F OFFSET_ccsdt_lr_beta_2_8_22_7_1.F ccsdt_lr_beta_2_8_22_7_1_1.F OFFSET_ccsdt_lr_beta_2_8_22_7_1_1.F ccsdt_lr_beta_2_8_22_7_2.F ccsdt_lr_beta_2_8_22_7_2_1.F OFFSET_ccsdt_lr_beta_2_8_22_7_2_1.F ccsdt_lr_beta_2_8_22_8.F ccsdt_lr_beta_2_8_22_8_1.F OFFSET_ccsdt_lr_beta_2_8_22_8_1.F ccsdt_lr_beta_2_8_22_8_1_1.F OFFSET_ccsdt_lr_beta_2_8_22_8_1_1.F ccsdt_lr_beta_2_8_22_8_1_2.F ccsdt_lr_beta_2_8_22_8_2.F ccsdt_lr_beta_2_8_22_8_2_1.F OFFSET_ccsdt_lr_beta_2_8_22_8_2_1.F ccsdt_lr_beta_2_8_22_8_2_2.F ccsdt_lr_beta_2_8_22_9.F ccsdt_lr_beta_2_8_22_9_1.F OFFSET_ccsdt_lr_beta_2_8_22_9_1.F ccsdt_lr_beta_2_8_22_9_1_1.F OFFSET_ccsdt_lr_beta_2_8_22_9_1_1.F ccsdt_lr_beta_2_8_22_9_2.F ccsdt_lr_beta_2_8_22_9_2_1.F OFFSET_ccsdt_lr_beta_2_8_22_9_2_1.F ccsdt_lr_beta_2_8_22_10.F ccsdt_lr_beta_2_8_22_10_1.F OFFSET_ccsdt_lr_beta_2_8_22_10_1.F ccsdt_lr_beta_2_8_22_10_1_1.F OFFSET_ccsdt_lr_beta_2_8_22_10_1_1.F ccsdt_lr_beta_2_8_22_10_2.F ccsdt_lr_beta_2_8_22_10_2_1.F OFFSET_ccsdt_lr_beta_2_8_22_10_2_1.F ccsdt_lr_beta_2_8_23.F ccsdt_lr_beta_2_8_23_1.F OFFSET_ccsdt_lr_beta_2_8_23_1.F ccsdt_lr_beta_2_8_23_1_1.F OFFSET_ccsdt_lr_beta_2_8_23_1_1.F ccsdt_lr_beta_2_8_23_2.F ccsdt_lr_beta_2_8_23_2_1.F OFFSET_ccsdt_lr_beta_2_8_23_2_1.F ccsdt_lr_beta_2_8_24.F ccsdt_lr_beta_2_8_24_1.F OFFSET_ccsdt_lr_beta_2_8_24_1.F ccsdt_lr_beta_2_8_24_1_1.F OFFSET_ccsdt_lr_beta_2_8_24_1_1.F ccsdt_lr_beta_2_8_24_2.F ccsdt_lr_beta_2_8_24_2_1.F OFFSET_ccsdt_lr_beta_2_8_24_2_1.F ccsdt_lr_beta_2_8_25.F ccsdt_lr_beta_2_8_25_1.F OFFSET_ccsdt_lr_beta_2_8_25_1.F ccsdt_lr_beta_2_8_25_1_1.F OFFSET_ccsdt_lr_beta_2_8_25_1_1.F ccsdt_lr_beta_2_8_25_2.F ccsdt_lr_beta_2_8_25_2_1.F OFFSET_ccsdt_lr_beta_2_8_25_2_1.F ccsdt_lr_beta_2_8_25_3.F ccsdt_lr_beta_2_8_25_3_1.F OFFSET_ccsdt_lr_beta_2_8_25_3_1.F ccsdt_lr_beta_2_8_25_4.F ccsdt_lr_beta_2_8_25_4_1.F OFFSET_ccsdt_lr_beta_2_8_25_4_1.F ccsdt_lr_beta_2_8_26.F ccsdt_lr_beta_2_8_26_1.F OFFSET_ccsdt_lr_beta_2_8_26_1.F ccsdt_lr_beta_2_8_26_1_1.F OFFSET_ccsdt_lr_beta_2_8_26_1_1.F ccsdt_lr_beta_2_8_26_2.F ccsdt_lr_beta_2_8_26_2_1.F OFFSET_ccsdt_lr_beta_2_8_26_2_1.F ccsdt_lr_beta_2_8_27.F ccsdt_lr_beta_2_8_27_1.F OFFSET_ccsdt_lr_beta_2_8_27_1.F ccsdt_lr_beta_2_8_27_1_1.F OFFSET_ccsdt_lr_beta_2_8_27_1_1.F ccsdt_lr_beta_2_8_27_2.F ccsdt_lr_beta_2_8_27_2_1.F OFFSET_ccsdt_lr_beta_2_8_27_2_1.F ccsdt_lr_beta_2_8_28.F ccsdt_lr_beta_2_8_28_1.F OFFSET_ccsdt_lr_beta_2_8_28_1.F ccsdt_lr_beta_2_8_28_1_1.F OFFSET_ccsdt_lr_beta_2_8_28_1_1.F ccsdt_lr_beta_2_8_28_1_2.F ccsdt_lr_beta_2_8_28_1_3.F ccsdt_lr_beta_2_8_28_1_3_1.F OFFSET_ccsdt_lr_beta_2_8_28_1_3_1.F ccsdt_lr_beta_2_8_28_1_3_2.F ccsdt_lr_beta_2_8_28_1_4.F ccsdt_lr_beta_2_8_28_1_4_1.F OFFSET_ccsdt_lr_beta_2_8_28_1_4_1.F ccsdt_lr_beta_2_8_28_1_4_2.F ccsdt_lr_beta_2_8_28_2.F ccsdt_lr_beta_2_8_28_2_1.F OFFSET_ccsdt_lr_beta_2_8_28_2_1.F ccsdt_lr_beta_2_8_28_3.F ccsdt_lr_beta_2_8_28_3_1.F OFFSET_ccsdt_lr_beta_2_8_28_3_1.F ccsdt_lr_beta_2_8_28_4.F ccsdt_lr_beta_2_8_28_4_1.F OFFSET_ccsdt_lr_beta_2_8_28_4_1.F ccsdt_lr_beta_2_8_28_4_2.F ccsdt_lr_beta_2_8_28_4_3.F ccsdt_lr_beta_2_8_28_4_3_1.F OFFSET_ccsdt_lr_beta_2_8_28_4_3_1.F ccsdt_lr_beta_2_8_28_4_3_2.F ccsdt_lr_beta_2_8_28_5.F ccsdt_lr_beta_2_8_28_5_1.F OFFSET_ccsdt_lr_beta_2_8_28_5_1.F ccsdt_lr_beta_2_8_28_6.F ccsdt_lr_beta_2_8_28_6_1.F OFFSET_ccsdt_lr_beta_2_8_28_6_1.F ccsdt_lr_beta_2_8_28_7.F ccsdt_lr_beta_2_8_28_7_1.F OFFSET_ccsdt_lr_beta_2_8_28_7_1.F ccsdt_lr_beta_2_8_28_7_1_1.F OFFSET_ccsdt_lr_beta_2_8_28_7_1_1.F ccsdt_lr_beta_2_8_28_7_2.F ccsdt_lr_beta_2_8_28_7_2_1.F OFFSET_ccsdt_lr_beta_2_8_28_7_2_1.F ccsdt_lr_beta_2_8_28_8.F ccsdt_lr_beta_2_8_28_8_1.F OFFSET_ccsdt_lr_beta_2_8_28_8_1.F ccsdt_lr_beta_2_8_28_8_1_1.F OFFSET_ccsdt_lr_beta_2_8_28_8_1_1.F ccsdt_lr_beta_2_8_29.F ccsdt_lr_beta_2_8_29_1.F OFFSET_ccsdt_lr_beta_2_8_29_1.F ccsdt_lr_beta_2_8_29_1_1.F OFFSET_ccsdt_lr_beta_2_8_29_1_1.F ccsdt_lr_beta_2_8_29_2.F ccsdt_lr_beta_2_8_29_2_1.F OFFSET_ccsdt_lr_beta_2_8_29_2_1.F ccsdt_lr_beta_2_8_30.F ccsdt_lr_beta_2_8_30_1.F OFFSET_ccsdt_lr_beta_2_8_30_1.F ccsdt_lr_beta_2_8_30_1_1.F OFFSET_ccsdt_lr_beta_2_8_30_1_1.F ccsdt_lr_beta_2_8_30_2.F ccsdt_lr_beta_2_8_30_2_1.F OFFSET_ccsdt_lr_beta_2_8_30_2_1.F ccsdt_lr_beta_2_8_31.F ccsdt_lr_beta_2_8_31_1.F OFFSET_ccsdt_lr_beta_2_8_31_1.F ccsdt_lr_beta_2_8_31_1_1.F OFFSET_ccsdt_lr_beta_2_8_31_1_1.F ccsdt_lr_beta_2_8_31_2.F ccsdt_lr_beta_2_8_31_2_1.F OFFSET_ccsdt_lr_beta_2_8_31_2_1.F ccsdt_lr_beta_2_8_31_3.F ccsdt_lr_beta_2_8_31_3_1.F OFFSET_ccsdt_lr_beta_2_8_31_3_1.F ccsdt_lr_beta_2_8_31_4.F ccsdt_lr_beta_2_8_31_4_1.F OFFSET_ccsdt_lr_beta_2_8_31_4_1.F ccsdt_lr_beta_2_8_32.F ccsdt_lr_beta_2_8_32_1.F OFFSET_ccsdt_lr_beta_2_8_32_1.F ccsdt_lr_beta_2_8_32_1_1.F OFFSET_ccsdt_lr_beta_2_8_32_1_1.F ccsdt_lr_beta_2_8_32_2.F ccsdt_lr_beta_2_8_32_2_1.F OFFSET_ccsdt_lr_beta_2_8_32_2_1.F ccsdt_lr_beta_2_8_33.F ccsdt_lr_beta_2_8_33_1.F OFFSET_ccsdt_lr_beta_2_8_33_1.F ccsdt_lr_beta_2_8_33_1_1.F OFFSET_ccsdt_lr_beta_2_8_33_1_1.F ccsdt_lr_beta_2_8_33_2.F ccsdt_lr_beta_2_8_33_2_1.F OFFSET_ccsdt_lr_beta_2_8_33_2_1.F ccsdt_lr_beta_2_8_34.F ccsdt_lr_beta_2_8_34_1.F OFFSET_ccsdt_lr_beta_2_8_34_1.F ccsdt_lr_beta_2_8_34_1_1.F OFFSET_ccsdt_lr_beta_2_8_34_1_1.F ccsdt_lr_beta_2_8_34_2.F ccsdt_lr_beta_2_8_34_2_1.F OFFSET_ccsdt_lr_beta_2_8_34_2_1.F ccsdt_lr_beta_2_9.F ccsdt_lr_beta_2_9_1.F OFFSET_ccsdt_lr_beta_2_9_1.F ccsdt_lr_beta_2_9_1_1.F OFFSET_ccsdt_lr_beta_2_9_1_1.F ccsdt_lr_beta_2_9_2.F ccsdt_lr_beta_2_9_2_1.F OFFSET_ccsdt_lr_beta_2_9_2_1.F ccsdt_lr_beta_2_9_3.F ccsdt_lr_beta_2_9_3_1.F OFFSET_ccsdt_lr_beta_2_9_3_1.F ccsdt_lr_beta_2_9_4.F ccsdt_lr_beta_2_9_4_1.F OFFSET_ccsdt_lr_beta_2_9_4_1.F ccsdt_lr_beta_2_9_5.F ccsdt_lr_beta_2_9_5_1.F OFFSET_ccsdt_lr_beta_2_9_5_1.F ccsdt_lr_beta_2_9_6.F ccsdt_lr_beta_2_9_6_1.F OFFSET_ccsdt_lr_beta_2_9_6_1.F ccsdt_lr_beta_2_9_7.F ccsdt_lr_beta_2_9_7_1.F OFFSET_ccsdt_lr_beta_2_9_7_1.F ccsdt_lr_beta_2_9_8.F ccsdt_lr_beta_2_9_8_1.F OFFSET_ccsdt_lr_beta_2_9_8_1.F ccsdt_lr_beta_2_9_9.F ccsdt_lr_beta_2_9_9_1.F OFFSET_ccsdt_lr_beta_2_9_9_1.F ccsdt_lr_beta_2_9_10.F ccsdt_lr_beta_2_9_10_1.F OFFSET_ccsdt_lr_beta_2_9_10_1.F ccsdt_lr_beta_2_9_11.F ccsdt_lr_beta_2_9_11_1.F OFFSET_ccsdt_lr_beta_2_9_11_1.F ccsdt_lr_beta_2_9_11_1_1.F OFFSET_ccsdt_lr_beta_2_9_11_1_1.F ccsdt_lr_beta_2_9_11_2.F ccsdt_lr_beta_2_9_11_2_1.F OFFSET_ccsdt_lr_beta_2_9_11_2_1.F ccsdt_lr_beta_2_9_11_3.F ccsdt_lr_beta_2_9_11_3_1.F OFFSET_ccsdt_lr_beta_2_9_11_3_1.F ccsdt_lr_beta_2_9_11_4.F ccsdt_lr_beta_2_9_11_4_1.F OFFSET_ccsdt_lr_beta_2_9_11_4_1.F ccsdt_lr_beta_2_9_12.F ccsdt_lr_beta_2_9_12_1.F OFFSET_ccsdt_lr_beta_2_9_12_1.F ccsdt_lr_beta_2_9_12_1_1.F OFFSET_ccsdt_lr_beta_2_9_12_1_1.F ccsdt_lr_beta_2_9_12_2.F ccsdt_lr_beta_2_9_12_2_1.F OFFSET_ccsdt_lr_beta_2_9_12_2_1.F ccsdt_lr_beta_2_9_12_3.F ccsdt_lr_beta_2_9_12_3_1.F OFFSET_ccsdt_lr_beta_2_9_12_3_1.F ccsdt_lr_beta_2_9_12_4.F ccsdt_lr_beta_2_9_12_4_1.F OFFSET_ccsdt_lr_beta_2_9_12_4_1.F ccsdt_lr_beta_2_9_13.F ccsdt_lr_beta_2_9_13_1.F OFFSET_ccsdt_lr_beta_2_9_13_1.F ccsdt_lr_beta_2_9_13_1_1.F OFFSET_ccsdt_lr_beta_2_9_13_1_1.F ccsdt_lr_beta_2_9_13_2.F ccsdt_lr_beta_2_9_13_2_1.F OFFSET_ccsdt_lr_beta_2_9_13_2_1.F ccsdt_lr_beta_2_9_13_3.F ccsdt_lr_beta_2_9_13_3_1.F OFFSET_ccsdt_lr_beta_2_9_13_3_1.F ccsdt_lr_beta_2_9_13_4.F ccsdt_lr_beta_2_9_13_4_1.F OFFSET_ccsdt_lr_beta_2_9_13_4_1.F ccsdt_lr_beta_3.F ccsdt_lr_beta_3_1.F ccsdt_lr_beta_3_1_1.F OFFSET_ccsdt_lr_beta_3_1_1.F ccsdt_lr_beta_3_1_1_1.F OFFSET_ccsdt_lr_beta_3_1_1_1.F ccsdt_lr_beta_3_1_1_2.F ccsdt_lr_beta_3_1_1_3.F ccsdt_lr_beta_3_1_2.F ccsdt_lr_beta_3_1_2_1.F OFFSET_ccsdt_lr_beta_3_1_2_1.F ccsdt_lr_beta_3_1_2_2.F ccsdt_lr_beta_3_1_2_3.F ccsdt_lr_beta_3_1_3.F ccsdt_lr_beta_3_1_3_1.F OFFSET_ccsdt_lr_beta_3_1_3_1.F ccsdt_lr_beta_3_1_3_2.F ccsdt_lr_beta_3_1_4.F ccsdt_lr_beta_3_1_4_1.F OFFSET_ccsdt_lr_beta_3_1_4_1.F ccsdt_lr_beta_3_1_5.F ccsdt_lr_beta_3_1_5_1.F OFFSET_ccsdt_lr_beta_3_1_5_1.F ccsdt_lr_beta_3_1_5_2.F ccsdt_lr_beta_3_1_6.F ccsdt_lr_beta_3_1_6_1.F OFFSET_ccsdt_lr_beta_3_1_6_1.F ccsdt_lr_beta_4.F ccsdt_lr_beta_4_1.F ccsdt_lr_beta_4_1_1.F OFFSET_ccsdt_lr_beta_4_1_1.F ccsdt_lr_beta_4_1_1_1.F OFFSET_ccsdt_lr_beta_4_1_1_1.F ccsdt_lr_beta_4_1_1_1_1.F OFFSET_ccsdt_lr_beta_4_1_1_1_1.F ccsdt_lr_beta_4_1_1_2.F ccsdt_lr_beta_4_1_1_2_1.F OFFSET_ccsdt_lr_beta_4_1_1_2_1.F ccsdt_lr_beta_4_1_2.F ccsdt_lr_beta_4_1_2_1.F OFFSET_ccsdt_lr_beta_4_1_2_1.F ccsdt_lr_beta_4_1_2_1_1.F OFFSET_ccsdt_lr_beta_4_1_2_1_1.F ccsdt_lr_beta_4_1_2_2.F ccsdt_lr_beta_4_1_2_2_1.F OFFSET_ccsdt_lr_beta_4_1_2_2_1.F ccsdt_lr_beta_4_1_3.F ccsdt_lr_beta_4_1_3_1.F OFFSET_ccsdt_lr_beta_4_1_3_1.F ccsdt_lr_beta_4_1_3_1_1.F OFFSET_ccsdt_lr_beta_4_1_3_1_1.F ccsdt_lr_beta_4_1_3_2.F ccsdt_lr_beta_4_1_3_2_1.F OFFSET_ccsdt_lr_beta_4_1_3_2_1.F ccsdt_lr_beta_4_2.F ccsdt_lr_beta_4_2_1.F OFFSET_ccsdt_lr_beta_4_2_1.F ccsdt_lr_beta_4_2_1_1.F OFFSET_ccsdt_lr_beta_4_2_1_1.F ccsdt_lr_beta_4_2_1_1_1.F OFFSET_ccsdt_lr_beta_4_2_1_1_1.F ccsdt_lr_beta_4_2_1_1_2.F ccsdt_lr_beta_4_2_1_2.F ccsdt_lr_beta_4_2_1_2_1.F OFFSET_ccsdt_lr_beta_4_2_1_2_1.F ccsdt_lr_beta_4_2_1_2_2.F ccsdt_lr_beta_4_2_2.F ccsdt_lr_beta_4_2_2_1.F OFFSET_ccsdt_lr_beta_4_2_2_1.F ccsdt_lr_beta_4_2_2_1_1.F OFFSET_ccsdt_lr_beta_4_2_2_1_1.F ccsdt_lr_beta_4_2_2_2.F ccsdt_lr_beta_4_2_2_2_1.F OFFSET_ccsdt_lr_beta_4_2_2_2_1.F ccsdt_lr_beta_4_2_3.F ccsdt_lr_beta_4_2_3_1.F OFFSET_ccsdt_lr_beta_4_2_3_1.F ccsdt_lr_beta_4_2_3_1_1.F OFFSET_ccsdt_lr_beta_4_2_3_1_1.F ccsdt_lr_beta_4_2_3_1_2.F ccsdt_lr_beta_4_2_3_2.F ccsdt_lr_beta_4_2_3_2_1.F OFFSET_ccsdt_lr_beta_4_2_3_2_1.F ccsdt_lr_beta_4_2_3_2_2.F ccsdt_lr_beta_4_2_4.F ccsdt_lr_beta_4_2_4_1.F OFFSET_ccsdt_lr_beta_4_2_4_1.F ccsdt_lr_beta_4_2_4_1_1.F OFFSET_ccsdt_lr_beta_4_2_4_1_1.F ccsdt_lr_beta_4_2_4_2.F ccsdt_lr_beta_4_2_4_2_1.F OFFSET_ccsdt_lr_beta_4_2_4_2_1.F ccsdt_lr_beta_4_2_5.F ccsdt_lr_beta_4_2_5_1.F OFFSET_ccsdt_lr_beta_4_2_5_1.F ccsdt_lr_beta_4_2_5_1_1.F OFFSET_ccsdt_lr_beta_4_2_5_1_1.F ccsdt_lr_beta_4_2_5_1_2.F ccsdt_lr_beta_4_2_5_2.F ccsdt_lr_beta_4_2_5_2_1.F OFFSET_ccsdt_lr_beta_4_2_5_2_1.F ccsdt_lr_beta_4_2_5_2_2.F ccsdt_lr_beta_4_2_6.F ccsdt_lr_beta_4_2_6_1.F OFFSET_ccsdt_lr_beta_4_2_6_1.F ccsdt_lr_beta_4_2_6_1_1.F OFFSET_ccsdt_lr_beta_4_2_6_1_1.F ccsdt_lr_beta_4_2_6_2.F ccsdt_lr_beta_4_2_6_2_1.F OFFSET_ccsdt_lr_beta_4_2_6_2_1.F ccsdt_lr_beta_4_3.F ccsdt_lr_beta_4_3_1.F OFFSET_ccsdt_lr_beta_4_3_1.F ccsdt_lr_beta_4_3_1_1.F OFFSET_ccsdt_lr_beta_4_3_1_1.F ccsdt_lr_beta_4_3_1_1_1.F OFFSET_ccsdt_lr_beta_4_3_1_1_1.F ccsdt_lr_beta_4_3_1_2.F ccsdt_lr_beta_4_3_1_2_1.F OFFSET_ccsdt_lr_beta_4_3_1_2_1.F ccsdt_lr_beta_4_3_1_3.F ccsdt_lr_beta_4_3_1_3_1.F OFFSET_ccsdt_lr_beta_4_3_1_3_1.F ccsdt_lr_beta_4_3_1_4.F ccsdt_lr_beta_4_3_1_4_1.F OFFSET_ccsdt_lr_beta_4_3_1_4_1.F ccsdt_lr_beta_4_3_1_5.F ccsdt_lr_beta_4_3_1_5_1.F OFFSET_ccsdt_lr_beta_4_3_1_5_1.F ccsdt_lr_beta_4_3_1_6.F ccsdt_lr_beta_4_3_1_6_1.F OFFSET_ccsdt_lr_beta_4_3_1_6_1.F ccsdt_lr_beta_4_3_2.F ccsdt_lr_beta_4_3_2_1.F OFFSET_ccsdt_lr_beta_4_3_2_1.F ccsdt_lr_beta_4_3_2_1_1.F OFFSET_ccsdt_lr_beta_4_3_2_1_1.F ccsdt_lr_beta_4_3_2_2.F ccsdt_lr_beta_4_3_2_2_1.F OFFSET_ccsdt_lr_beta_4_3_2_2_1.F ccsdt_lr_beta_4_3_3.F ccsdt_lr_beta_4_3_3_1.F OFFSET_ccsdt_lr_beta_4_3_3_1.F ccsdt_lr_beta_4_3_3_1_1.F OFFSET_ccsdt_lr_beta_4_3_3_1_1.F ccsdt_lr_beta_4_3_3_2.F ccsdt_lr_beta_4_3_3_2_1.F OFFSET_ccsdt_lr_beta_4_3_3_2_1.F ccsdt_lr_beta_4_3_3_3.F ccsdt_lr_beta_4_3_3_3_1.F OFFSET_ccsdt_lr_beta_4_3_3_3_1.F ccsdt_lr_beta_4_3_3_4.F ccsdt_lr_beta_4_3_3_4_1.F OFFSET_ccsdt_lr_beta_4_3_3_4_1.F ccsdt_lr_beta_4_3_3_5.F ccsdt_lr_beta_4_3_3_5_1.F OFFSET_ccsdt_lr_beta_4_3_3_5_1.F ccsdt_lr_beta_4_3_3_6.F ccsdt_lr_beta_4_3_3_6_1.F OFFSET_ccsdt_lr_beta_4_3_3_6_1.F ccsdt_lr_beta_4_3_4.F ccsdt_lr_beta_4_3_4_1.F OFFSET_ccsdt_lr_beta_4_3_4_1.F ccsdt_lr_beta_4_3_4_1_1.F OFFSET_ccsdt_lr_beta_4_3_4_1_1.F ccsdt_lr_beta_4_3_4_2.F ccsdt_lr_beta_4_3_4_2_1.F OFFSET_ccsdt_lr_beta_4_3_4_2_1.F ccsdt_lr_beta_4_3_4_3.F ccsdt_lr_beta_4_3_4_3_1.F OFFSET_ccsdt_lr_beta_4_3_4_3_1.F ccsdt_lr_beta_4_3_4_4.F ccsdt_lr_beta_4_3_4_4_1.F OFFSET_ccsdt_lr_beta_4_3_4_4_1.F ccsdt_lr_beta_4_3_4_5.F ccsdt_lr_beta_4_3_4_5_1.F OFFSET_ccsdt_lr_beta_4_3_4_5_1.F ccsdt_lr_beta_4_3_4_6.F ccsdt_lr_beta_4_3_4_6_1.F OFFSET_ccsdt_lr_beta_4_3_4_6_1.F ccsdt_lr_beta_4_3_5.F ccsdt_lr_beta_4_3_5_1.F OFFSET_ccsdt_lr_beta_4_3_5_1.F ccsdt_lr_beta_4_3_5_1_1.F OFFSET_ccsdt_lr_beta_4_3_5_1_1.F ccsdt_lr_beta_4_3_5_2.F ccsdt_lr_beta_4_3_5_2_1.F OFFSET_ccsdt_lr_beta_4_3_5_2_1.F ccsdt_lr_beta_4_3_6.F ccsdt_lr_beta_4_3_6_1.F OFFSET_ccsdt_lr_beta_4_3_6_1.F ccsdt_lr_beta_4_3_6_1_1.F OFFSET_ccsdt_lr_beta_4_3_6_1_1.F ccsdt_lr_beta_4_3_6_2.F ccsdt_lr_beta_4_3_6_2_1.F OFFSET_ccsdt_lr_beta_4_3_6_2_1.F ccsdt_lr_beta_4_4.F ccsdt_lr_beta_4_4_1.F OFFSET_ccsdt_lr_beta_4_4_1.F ccsdt_lr_beta_4_4_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_1.F ccsdt_lr_beta_4_4_1_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_1_1.F ccsdt_lr_beta_4_4_1_1_2.F ccsdt_lr_beta_4_4_1_1_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_1_2_1.F ccsdt_lr_beta_4_4_1_1_2_2.F ccsdt_lr_beta_4_4_1_1_3.F ccsdt_lr_beta_4_4_1_1_3_1.F OFFSET_ccsdt_lr_beta_4_4_1_1_3_1.F ccsdt_lr_beta_4_4_1_1_3_2.F ccsdt_lr_beta_4_4_1_1_4.F ccsdt_lr_beta_4_4_1_1_4_1.F OFFSET_ccsdt_lr_beta_4_4_1_1_4_1.F ccsdt_lr_beta_4_4_1_1_4_2.F ccsdt_lr_beta_4_4_1_2.F ccsdt_lr_beta_4_4_1_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_2_1.F ccsdt_lr_beta_4_4_1_3.F ccsdt_lr_beta_4_4_1_3_1.F OFFSET_ccsdt_lr_beta_4_4_1_3_1.F ccsdt_lr_beta_4_4_1_4.F ccsdt_lr_beta_4_4_1_4_1.F OFFSET_ccsdt_lr_beta_4_4_1_4_1.F ccsdt_lr_beta_4_4_1_4_2.F ccsdt_lr_beta_4_4_1_4_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_4_2_1.F ccsdt_lr_beta_4_4_1_4_2_2.F ccsdt_lr_beta_4_4_1_4_3.F ccsdt_lr_beta_4_4_1_4_3_1.F OFFSET_ccsdt_lr_beta_4_4_1_4_3_1.F ccsdt_lr_beta_4_4_1_4_3_2.F ccsdt_lr_beta_4_4_1_5.F ccsdt_lr_beta_4_4_1_5_1.F OFFSET_ccsdt_lr_beta_4_4_1_5_1.F ccsdt_lr_beta_4_4_1_6.F ccsdt_lr_beta_4_4_1_6_1.F OFFSET_ccsdt_lr_beta_4_4_1_6_1.F ccsdt_lr_beta_4_4_1_7.F ccsdt_lr_beta_4_4_1_7_1.F OFFSET_ccsdt_lr_beta_4_4_1_7_1.F ccsdt_lr_beta_4_4_1_7_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_7_1_1.F ccsdt_lr_beta_4_4_1_7_2.F ccsdt_lr_beta_4_4_1_7_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_7_2_1.F ccsdt_lr_beta_4_4_1_8.F ccsdt_lr_beta_4_4_1_8_1.F OFFSET_ccsdt_lr_beta_4_4_1_8_1.F ccsdt_lr_beta_4_4_1_8_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_8_1_1.F ccsdt_lr_beta_4_4_1_8_2.F ccsdt_lr_beta_4_4_1_8_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_8_2_1.F ccsdt_lr_beta_4_4_1_9.F ccsdt_lr_beta_4_4_1_9_1.F OFFSET_ccsdt_lr_beta_4_4_1_9_1.F ccsdt_lr_beta_4_4_1_9_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_9_1_1.F ccsdt_lr_beta_4_4_1_9_1_2.F ccsdt_lr_beta_4_4_1_9_2.F ccsdt_lr_beta_4_4_1_9_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_9_2_1.F ccsdt_lr_beta_4_4_1_9_2_2.F ccsdt_lr_beta_4_4_1_10.F ccsdt_lr_beta_4_4_1_10_1.F OFFSET_ccsdt_lr_beta_4_4_1_10_1.F ccsdt_lr_beta_4_4_1_10_1_1.F OFFSET_ccsdt_lr_beta_4_4_1_10_1_1.F ccsdt_lr_beta_4_4_1_10_2.F ccsdt_lr_beta_4_4_1_10_2_1.F OFFSET_ccsdt_lr_beta_4_4_1_10_2_1.F ccsdt_lr_beta_4_4_2.F ccsdt_lr_beta_4_4_2_1.F OFFSET_ccsdt_lr_beta_4_4_2_1.F ccsdt_lr_beta_4_4_2_1_1.F OFFSET_ccsdt_lr_beta_4_4_2_1_1.F ccsdt_lr_beta_4_4_2_2.F ccsdt_lr_beta_4_4_2_2_1.F OFFSET_ccsdt_lr_beta_4_4_2_2_1.F ccsdt_lr_beta_4_4_3.F ccsdt_lr_beta_4_4_3_1.F OFFSET_ccsdt_lr_beta_4_4_3_1.F ccsdt_lr_beta_4_4_3_1_1.F OFFSET_ccsdt_lr_beta_4_4_3_1_1.F ccsdt_lr_beta_4_4_3_2.F ccsdt_lr_beta_4_4_3_2_1.F OFFSET_ccsdt_lr_beta_4_4_3_2_1.F ccsdt_lr_beta_4_4_4.F ccsdt_lr_beta_4_4_4_1.F OFFSET_ccsdt_lr_beta_4_4_4_1.F ccsdt_lr_beta_4_4_4_1_1.F OFFSET_ccsdt_lr_beta_4_4_4_1_1.F ccsdt_lr_beta_4_4_4_2.F ccsdt_lr_beta_4_4_4_2_1.F OFFSET_ccsdt_lr_beta_4_4_4_2_1.F ccsdt_lr_beta_4_4_5.F ccsdt_lr_beta_4_4_5_1.F OFFSET_ccsdt_lr_beta_4_4_5_1.F ccsdt_lr_beta_4_4_5_1_1.F OFFSET_ccsdt_lr_beta_4_4_5_1_1.F ccsdt_lr_beta_4_4_5_2.F ccsdt_lr_beta_4_4_5_2_1.F OFFSET_ccsdt_lr_beta_4_4_5_2_1.F ccsdt_lr_beta_4_4_5_3.F ccsdt_lr_beta_4_4_5_3_1.F OFFSET_ccsdt_lr_beta_4_4_5_3_1.F ccsdt_lr_beta_4_4_5_4.F ccsdt_lr_beta_4_4_5_4_1.F OFFSET_ccsdt_lr_beta_4_4_5_4_1.F ccsdt_lr_beta_4_4_6.F ccsdt_lr_beta_4_4_6_1.F OFFSET_ccsdt_lr_beta_4_4_6_1.F ccsdt_lr_beta_4_4_6_1_1.F OFFSET_ccsdt_lr_beta_4_4_6_1_1.F ccsdt_lr_beta_4_4_6_2.F ccsdt_lr_beta_4_4_6_2_1.F OFFSET_ccsdt_lr_beta_4_4_6_2_1.F ccsdt_lr_beta_4_4_7.F ccsdt_lr_beta_4_4_7_1.F OFFSET_ccsdt_lr_beta_4_4_7_1.F ccsdt_lr_beta_4_4_7_1_1.F OFFSET_ccsdt_lr_beta_4_4_7_1_1.F ccsdt_lr_beta_4_4_7_2.F ccsdt_lr_beta_4_4_7_2_1.F OFFSET_ccsdt_lr_beta_4_4_7_2_1.F ccsdt_lr_beta_4_4_8.F ccsdt_lr_beta_4_4_8_1.F OFFSET_ccsdt_lr_beta_4_4_8_1.F ccsdt_lr_beta_4_4_8_1_1.F OFFSET_ccsdt_lr_beta_4_4_8_1_1.F ccsdt_lr_beta_4_4_8_2.F ccsdt_lr_beta_4_4_8_2_1.F OFFSET_ccsdt_lr_beta_4_4_8_2_1.F ccsdt_lr_beta_4_4_9.F ccsdt_lr_beta_4_4_9_1.F OFFSET_ccsdt_lr_beta_4_4_9_1.F ccsdt_lr_beta_4_4_9_1_1.F OFFSET_ccsdt_lr_beta_4_4_9_1_1.F ccsdt_lr_beta_4_4_9_1_2.F ccsdt_lr_beta_4_4_9_1_3.F ccsdt_lr_beta_4_4_9_1_3_1.F OFFSET_ccsdt_lr_beta_4_4_9_1_3_1.F ccsdt_lr_beta_4_4_9_1_3_2.F ccsdt_lr_beta_4_4_9_1_4.F ccsdt_lr_beta_4_4_9_1_4_1.F OFFSET_ccsdt_lr_beta_4_4_9_1_4_1.F ccsdt_lr_beta_4_4_9_1_4_2.F ccsdt_lr_beta_4_4_9_2.F ccsdt_lr_beta_4_4_9_2_1.F OFFSET_ccsdt_lr_beta_4_4_9_2_1.F ccsdt_lr_beta_4_4_9_3.F ccsdt_lr_beta_4_4_9_3_1.F OFFSET_ccsdt_lr_beta_4_4_9_3_1.F ccsdt_lr_beta_4_4_9_4.F ccsdt_lr_beta_4_4_9_4_1.F OFFSET_ccsdt_lr_beta_4_4_9_4_1.F ccsdt_lr_beta_4_4_9_4_2.F ccsdt_lr_beta_4_4_9_4_3.F ccsdt_lr_beta_4_4_9_4_3_1.F OFFSET_ccsdt_lr_beta_4_4_9_4_3_1.F ccsdt_lr_beta_4_4_9_4_3_2.F ccsdt_lr_beta_4_4_9_4_4.F ccsdt_lr_beta_4_4_9_4_4_1.F OFFSET_ccsdt_lr_beta_4_4_9_4_4_1.F ccsdt_lr_beta_4_4_9_4_4_2.F ccsdt_lr_beta_4_4_9_5.F ccsdt_lr_beta_4_4_9_5_1.F OFFSET_ccsdt_lr_beta_4_4_9_5_1.F ccsdt_lr_beta_4_4_9_6.F ccsdt_lr_beta_4_4_9_6_1.F OFFSET_ccsdt_lr_beta_4_4_9_6_1.F ccsdt_lr_beta_4_4_9_7.F ccsdt_lr_beta_4_4_9_7_1.F OFFSET_ccsdt_lr_beta_4_4_9_7_1.F ccsdt_lr_beta_4_4_9_7_1_1.F OFFSET_ccsdt_lr_beta_4_4_9_7_1_1.F ccsdt_lr_beta_4_4_9_7_2.F ccsdt_lr_beta_4_4_9_7_2_1.F OFFSET_ccsdt_lr_beta_4_4_9_7_2_1.F ccsdt_lr_beta_4_4_9_8.F ccsdt_lr_beta_4_4_9_8_1.F OFFSET_ccsdt_lr_beta_4_4_9_8_1.F ccsdt_lr_beta_4_4_9_8_1_1.F OFFSET_ccsdt_lr_beta_4_4_9_8_1_1.F ccsdt_lr_beta_4_4_9_8_1_2.F ccsdt_lr_beta_4_4_9_8_2.F ccsdt_lr_beta_4_4_9_8_2_1.F OFFSET_ccsdt_lr_beta_4_4_9_8_2_1.F ccsdt_lr_beta_4_4_9_8_2_2.F ccsdt_lr_beta_4_4_9_9.F ccsdt_lr_beta_4_4_9_9_1.F OFFSET_ccsdt_lr_beta_4_4_9_9_1.F ccsdt_lr_beta_4_4_9_9_1_1.F OFFSET_ccsdt_lr_beta_4_4_9_9_1_1.F ccsdt_lr_beta_4_4_9_9_2.F ccsdt_lr_beta_4_4_9_9_2_1.F OFFSET_ccsdt_lr_beta_4_4_9_9_2_1.F ccsdt_lr_beta_4_4_9_10.F ccsdt_lr_beta_4_4_9_10_1.F OFFSET_ccsdt_lr_beta_4_4_9_10_1.F ccsdt_lr_beta_4_4_9_10_1_1.F OFFSET_ccsdt_lr_beta_4_4_9_10_1_1.F ccsdt_lr_beta_4_4_9_10_2.F ccsdt_lr_beta_4_4_9_10_2_1.F OFFSET_ccsdt_lr_beta_4_4_9_10_2_1.F ccsdt_lr_beta_4_4_10.F ccsdt_lr_beta_4_4_10_1.F OFFSET_ccsdt_lr_beta_4_4_10_1.F ccsdt_lr_beta_4_4_10_1_1.F OFFSET_ccsdt_lr_beta_4_4_10_1_1.F ccsdt_lr_beta_4_4_10_2.F ccsdt_lr_beta_4_4_10_2_1.F OFFSET_ccsdt_lr_beta_4_4_10_2_1.F ccsdt_lr_beta_4_4_11.F ccsdt_lr_beta_4_4_11_1.F OFFSET_ccsdt_lr_beta_4_4_11_1.F ccsdt_lr_beta_4_4_11_1_1.F OFFSET_ccsdt_lr_beta_4_4_11_1_1.F ccsdt_lr_beta_4_4_11_2.F ccsdt_lr_beta_4_4_11_2_1.F OFFSET_ccsdt_lr_beta_4_4_11_2_1.F ccsdt_lr_beta_4_4_12.F ccsdt_lr_beta_4_4_12_1.F OFFSET_ccsdt_lr_beta_4_4_12_1.F ccsdt_lr_beta_4_4_12_1_1.F OFFSET_ccsdt_lr_beta_4_4_12_1_1.F ccsdt_lr_beta_4_4_12_2.F ccsdt_lr_beta_4_4_12_2_1.F OFFSET_ccsdt_lr_beta_4_4_12_2_1.F ccsdt_lr_beta_4_4_13.F ccsdt_lr_beta_4_4_13_1.F OFFSET_ccsdt_lr_beta_4_4_13_1.F ccsdt_lr_beta_4_4_13_1_1.F OFFSET_ccsdt_lr_beta_4_4_13_1_1.F ccsdt_lr_beta_4_4_13_2.F ccsdt_lr_beta_4_4_13_2_1.F OFFSET_ccsdt_lr_beta_4_4_13_2_1.F ccsdt_lr_beta_4_4_13_3.F ccsdt_lr_beta_4_4_13_3_1.F OFFSET_ccsdt_lr_beta_4_4_13_3_1.F ccsdt_lr_beta_4_4_13_4.F ccsdt_lr_beta_4_4_13_4_1.F OFFSET_ccsdt_lr_beta_4_4_13_4_1.F ccsdt_lr_beta_4_4_14.F ccsdt_lr_beta_4_4_14_1.F OFFSET_ccsdt_lr_beta_4_4_14_1.F ccsdt_lr_beta_4_4_14_1_1.F OFFSET_ccsdt_lr_beta_4_4_14_1_1.F ccsdt_lr_beta_4_4_14_2.F ccsdt_lr_beta_4_4_14_2_1.F OFFSET_ccsdt_lr_beta_4_4_14_2_1.F ccsdt_lr_beta_4_4_15.F ccsdt_lr_beta_4_4_15_1.F OFFSET_ccsdt_lr_beta_4_4_15_1.F ccsdt_lr_beta_4_4_15_1_1.F OFFSET_ccsdt_lr_beta_4_4_15_1_1.F ccsdt_lr_beta_4_4_15_2.F ccsdt_lr_beta_4_4_15_2_1.F OFFSET_ccsdt_lr_beta_4_4_15_2_1.F ccsdt_lr_beta_4_4_16.F ccsdt_lr_beta_4_4_16_1.F OFFSET_ccsdt_lr_beta_4_4_16_1.F ccsdt_lr_beta_4_4_16_1_1.F OFFSET_ccsdt_lr_beta_4_4_16_1_1.F ccsdt_lr_beta_4_4_16_2.F ccsdt_lr_beta_4_4_16_2_1.F OFFSET_ccsdt_lr_beta_4_4_16_2_1.F ccsdt_lr_beta_4_4_17.F ccsdt_lr_beta_4_4_17_1.F OFFSET_ccsdt_lr_beta_4_4_17_1.F ccsdt_lr_beta_4_4_17_1_1.F OFFSET_ccsdt_lr_beta_4_4_17_1_1.F ccsdt_lr_beta_4_4_17_1_2.F ccsdt_lr_beta_4_4_17_1_3.F ccsdt_lr_beta_4_4_17_1_3_1.F OFFSET_ccsdt_lr_beta_4_4_17_1_3_1.F ccsdt_lr_beta_4_4_17_1_3_2.F ccsdt_lr_beta_4_4_17_1_4.F ccsdt_lr_beta_4_4_17_1_4_1.F OFFSET_ccsdt_lr_beta_4_4_17_1_4_1.F ccsdt_lr_beta_4_4_17_1_4_2.F ccsdt_lr_beta_4_4_17_2.F ccsdt_lr_beta_4_4_17_2_1.F OFFSET_ccsdt_lr_beta_4_4_17_2_1.F ccsdt_lr_beta_4_4_17_3.F ccsdt_lr_beta_4_4_17_3_1.F OFFSET_ccsdt_lr_beta_4_4_17_3_1.F ccsdt_lr_beta_4_4_17_4.F ccsdt_lr_beta_4_4_17_4_1.F OFFSET_ccsdt_lr_beta_4_4_17_4_1.F ccsdt_lr_beta_4_4_17_4_2.F ccsdt_lr_beta_4_4_17_4_3.F ccsdt_lr_beta_4_4_17_4_3_1.F OFFSET_ccsdt_lr_beta_4_4_17_4_3_1.F ccsdt_lr_beta_4_4_17_4_3_2.F ccsdt_lr_beta_4_4_17_4_4.F ccsdt_lr_beta_4_4_17_4_4_1.F OFFSET_ccsdt_lr_beta_4_4_17_4_4_1.F ccsdt_lr_beta_4_4_17_4_4_2.F ccsdt_lr_beta_4_4_17_5.F ccsdt_lr_beta_4_4_17_5_1.F OFFSET_ccsdt_lr_beta_4_4_17_5_1.F ccsdt_lr_beta_4_4_17_6.F ccsdt_lr_beta_4_4_17_6_1.F OFFSET_ccsdt_lr_beta_4_4_17_6_1.F ccsdt_lr_beta_4_4_17_7.F ccsdt_lr_beta_4_4_17_7_1.F OFFSET_ccsdt_lr_beta_4_4_17_7_1.F ccsdt_lr_beta_4_4_17_7_1_1.F OFFSET_ccsdt_lr_beta_4_4_17_7_1_1.F ccsdt_lr_beta_4_4_17_7_2.F ccsdt_lr_beta_4_4_17_7_2_1.F OFFSET_ccsdt_lr_beta_4_4_17_7_2_1.F ccsdt_lr_beta_4_4_17_8.F ccsdt_lr_beta_4_4_17_8_1.F OFFSET_ccsdt_lr_beta_4_4_17_8_1.F ccsdt_lr_beta_4_4_17_8_1_1.F OFFSET_ccsdt_lr_beta_4_4_17_8_1_1.F ccsdt_lr_beta_4_4_17_8_2.F ccsdt_lr_beta_4_4_17_8_2_1.F OFFSET_ccsdt_lr_beta_4_4_17_8_2_1.F ccsdt_lr_beta_4_4_17_9.F ccsdt_lr_beta_4_4_17_9_1.F OFFSET_ccsdt_lr_beta_4_4_17_9_1.F ccsdt_lr_beta_4_4_17_9_1_1.F OFFSET_ccsdt_lr_beta_4_4_17_9_1_1.F ccsdt_lr_beta_4_4_17_9_1_2.F ccsdt_lr_beta_4_4_17_9_2.F ccsdt_lr_beta_4_4_17_9_2_1.F OFFSET_ccsdt_lr_beta_4_4_17_9_2_1.F ccsdt_lr_beta_4_4_17_9_2_2.F ccsdt_lr_beta_4_4_17_10.F ccsdt_lr_beta_4_4_17_10_1.F OFFSET_ccsdt_lr_beta_4_4_17_10_1.F ccsdt_lr_beta_4_4_17_10_1_1.F OFFSET_ccsdt_lr_beta_4_4_17_10_1_1.F ccsdt_lr_beta_4_4_17_10_2.F ccsdt_lr_beta_4_4_17_10_2_1.F OFFSET_ccsdt_lr_beta_4_4_17_10_2_1.F ccsdt_lr_beta_4_4_18.F ccsdt_lr_beta_4_4_18_1.F OFFSET_ccsdt_lr_beta_4_4_18_1.F ccsdt_lr_beta_4_4_18_1_1.F OFFSET_ccsdt_lr_beta_4_4_18_1_1.F ccsdt_lr_beta_4_4_18_2.F ccsdt_lr_beta_4_4_18_2_1.F OFFSET_ccsdt_lr_beta_4_4_18_2_1.F ccsdt_lr_beta_4_4_19.F ccsdt_lr_beta_4_4_19_1.F OFFSET_ccsdt_lr_beta_4_4_19_1.F ccsdt_lr_beta_4_4_19_1_1.F OFFSET_ccsdt_lr_beta_4_4_19_1_1.F ccsdt_lr_beta_4_4_19_2.F ccsdt_lr_beta_4_4_19_2_1.F OFFSET_ccsdt_lr_beta_4_4_19_2_1.F ccsdt_lr_beta_4_4_20.F ccsdt_lr_beta_4_4_20_1.F OFFSET_ccsdt_lr_beta_4_4_20_1.F ccsdt_lr_beta_4_4_20_1_1.F OFFSET_ccsdt_lr_beta_4_4_20_1_1.F ccsdt_lr_beta_4_4_20_2.F ccsdt_lr_beta_4_4_20_2_1.F OFFSET_ccsdt_lr_beta_4_4_20_2_1.F ccsdt_lr_beta_4_4_21.F ccsdt_lr_beta_4_4_21_1.F OFFSET_ccsdt_lr_beta_4_4_21_1.F ccsdt_lr_beta_4_4_21_1_1.F OFFSET_ccsdt_lr_beta_4_4_21_1_1.F ccsdt_lr_beta_4_4_21_2.F ccsdt_lr_beta_4_4_21_2_1.F OFFSET_ccsdt_lr_beta_4_4_21_2_1.F ccsdt_lr_beta_4_4_21_3.F ccsdt_lr_beta_4_4_21_3_1.F OFFSET_ccsdt_lr_beta_4_4_21_3_1.F ccsdt_lr_beta_4_4_21_4.F ccsdt_lr_beta_4_4_21_4_1.F OFFSET_ccsdt_lr_beta_4_4_21_4_1.F ccsdt_lr_beta_4_4_22.F ccsdt_lr_beta_4_4_22_1.F OFFSET_ccsdt_lr_beta_4_4_22_1.F ccsdt_lr_beta_4_4_22_1_1.F OFFSET_ccsdt_lr_beta_4_4_22_1_1.F ccsdt_lr_beta_4_4_22_2.F ccsdt_lr_beta_4_4_22_2_1.F OFFSET_ccsdt_lr_beta_4_4_22_2_1.F ccsdt_lr_beta_4_4_23.F ccsdt_lr_beta_4_4_23_1.F OFFSET_ccsdt_lr_beta_4_4_23_1.F ccsdt_lr_beta_4_4_23_1_1.F OFFSET_ccsdt_lr_beta_4_4_23_1_1.F ccsdt_lr_beta_4_4_23_2.F ccsdt_lr_beta_4_4_23_2_1.F OFFSET_ccsdt_lr_beta_4_4_23_2_1.F ccsdt_lr_beta_4_4_24.F ccsdt_lr_beta_4_4_24_1.F OFFSET_ccsdt_lr_beta_4_4_24_1.F ccsdt_lr_beta_4_4_24_1_1.F OFFSET_ccsdt_lr_beta_4_4_24_1_1.F ccsdt_lr_beta_4_4_24_2.F ccsdt_lr_beta_4_4_24_2_1.F OFFSET_ccsdt_lr_beta_4_4_24_2_1.F ccsdt_lr_beta_4_4_25.F ccsdt_lr_beta_4_4_25_1.F OFFSET_ccsdt_lr_beta_4_4_25_1.F ccsdt_lr_beta_4_4_25_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_1_1.F ccsdt_lr_beta_4_4_25_1_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_1_1_1.F ccsdt_lr_beta_4_4_25_1_1_2.F ccsdt_lr_beta_4_4_25_1_2.F ccsdt_lr_beta_4_4_25_1_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_1_2_1.F ccsdt_lr_beta_4_4_25_1_2_2.F ccsdt_lr_beta_4_4_25_2.F ccsdt_lr_beta_4_4_25_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_2_1.F ccsdt_lr_beta_4_4_25_2_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_2_1_1.F ccsdt_lr_beta_4_4_25_2_2.F ccsdt_lr_beta_4_4_25_2_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_2_2_1.F ccsdt_lr_beta_4_4_25_3.F ccsdt_lr_beta_4_4_25_3_1.F OFFSET_ccsdt_lr_beta_4_4_25_3_1.F ccsdt_lr_beta_4_4_25_3_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_3_1_1.F ccsdt_lr_beta_4_4_25_3_1_2.F ccsdt_lr_beta_4_4_25_3_2.F ccsdt_lr_beta_4_4_25_3_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_3_2_1.F ccsdt_lr_beta_4_4_25_3_2_2.F ccsdt_lr_beta_4_4_25_4.F ccsdt_lr_beta_4_4_25_4_1.F OFFSET_ccsdt_lr_beta_4_4_25_4_1.F ccsdt_lr_beta_4_4_25_4_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_4_1_1.F ccsdt_lr_beta_4_4_25_4_2.F ccsdt_lr_beta_4_4_25_4_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_4_2_1.F ccsdt_lr_beta_4_4_25_5.F ccsdt_lr_beta_4_4_25_5_1.F OFFSET_ccsdt_lr_beta_4_4_25_5_1.F ccsdt_lr_beta_4_4_25_5_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_5_1_1.F ccsdt_lr_beta_4_4_25_5_1_2.F ccsdt_lr_beta_4_4_25_5_2.F ccsdt_lr_beta_4_4_25_5_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_5_2_1.F ccsdt_lr_beta_4_4_25_5_2_2.F ccsdt_lr_beta_4_4_25_6.F ccsdt_lr_beta_4_4_25_6_1.F OFFSET_ccsdt_lr_beta_4_4_25_6_1.F ccsdt_lr_beta_4_4_25_6_1_1.F OFFSET_ccsdt_lr_beta_4_4_25_6_1_1.F ccsdt_lr_beta_4_4_25_6_2.F ccsdt_lr_beta_4_4_25_6_2_1.F OFFSET_ccsdt_lr_beta_4_4_25_6_2_1.F ccsdt_lr_beta_4_5.F ccsdt_lr_beta_4_5_1.F OFFSET_ccsdt_lr_beta_4_5_1.F ccsdt_lr_beta_4_5_1_1.F OFFSET_ccsdt_lr_beta_4_5_1_1.F ccsdt_lr_beta_4_5_1_1_1.F OFFSET_ccsdt_lr_beta_4_5_1_1_1.F ccsdt_lr_beta_4_5_1_2.F ccsdt_lr_beta_4_5_1_2_1.F OFFSET_ccsdt_lr_beta_4_5_1_2_1.F ccsdt_lr_beta_4_5_1_3.F ccsdt_lr_beta_4_5_1_3_1.F OFFSET_ccsdt_lr_beta_4_5_1_3_1.F ccsdt_lr_beta_4_5_1_4.F ccsdt_lr_beta_4_5_1_4_1.F OFFSET_ccsdt_lr_beta_4_5_1_4_1.F ccsdt_lr_beta_4_5_2.F ccsdt_lr_beta_4_5_2_1.F OFFSET_ccsdt_lr_beta_4_5_2_1.F ccsdt_lr_beta_4_5_2_1_1.F OFFSET_ccsdt_lr_beta_4_5_2_1_1.F ccsdt_lr_beta_4_5_2_2.F ccsdt_lr_beta_4_5_2_2_1.F OFFSET_ccsdt_lr_beta_4_5_2_2_1.F ccsdt_lr_beta_4_5_2_3.F ccsdt_lr_beta_4_5_2_3_1.F OFFSET_ccsdt_lr_beta_4_5_2_3_1.F ccsdt_lr_beta_4_5_2_4.F ccsdt_lr_beta_4_5_2_4_1.F OFFSET_ccsdt_lr_beta_4_5_2_4_1.F ccsdt_lr_beta_4_5_3.F ccsdt_lr_beta_4_5_3_1.F OFFSET_ccsdt_lr_beta_4_5_3_1.F ccsdt_lr_beta_4_5_3_1_1.F OFFSET_ccsdt_lr_beta_4_5_3_1_1.F ccsdt_lr_beta_4_5_3_2.F ccsdt_lr_beta_4_5_3_2_1.F OFFSET_ccsdt_lr_beta_4_5_3_2_1.F ccsdt_lr_beta_4_5_3_3.F ccsdt_lr_beta_4_5_3_3_1.F OFFSET_ccsdt_lr_beta_4_5_3_3_1.F ccsdt_lr_beta_4_5_3_4.F ccsdt_lr_beta_4_5_3_4_1.F OFFSET_ccsdt_lr_beta_4_5_3_4_1.F converting ccsdt_lr_beta_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_3_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_15_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_18_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_5_18_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_5_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_7_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_7_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_12_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_13_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_14_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_14_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_6_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_6_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_7_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_13_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_15_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_15_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_18_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_18_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_19_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_20_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_20_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_20_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_21_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_21_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_21_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_22_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_22_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_23_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_23_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_23_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_24_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_24_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_24_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_24_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_25_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_25_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_25_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_25_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_26_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_26_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_26_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_27.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_27_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_27_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_27_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_27_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_27_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_27_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_28_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_28_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_29.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_29_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_29_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_29_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_29_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_29_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_29_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_29_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_30.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_30_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_30_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_30_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_30_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_30_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_30_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_30_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_31_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_31_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_31_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_31_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_31_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_31_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_32.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_32_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_32_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_32_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_32_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_32_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_32_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_32_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_33.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_33_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_33_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_33_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_33_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_33_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_33_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_33_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_34.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_34_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_34_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_34_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_34_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_34_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_8_34_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_8_34_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_11_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_12_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_2_9_13_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_2_9_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_2_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_4_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_4_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_1_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_1_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_5_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_9_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_9_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_11_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_11_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_11_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_12_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_12_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_12_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_13_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_14_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_14_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_14_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_15_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_15_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_15_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_16_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_16_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_16_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_7_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_7_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_7_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_7_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_8_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_8_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_8_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_8_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_10_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_10_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_17_10_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_17_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_18_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_18_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_18_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_19_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_19_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_19_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_20_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_20_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_20_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_21_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_21_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_21_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_22_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_22_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_22_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_23_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_23_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_23_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_24_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_24_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_24_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_24_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_4_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_4_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_6_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_6_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_4_25_6_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_4_25_6_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_1_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_2_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_1_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_2_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_3_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lr_beta_4_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting OFFSET_ccsdt_lr_beta_4_5_3_4_1.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' Making 64_to_32 in ccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_e.F ccsdt_t1a.F ccsdt_t1.F ccsdt_t2a.F ccsdt_t2.F ccsdt_t3_1_2_2_2.F ccsdt_t3_1_2_2.F ccsdt_t3_1_2_3.F ccsdt_t3_1_2.F ccsdt_t3_1_3_2.F ccsdt_t3_1_3.F ccsdt_t3_1_4_2.F ccsdt_t3_1_4.F ccsdt_t3_1_5_2.F ccsdt_t3_1_5.F ccsdt_t3_1_6.F ccsdt_t3_1_7.F ccsdt_t3_1.F ccsdt_t3_2_2.F ccsdt_t3_2_3_2.F ccsdt_t3_2_3.F ccsdt_t3_2_4.F ccsdt_t3_2_5.F ccsdt_t3_2.F ccsdt_t3_3_2_2.F ccsdt_t3_3_2.F ccsdt_t3_3_3.F ccsdt_t3_3_4.F ccsdt_t3_3.F ccsdt_t3_4_2.F ccsdt_t3_4_3.F ccsdt_t3_4.F ccsdt_t3_5_2_2.F ccsdt_t3_5_2.F ccsdt_t3_5_3.F ccsdt_t3_5.F ccsdt_t3_6_2.F ccsdt_t3_6_3.F ccsdt_t3_6.F ccsdt_t3_7.F ccsdt_t3_8_1_2_2.F ccsdt_t3_8_1_2.F ccsdt_t3_8_1_3.F ccsdt_t3_8_1_4.F ccsdt_t3_8_1.F ccsdt_t3_8_2_2.F ccsdt_t3_8_2.F ccsdt_t3_8_3_2.F ccsdt_t3_8_3.F ccsdt_t3_8_4.F ccsdt_t3_8_5_1.F ccsdt_t3_8_5.F ccsdt_t3_8.F ccsdt_t3_9_1.F ccsdt_t3_9.F ccsdt_t3a_1_2_2_2.F ccsdt_t3a_1_2_2.F ccsdt_t3a_1_2_3.F ccsdt_t3a_1_2.F ccsdt_t3a_1_3_2.F ccsdt_t3a_1_3.F ccsdt_t3a_1_4_2.F ccsdt_t3a_1_4.F ccsdt_t3a_1_5_2.F ccsdt_t3a_1_5.F ccsdt_t3a_1_6.F ccsdt_t3a_1_7.F ccsdt_t3a_1.F ccsdt_t3a_2_2.F ccsdt_t3a_2_3_2.F ccsdt_t3a_2_3.F ccsdt_t3a_2_4.F ccsdt_t3a_2_5.F ccsdt_t3a_2.F ccsdt_t3a_3_2_2.F ccsdt_t3a_3_2.F ccsdt_t3a_3_3.F ccsdt_t3a_3_4.F ccsdt_t3a_3.F ccsdt_t3a_4_2.F ccsdt_t3a_4_3.F ccsdt_t3a_4.F ccsdt_t3a_5_2_2.F ccsdt_t3a_5_2.F ccsdt_t3a_5_3.F ccsdt_t3a_5.F ccsdt_t3a_6_2.F ccsdt_t3a_6_3.F ccsdt_t3a_6.F ccsdt_t3a_7.F ccsdt_t3a_8_1_2_2.F ccsdt_t3a_8_1_2.F ccsdt_t3a_8_1_3.F ccsdt_t3a_8_1_4.F ccsdt_t3a_8_1.F ccsdt_t3a_8_2_2.F ccsdt_t3a_8_2.F ccsdt_t3a_8_3_2.F ccsdt_t3a_8_3.F ccsdt_t3a_8_4.F ccsdt_t3a_8_5_1.F ccsdt_t3a_8_5.F ccsdt_t3a_8.F ccsdt_t3a_9_1.F ccsdt_t3a_9.F converting ccsdt_e.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Making 64_to_32 in ccsdt_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdt_density1.F ccsdt_lambda1_10_1.F ccsdt_lambda1_10_2.F ccsdt_lambda1_10_3.F ccsdt_lambda1_10.F ccsdt_lambda1_11_1.F ccsdt_lambda1_11_2.F ccsdt_lambda1_11_3.F ccsdt_lambda1_11.F ccsdt_lambda1_12_1.F ccsdt_lambda1_12_2.F ccsdt_lambda1_12_3.F ccsdt_lambda1_12.F ccsdt_lambda1_13_1.F ccsdt_lambda1_13_2.F ccsdt_lambda1_13.F ccsdt_lambda1_14_1.F ccsdt_lambda1_14_2.F ccsdt_lambda1_14_3_1.F ccsdt_lambda1_14_3_2.F ccsdt_lambda1_14_3_3_1.F ccsdt_lambda1_14_3_3_2.F ccsdt_lambda1_14_3_3.F ccsdt_lambda1_14_3.F ccsdt_lambda1_14_4_1.F ccsdt_lambda1_14_4.F ccsdt_lambda1_14_5_1.F ccsdt_lambda1_14_5_2.F ccsdt_lambda1_14_5.F ccsdt_lambda1_14_6_1.F ccsdt_lambda1_14_6.F ccsdt_lambda1_14_7_1.F ccsdt_lambda1_14_7.F ccsdt_lambda1_14_8_1.F ccsdt_lambda1_14_8.F ccsdt_lambda1_14_9_1_1.F ccsdt_lambda1_14_9_1.F ccsdt_lambda1_14_9.F ccsdt_lambda1_14.F ccsdt_lambda1_15_1.F ccsdt_lambda1_15_2.F ccsdt_lambda1_15_3_1.F ccsdt_lambda1_15_3.F ccsdt_lambda1_15_4_1.F ccsdt_lambda1_15_4.F ccsdt_lambda1_15.F ccsdt_lambda1_16_1.F ccsdt_lambda1_16_2.F ccsdt_lambda1_16_3_1.F ccsdt_lambda1_16_3_2.F ccsdt_lambda1_16_3.F ccsdt_lambda1_16_4_1.F ccsdt_lambda1_16_4.F ccsdt_lambda1_16.F ccsdt_lambda1_17_1.F ccsdt_lambda1_17.F ccsdt_lambda1_18_1_2.F ccsdt_lambda1_18_1_3.F ccsdt_lambda1_18_1_4.F ccsdt_lambda1_18_1.F ccsdt_lambda1_18_2_2.F ccsdt_lambda1_18_2.F ccsdt_lambda1_18_3_2.F ccsdt_lambda1_18_3.F ccsdt_lambda1_18_4.F ccsdt_lambda1_18_5_1.F ccsdt_lambda1_18_5.F ccsdt_lambda1_18_6_1_1.F ccsdt_lambda1_18_6_1.F ccsdt_lambda1_18_6.F ccsdt_lambda1_18.F ccsdt_lambda1_19_1.F ccsdt_lambda1_19.F ccsdt_lambda1_20_1_1.F ccsdt_lambda1_20_1.F ccsdt_lambda1_20.F ccsdt_lambda1_21_1_1.F ccsdt_lambda1_21_1.F ccsdt_lambda1_21_2_1_1.F ccsdt_lambda1_21_2_1.F ccsdt_lambda1_21_2.F ccsdt_lambda1_21.F ccsdt_lambda1_2_2_2.F ccsdt_lambda1_2_2.F ccsdt_lambda1_2_3.F ccsdt_lambda1_2_4.F ccsdt_lambda1_2.F ccsdt_lambda1_3_2.F ccsdt_lambda1_3_3_1.F ccsdt_lambda1_3_3.F ccsdt_lambda1_3.F ccsdt_lambda1_4.F ccsdt_lambda1_5_2_2_2.F ccsdt_lambda1_5_2_2.F ccsdt_lambda1_5_2_3.F ccsdt_lambda1_5_2_4.F ccsdt_lambda1_5_2.F ccsdt_lambda1_5_3_2.F ccsdt_lambda1_5_3.F ccsdt_lambda1_5_4.F ccsdt_lambda1_5_5_2.F ccsdt_lambda1_5_5.F ccsdt_lambda1_5_6_2.F ccsdt_lambda1_5_6.F ccsdt_lambda1_5_7.F ccsdt_lambda1_5_8.F ccsdt_lambda1_5.F ccsdt_lambda1_6_2_2_2.F ccsdt_lambda1_6_2_2.F ccsdt_lambda1_6_2_3.F ccsdt_lambda1_6_2.F ccsdt_lambda1_6_3_2.F ccsdt_lambda1_6_3.F ccsdt_lambda1_6_4_2.F ccsdt_lambda1_6_4.F ccsdt_lambda1_6_5_2.F ccsdt_lambda1_6_5.F ccsdt_lambda1_6_6.F ccsdt_lambda1_6_7.F ccsdt_lambda1_6.F ccsdt_lambda1_7_2.F ccsdt_lambda1_7.F ccsdt_lambda1_8_10_2.F ccsdt_lambda1_8_10.F ccsdt_lambda1_8_11.F ccsdt_lambda1_8_12_1.F ccsdt_lambda1_8_12_2.F ccsdt_lambda1_8_12_3.F ccsdt_lambda1_8_12.F ccsdt_lambda1_8_13_1.F ccsdt_lambda1_8_13_2.F ccsdt_lambda1_8_13_3.F ccsdt_lambda1_8_13.F ccsdt_lambda1_8_14_1.F ccsdt_lambda1_8_14_2.F ccsdt_lambda1_8_14.F ccsdt_lambda1_8_2_2_2_2.F ccsdt_lambda1_8_2_2_2.F ccsdt_lambda1_8_2_2_3.F ccsdt_lambda1_8_2_2.F ccsdt_lambda1_8_2_3_2.F ccsdt_lambda1_8_2_3.F ccsdt_lambda1_8_2_4.F ccsdt_lambda1_8_2_5_1.F ccsdt_lambda1_8_2_5.F ccsdt_lambda1_8_2.F ccsdt_lambda1_8_3_2.F ccsdt_lambda1_8_3.F ccsdt_lambda1_8_4_2_1.F ccsdt_lambda1_8_4_2.F ccsdt_lambda1_8_4.F ccsdt_lambda1_8_5_2_1.F ccsdt_lambda1_8_5_2.F ccsdt_lambda1_8_5.F ccsdt_lambda1_8_6_2_2.F ccsdt_lambda1_8_6_2.F ccsdt_lambda1_8_6_3.F ccsdt_lambda1_8_6.F ccsdt_lambda1_8_7_2.F ccsdt_lambda1_8_7_3.F ccsdt_lambda1_8_7.F ccsdt_lambda1_8_8.F ccsdt_lambda1_8_9_2.F ccsdt_lambda1_8_9.F ccsdt_lambda1_8.F ccsdt_lambda1_9_2.F ccsdt_lambda1_9_3.F ccsdt_lambda1_9_4_1.F ccsdt_lambda1_9_4_2.F ccsdt_lambda1_9_4_3.F ccsdt_lambda1_9_4.F ccsdt_lambda1_9_5_1.F ccsdt_lambda1_9_5_2.F ccsdt_lambda1_9_5.F ccsdt_lambda1_9_6_1.F ccsdt_lambda1_9_6.F ccsdt_lambda1_9.F ccsdt_lambda2_10_2_2_2.F ccsdt_lambda2_10_2_2.F ccsdt_lambda2_10_2_3.F ccsdt_lambda2_10_2_4.F ccsdt_lambda2_10_2.F ccsdt_lambda2_10_3_2.F ccsdt_lambda2_10_3_3.F ccsdt_lambda2_10_3.F ccsdt_lambda2_10_4.F ccsdt_lambda2_10_5_2.F ccsdt_lambda2_10_5.F ccsdt_lambda2_10_6.F ccsdt_lambda2_10_7.F ccsdt_lambda2_10_8.F ccsdt_lambda2_10.F ccsdt_lambda2_11_2_2_2.F ccsdt_lambda2_11_2_2.F ccsdt_lambda2_11_2_3.F ccsdt_lambda2_11_2.F ccsdt_lambda2_11_3_2.F ccsdt_lambda2_11_3.F ccsdt_lambda2_11_4_2.F ccsdt_lambda2_11_4.F ccsdt_lambda2_11_5_2.F ccsdt_lambda2_11_5.F ccsdt_lambda2_11_6.F ccsdt_lambda2_11_7.F ccsdt_lambda2_11.F ccsdt_lambda2_12_2.F ccsdt_lambda2_12_3_2.F ccsdt_lambda2_12_3.F ccsdt_lambda2_12_4.F ccsdt_lambda2_12_5.F ccsdt_lambda2_12_6_1.F ccsdt_lambda2_12_6.F ccsdt_lambda2_12_7_1.F ccsdt_lambda2_12_7.F ccsdt_lambda2_12.F ccsdt_lambda2_13_1.F ccsdt_lambda2_13_2.F ccsdt_lambda2_13_3.F ccsdt_lambda2_13.F ccsdt_lambda2_14_1.F ccsdt_lambda2_14_2.F ccsdt_lambda2_14.F ccsdt_lambda2_15_1.F ccsdt_lambda2_15_2.F ccsdt_lambda2_15.F ccsdt_lambda2_16_1.F ccsdt_lambda2_16_2.F ccsdt_lambda2_16.F ccsdt_lambda2_17_1.F ccsdt_lambda2_17.F ccsdt_lambda2_18_1.F ccsdt_lambda2_18_2.F ccsdt_lambda2_18.F ccsdt_lambda2_19_1.F ccsdt_lambda2_19_2.F ccsdt_lambda2_19_3_1.F ccsdt_lambda2_19_3.F ccsdt_lambda2_19_4_1.F ccsdt_lambda2_19_4.F ccsdt_lambda2_19.F ccsdt_lambda2_20_1.F ccsdt_lambda2_20.F ccsdt_lambda2_21_1.F ccsdt_lambda2_21.F ccsdt_lambda2_22_1.F ccsdt_lambda2_2_2.F ccsdt_lambda2_22.F ccsdt_lambda2_23_1.F ccsdt_lambda2_23_2_1.F ccsdt_lambda2_23_2_2.F ccsdt_lambda2_23_2.F ccsdt_lambda2_23_3_1.F ccsdt_lambda2_23_3.F ccsdt_lambda2_23.F ccsdt_lambda2_24_1_1.F ccsdt_lambda2_24_1.F ccsdt_lambda2_24.F ccsdt_lambda2_25_1_1.F ccsdt_lambda2_25_1.F ccsdt_lambda2_25.F ccsdt_lambda2_26_1_1.F ccsdt_lambda2_26_1.F ccsdt_lambda2_26_2_1_1.F ccsdt_lambda2_26_2_1.F ccsdt_lambda2_26_2.F ccsdt_lambda2_26.F ccsdt_lambda2_2.F ccsdt_lambda2_3_2.F ccsdt_lambda2_3.F ccsdt_lambda2_4.F ccsdt_lambda2_5_2_2.F ccsdt_lambda2_5_2.F ccsdt_lambda2_5_3.F ccsdt_lambda2_5_4.F ccsdt_lambda2_5.F ccsdt_lambda2_6_2.F ccsdt_lambda2_6_3.F ccsdt_lambda2_6_4_1.F ccsdt_lambda2_6_4.F ccsdt_lambda2_6.F ccsdt_lambda2_7_2_2.F ccsdt_lambda2_7_2.F ccsdt_lambda2_7_3.F ccsdt_lambda2_7.F ccsdt_lambda2_8_2.F ccsdt_lambda2_8_3.F ccsdt_lambda2_8.F ccsdt_lambda2_9.F ccsdt_lambda3.F converting ccsdt_density1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda3.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Making 64_to_32 in eomccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 eomccsdt_denominator.F eomccsdt_density1_1_1.F eomccsdt_density1_1_2.F eomccsdt_density1_1_3.F eomccsdt_density1_1.F eomccsdt_density1_2_1.F eomccsdt_density1_2_2_1.F eomccsdt_density1_2_2.F eomccsdt_density1_2.F eomccsdt_density1_3_1.F eomccsdt_density1_3_2.F eomccsdt_density1_3_3.F eomccsdt_density1_3_4_1.F eomccsdt_density1_3_4_2.F eomccsdt_density1_3_4_3.F eomccsdt_density1_3_4.F eomccsdt_density1_3_5_1.F eomccsdt_density1_3_5_2.F eomccsdt_density1_3_5.F eomccsdt_density1_3_6_1.F eomccsdt_density1_3_6.F eomccsdt_density1_3.F eomccsdt_density1_4_1.F eomccsdt_density1_4_2_1.F eomccsdt_density1_4_2.F eomccsdt_density1_4.F eomccsdt_density1_5_10_1.F eomccsdt_density1_5_10_2_1.F eomccsdt_density1_5_10_2_2.F eomccsdt_density1_5_10_2.F eomccsdt_density1_5_10_3_1.F eomccsdt_density1_5_10_3.F eomccsdt_density1_5_10.F eomccsdt_density1_5_11_1.F eomccsdt_density1_5_11.F eomccsdt_density1_5_12_1.F eomccsdt_density1_5_12.F eomccsdt_density1_5_13_1_1.F eomccsdt_density1_5_13_1.F eomccsdt_density1_5_13.F eomccsdt_density1_5_1.F eomccsdt_density1_5_2.F eomccsdt_density1_5_3_1.F eomccsdt_density1_5_3_2.F eomccsdt_density1_5_3_3.F eomccsdt_density1_5_3_4_1.F eomccsdt_density1_5_3_4_2.F eomccsdt_density1_5_3_4_3.F eomccsdt_density1_5_3_4.F eomccsdt_density1_5_3_5_1.F eomccsdt_density1_5_3_5_2.F eomccsdt_density1_5_3_5.F eomccsdt_density1_5_3_6_1.F eomccsdt_density1_5_3_6.F eomccsdt_density1_5_3.F eomccsdt_density1_5_4_1.F eomccsdt_density1_5_4_2.F eomccsdt_density1_5_4_3.F eomccsdt_density1_5_4.F eomccsdt_density1_5_5_1.F eomccsdt_density1_5_5_2.F eomccsdt_density1_5_5_3.F eomccsdt_density1_5_5.F eomccsdt_density1_5_6_1.F eomccsdt_density1_5_6_2.F eomccsdt_density1_5_6.F eomccsdt_density1_5_7_1.F eomccsdt_density1_5_7.F eomccsdt_density1_5_8_1.F eomccsdt_density1_5_8_2.F eomccsdt_density1_5_8_3.F eomccsdt_density1_5_8.F eomccsdt_density1_5_9_1.F eomccsdt_density1_5_9_2.F eomccsdt_density1_5_9.F eomccsdt_density1_5.F eomccsdt_density1_6_1.F eomccsdt_density1_6_2.F eomccsdt_density1_6_3_1.F eomccsdt_density1_6_3_2.F eomccsdt_density1_6_3.F eomccsdt_density1_6_4_1.F eomccsdt_density1_6_4_2.F eomccsdt_density1_6_4.F eomccsdt_density1_6_5_1.F eomccsdt_density1_6_5.F eomccsdt_density1_6.F eomccsdt_x1a.F eomccsdt_x1.F eomccsdt_x2a_all12.F eomccsdt_x2a_all15.F eomccsdt_x2a_all18.F eomccsdt_x2a_all3.F eomccsdt_x2a_all6.F eomccsdt_x2a_all9.F eomccsdt_x2_all12.F eomccsdt_x2_all15.F eomccsdt_x2_all18.F eomccsdt_x2_all3.F eomccsdt_x2_all6.F eomccsdt_x2_all9.F eomccsdt_x3a_all12.F eomccsdt_x3a_all15.F eomccsdt_x3a_all17.F eomccsdt_x3a_all3.F eomccsdt_x3a_all6.F eomccsdt_x3a_all9.F eomccsdt_x3_all12.F eomccsdt_x3_all15.F eomccsdt_x3_all17.F eomccsdt_x3_all3.F eomccsdt_x3_all6.F eomccsdt_x3_all9.F eomccsdt_y1_all12.F eomccsdt_y1_all15.F eomccsdt_y1_all18.F eomccsdt_y1_all20.F eomccsdt_y1_all3.F eomccsdt_y1_all6.F eomccsdt_y1_all9.F eomccsdt_y2_all12.F eomccsdt_y2_all15.F eomccsdt_y2_all18.F eomccsdt_y2_all21.F eomccsdt_y2_all24.F eomccsdt_y2_all25.F eomccsdt_y2_all3.F eomccsdt_y2_all6.F eomccsdt_y2_all9.F eomccsdt_y3.F converting eomccsdt_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all20.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all21.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all24.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all25.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y3.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Making 64_to_32 in ccsd_alpha make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 alpha_1_1_1.F alpha_1_1_2.F alpha_1_1_3_1.F alpha_1_1_3_2.F alpha_1_1_3.F alpha_1_1_4_1.F alpha_1_1_4_2.F alpha_1_1_4.F alpha_1_1_5_1.F alpha_1_1_5.F alpha_1_1_6_1.F alpha_1_1_6.F alpha_1_1.F alpha_1_2_1.F alpha_1_2_2.F alpha_1_2.F alpha_1_3_1.F alpha_1_3.F alpha_1_4_1.F alpha_1_4.F alpha_1.F alpha_2_1_1.F alpha_2_1.F alpha_2_2_1_1.F alpha_2_2_1_2.F alpha_2_2_1.F alpha_2_2_2_1.F alpha_2_2_2_2.F alpha_2_2_2.F alpha_2_2_3_1.F alpha_2_2_3.F alpha_2_2_4_1.F alpha_2_2_4.F alpha_2_2.F alpha_2_3_1_1.F alpha_2_3_1_2.F alpha_2_3_1_3_1.F alpha_2_3_1_3.F alpha_2_3_1_4_1.F alpha_2_3_1_4.F alpha_2_3_1.F alpha_2_3_2_1.F alpha_2_3_2_2.F alpha_2_3_2_3_1.F alpha_2_3_2_3.F alpha_2_3_2_4_1.F alpha_2_3_2_4.F alpha_2_3_2.F alpha_2_3_3_1.F alpha_2_3_3.F alpha_2_3_4_1.F alpha_2_3_4.F alpha_2_3_5_1.F alpha_2_3_5.F alpha_2_3_6_1.F alpha_2_3_6.F alpha_2_3_7_1.F alpha_2_3_7.F alpha_2_3_8_1.F alpha_2_3_8.F alpha_2_3_9_1_1.F alpha_2_3_9_1.F alpha_2_3_9_2_1.F alpha_2_3_9_2.F alpha_2_3_9.F alpha_2_3.F alpha_2_4_1_1.F alpha_2_4_1.F alpha_2_4.F alpha_2_5_10_1_1.F alpha_2_5_10_1.F alpha_2_5_10_2_1.F alpha_2_5_10_2.F alpha_2_5_10_3_1.F alpha_2_5_10_3.F alpha_2_5_10_4_1.F alpha_2_5_10_4.F alpha_2_5_10_5_1.F alpha_2_5_10_5.F alpha_2_5_10_6_1.F alpha_2_5_10_6.F alpha_2_5_10_7_1.F alpha_2_5_10_7.F alpha_2_5_10_8_1_1.F alpha_2_5_10_8_1.F alpha_2_5_10_8.F alpha_2_5_10.F alpha_2_5_11_1_1.F alpha_2_5_11_1.F alpha_2_5_1_1.F alpha_2_5_11.F alpha_2_5_12_1_1.F alpha_2_5_12_1.F alpha_2_5_1_2.F alpha_2_5_12.F alpha_2_5_13_1_1.F alpha_2_5_1_3_1.F alpha_2_5_13_1.F alpha_2_5_13_2_1.F alpha_2_5_13_2.F alpha_2_5_1_3.F alpha_2_5_13.F alpha_2_5_14_1_1.F alpha_2_5_14_1.F alpha_2_5_14_2_1.F alpha_2_5_14_2.F alpha_2_5_14.F alpha_2_5_1.F alpha_2_5_2_1.F alpha_2_5_2.F alpha_2_5_3_1.F alpha_2_5_3_2.F alpha_2_5_3.F alpha_2_5_4_1.F alpha_2_5_4_2_1.F alpha_2_5_4_2.F alpha_2_5_4.F alpha_2_5_5_1.F alpha_2_5_5_2.F alpha_2_5_5.F alpha_2_5_6_1.F alpha_2_5_6.F alpha_2_5_7_1.F alpha_2_5_7.F alpha_2_5_8_1.F alpha_2_5_8.F alpha_2_5_9_1.F alpha_2_5_9.F alpha_2_5.F alpha_2_6_1_1.F alpha_2_6_1.F alpha_2_6.F alpha_2_7_1_1.F alpha_2_7_1_2_1.F alpha_2_7_1_2.F alpha_2_7_1.F alpha_2_7_2_1.F alpha_2_7_2.F alpha_2_7_3_1.F alpha_2_7_3.F alpha_2_7_4_1.F alpha_2_7_4_2_1.F alpha_2_7_4_2.F alpha_2_7_4.F alpha_2_7_5_1.F alpha_2_7_5.F alpha_2_7_6_1.F alpha_2_7_6.F alpha_2_7_7_1_1.F alpha_2_7_7_1.F alpha_2_7_7.F alpha_2_7.F alpha_2_8_1_1.F alpha_2_8_1.F alpha_2_8_2_1.F alpha_2_8_2.F alpha_2_8_3_1.F alpha_2_8_3.F alpha_2_8_4_1_1.F alpha_2_8_4_1_2_1.F alpha_2_8_4_1_2.F alpha_2_8_4_1.F alpha_2_8_4_2_1.F alpha_2_8_4_2.F alpha_2_8_4_3_1.F alpha_2_8_4_3_2_1.F alpha_2_8_4_3_2.F alpha_2_8_4_3.F alpha_2_8_4_4_1.F alpha_2_8_4_4.F alpha_2_8_4_5_1_1.F alpha_2_8_4_5_1.F alpha_2_8_4_5.F alpha_2_8_4.F alpha_2_8_5_1_1.F alpha_2_8_5_1.F alpha_2_8_5_2_1.F alpha_2_8_5_2.F alpha_2_8_5.F alpha_2_8_6_1_1.F alpha_2_8_6_1.F alpha_2_8_6_2_1.F alpha_2_8_6_2.F alpha_2_8_6_3_1.F alpha_2_8_6_3.F alpha_2_8_6_4_1.F alpha_2_8_6_4.F alpha_2_8_6.F alpha_2_8_7_1_1.F alpha_2_8_7_1.F alpha_2_8_7.F alpha_2_8_8_1_1.F alpha_2_8_8_1.F alpha_2_8_8.F alpha_2_8.F alpha_2.F dip_r_1_1.F dip_r_1_2.F dip_r_1.F dip_r_2.F dip_r.F converting alpha_1_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_2.F to 32-bit integers for BLAS/LAPACK converting dip_r.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Making 64_to_32 in ccsd_beta make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 beta_1_all.F beta_2_all.F beta_3_all.F beta_4_all.F beta_1_3_3_1_1.F beta_1_4_1_2_1.F beta_1_3_1_4_1.F beta_3_7_5_1_1.F beta_3_1_3_1.F beta_3_2_1_2.F beta_1_4_2_2.F beta_1_3_4_1.F beta_1_4_1_4.F beta_1_3_1_7.F beta_3_7_2_1.F beta_3_2_9_2.F beta_3_3_1.F beta_4_1_2.F beta_3_2_3.F beta_3_4_11_1.F beta_3_4_10_3.F beta_1_4_5.F beta_1_3_7.F beta_1_4_1_1_2_1.F beta_4_3.F beta_3_5.F beta_1_4_2_1_1.F beta_1_4_6_3_1.F beta_3_7_4_3_1.F beta_3_2_2_1.F beta_1_4_3_1.F beta_3_2_1_3.F beta_3_4_10_1_1.F beta_1_4_1_5.F beta_1_3_1_8.F beta_3_6_4_1.F beta_3_4_7_1.F beta_4_2_1.F beta_3_2_4.F beta_1_4_6.F beta_3_4_10_4.F beta_1_3_8.F beta_4_4.F beta_3_6.F beta_3_7_4_5_1_1.F beta_1_1_1_1_1.F beta_1_4_1_3_1.F beta_1_3_1_5_1.F beta_3_6_1_2_1.F beta_3_6_7_1_1.F beta_3_7_5_2_1.F beta_3_7_4_3_2.F beta_3_3_1_1.F beta_3_2_2_2.F beta_3_1_4_1.F beta_3_2_1_4.F beta_1_3_5_1.F beta_1_4_3_2.F beta_3_7_3_1.F beta_3_6_4_2.F beta_3_4_1.F beta_3_4_12_1.F beta_3_2_5.F beta_3_4_10_5.F beta_1_4_6_1_1_1.F beta_3_7.F beta_1_3_4_1_1.F beta_1_4_2_2_1.F beta_1_4_1_3_2.F beta_3_4_4_2_1.F beta_3_7_6_1_1.F beta_3_7_4_4_1.F beta_3_2_3_1.F beta_3_4_10_2_1.F beta_3_2_2_3.F beta_1_4_4_1.F beta_1_4_3_3.F beta_3_6_5_1.F beta_3_4_8_1.F beta_4_3_1.F beta_3_4_2.F beta_3_2_6.F beta_3_4_10_6.F beta_1_1_1_2_1.F beta_1_4_3_1_1.F beta_3_2_1_3_1.F beta_1_4_1_4_1.F beta_1_3_1_6_1.F beta_1_1_1_1.F beta_3_4_11_1_1.F beta_1_3_6_1.F beta_3_2_2_4.F beta_1_4_3_4.F beta_3_7_4_1.F beta_4_3_2.F beta_3_5_1.F beta_3_4_3.F beta_3_4_13_1.F beta_3_2_7.F beta_3_4_10_7.F beta_1_1_2_1_1.F beta_3_7_6_2_1.F beta_3_7_4_5_1.F beta_1_1_1_2.F beta_3_4_1_1.F beta_3_2_4_1.F beta_1_4_5_1.F beta_3_4_10_3_1.F beta_1_3_6_2.F beta_3_7_4_2.F beta_3_6_6_1.F beta_3_4_9_1.F beta_4_4_1.F beta_4_3_3.F beta_3_4_4.F beta_3_4_13_2.F beta_3_2_8.F beta_3_4_10_8.F beta_1_4_6_2_1_1.F beta_1_3_8_1_1_1.F beta_1_2_1_1_1.F beta_1_4_3_2_1.F beta_1_3_5_1_1.F beta_3_2_1_4_1.F beta_1_4_1_5_1.F beta_1_3_1_7_1.F beta_3_7_7_1_1.F beta_1_1_2_1.F beta_3_4_1_2.F beta_1_3_7_1.F beta_3_7_5_1.F beta_3_7_4_3.F beta_1_1_1.F beta_3_6_1.F beta_4_3_4.F beta_3_4_14_1.F beta_3_4_5.F beta_3_2_9.F beta_1_4_1_3_2_1.F beta_1_1_2_2_1.F beta_1_4_4_1_1.F beta_3_2_2_3_1.F beta_3_7_6_3_1.F beta_1_2_1_1.F beta_1_1_2_2.F beta_3_4_2_1.F beta_3_2_5_1.F beta_3_4_12_1_1.F beta_3_4_1_3.F beta_1_4_6_1.F beta_3_4_10_4_1.F beta_1_3_7_2.F beta_3_7_5_2.F beta_3_6_7_1.F beta_3_7_4_4.F beta_1_1_2.F beta_3_6_2.F beta_4_3_5.F beta_3_4_14_2.F beta_3_4_6.F beta_3_7_4_1_2_1.F beta_1_1_3_1_1.F beta_1_4_3_3_1.F beta_1_3_1_8_1.F beta_3_2_9_1_1.F beta_2_1_1_1.F beta_1_1_3_1.F beta_4_3_2_1.F beta_3_5_1_1.F beta_1_4_6_2.F beta_1_3_8_1.F beta_3_7_6_1.F beta_3_7_4_5.F beta_1_2_1.F beta_1_1_3.F beta_3_7_1.F beta_3_6_3.F beta_3_4_7.F beta_1_1.F beta_1_4_6_3_1_1.F beta_1_2_2_1_1.F beta_1_3_6_1_1.F beta_3_2_2_4_1.F beta_3_4_10_8_1_1.F beta_3_7_8_1_1.F beta_3_7_6_4_1.F beta_2_1_1_2.F beta_1_2_2_1.F beta_1_1_3_2.F beta_4_3_2_2.F beta_3_4_3_1.F beta_3_2_6_1.F beta_3_4_10_5_1.F beta_1_4_6_3.F beta_3_7_6_2.F beta_2_1_1.F beta_1_2_2.F beta_3_7_2.F beta_3_6_4.F beta_3_4_8.F beta_1_2.F beta_1_3_1_1_1.F beta_1_1_3_2_1.F beta_1_4_5_1_1.F beta_1_4_3_4_1.F beta_3_2_9_2_1.F beta_2_1_2_1.F beta_1_3_1_1.F beta_4_3_3_1.F beta_3_4_3_2.F beta_3_4_13_1_1.F beta_3_7_7_1.F beta_3_7_6_3.F beta_1_3_1.F beta_2_1_2.F beta_1_2_3.F beta_3_7_3.F beta_3_6_5.F beta_3_4_9.F beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F beta_2_1_2_2.F beta_1_3_1_2.F beta_1_2_3_1.F beta_3_6_1_1.F beta_3_4_4_1.F beta_4_3_3_2.F beta_3_2_7_1.F beta_3_4_10_6_1.F beta_3_7_6_4.F beta_2_1_3.F beta_1_3_2.F beta_3_7_4.F beta_3_6_6.F beta_1_4.F beta_3_4_10.F beta_1_3_1_2_1.F beta_1_2_3_1_1.F beta_3_4_1_3_1.F beta_1_3_7_1_1.F beta_3_1_1_1.F beta_1_3_2_1.F beta_2_1_3_1.F beta_1_3_1_3.F beta_4_3_4_1.F beta_3_6_1_2.F beta_3_4_13_2_1.F beta_3_4_4_2.F beta_3_7_8_1.F beta_3_1_1.F beta_1_4_1.F beta_1_3_3.F beta_2_1_4.F beta_3_7_5.F beta_3_6_7.F beta_3_1.F beta_3_4_11.F beta_1_3_2_1_1.F beta_1_4_6_1_1.F beta_3_7_4_1_1.F beta_1_4_1_1.F beta_3_1_1_2.F beta_1_3_1_4.F beta_3_6_2_1.F beta_3_4_14_1_1.F beta_3_4_5_1.F beta_3_2_8_1.F beta_3_4_10_7_1.F beta_3_1_2.F beta_1_4_2.F beta_1_3_4.F beta_3_7_6.F beta_3_2.F beta_3_4_12.F beta_3_7_4_3_2_1.F beta_1_4_1_1_1.F beta_1_3_1_3_1.F beta_1_3_7_2_1.F beta_3_7_4_1_2.F beta_3_1_2_1.F beta_1_4_1_2.F beta_1_3_3_1.F beta_2_1_4_1.F beta_1_3_1_5.F beta_3_7_1_1.F beta_4_3_5_1.F beta_3_4_5_2.F beta_3_2_1.F beta_3_1_3.F beta_1_4_3.F beta_3_4_10_1.F beta_1_3_5.F beta_3_7_7.F beta_4_1.F beta_3_3.F beta_3_4_13.F beta_1_3_1_8_1_1.F beta_1_4_1_1_2.F beta_1_4_6_2_1.F beta_1_3_8_1_1.F beta_3_7_4_2_1.F beta_3_2_1_1.F beta_1_4_2_1.F beta_3_1_2_2.F beta_1_4_1_3.F beta_1_3_1_6.F beta_3_6_3_1.F beta_3_4_14_2_1.F beta_3_4_6_1.F beta_3_2_9_1.F beta_3_4_10_8_1.F beta_4_1_1.F beta_3_2_2.F beta_3_1_4.F beta_1_4_4.F beta_3_4_10_2.F beta_1_3_6.F beta_3_7_8.F beta_4_2.F beta_3_4.F beta_3_4_14.F converting beta_1_all.F to 32-bit integers for BLAS/LAPACK converting beta_2_all.F to 32-bit integers for BLAS/LAPACK converting beta_3_all.F to 32-bit integers for BLAS/LAPACK converting beta_4_all.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9.F to 32-bit integers for BLAS/LAPACK converting beta_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7.F to 32-bit integers for BLAS/LAPACK converting beta_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Making 64_to_32 in ccsd_yr make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_y_o1.F ccsd_y_o2.F ccsd_yr1.F ccsd_yr2.F ccsd_y_tr1.F ccsd_y_tr2.F alpha_2_yr.F ccsd_lr_d1_hh.F ccsd_lr_d1_ph.F ccsd_lr_d1_hp.F ccsd_lr_d1_pp.F converting ccsd_y_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_o2.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr2.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_yr.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_pp.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Making 64_to_32 in response make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' Making 64_to_32 in ccsdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdtq_e.F ccsdtq_t1.F ccsdtq_t2.F ccsdtq_t3_10.F ccsdtq_t3_11_1_2_2.F ccsdtq_t3_11_1_2.F ccsdtq_t3_11_1_3.F ccsdtq_t3_11_1_4.F ccsdtq_t3_11_1.F ccsdtq_t3_11_2_2.F ccsdtq_t3_11_2.F ccsdtq_t3_11_3_2.F ccsdtq_t3_11_3.F ccsdtq_t3_11_4.F ccsdtq_t3_11_5.F ccsdtq_t3_11_6_1.F ccsdtq_t3_11_6.F ccsdtq_t3_11.F ccsdtq_t3_12_1.F ccsdtq_t3_1_2_2_2.F ccsdtq_t3_1_2_2.F ccsdtq_t3_1_2_3.F ccsdtq_t3_1_2.F ccsdtq_t3_12.F ccsdtq_t3_1_3_2.F ccsdtq_t3_1_3.F ccsdtq_t3_1_4_2.F ccsdtq_t3_1_4.F ccsdtq_t3_1_5_2.F ccsdtq_t3_1_5.F ccsdtq_t3_1_6.F ccsdtq_t3_1_7.F ccsdtq_t3_1.F ccsdtq_t3_2_2.F ccsdtq_t3_2_3_2.F ccsdtq_t3_2_3.F ccsdtq_t3_2_4.F ccsdtq_t3_2_5.F ccsdtq_t3_2.F ccsdtq_t3_3_2_2.F ccsdtq_t3_3_2.F ccsdtq_t3_3_3.F ccsdtq_t3_3_4.F ccsdtq_t3_3.F ccsdtq_t3_4_2.F ccsdtq_t3_4_3.F ccsdtq_t3_4.F ccsdtq_t3_5_2_2.F ccsdtq_t3_5_2.F ccsdtq_t3_5_3.F ccsdtq_t3_5.F ccsdtq_t3_6_2.F ccsdtq_t3_6_3.F ccsdtq_t3_6.F ccsdtq_t3_7.F ccsdtq_t3_8_2.F ccsdtq_t3_8.F ccsdtq_t3_9_2.F ccsdtq_t3_9.F ccsdtq_t4_10_1_2.F ccsdtq_t4_10_1.F ccsdtq_t4_10_2_2.F ccsdtq_t4_10_2.F ccsdtq_t4_10_3.F ccsdtq_t4_10_4.F ccsdtq_t4_10.F ccsdtq_t4_11_1.F ccsdtq_t4_11.F ccsdtq_t4_12_1.F ccsdtq_t4_1_2_2_2.F ccsdtq_t4_1_2_2.F ccsdtq_t4_1_2_3.F ccsdtq_t4_1_2.F ccsdtq_t4_12.F ccsdtq_t4_13_1.F ccsdtq_t4_1_3_2.F ccsdtq_t4_1_3.F ccsdtq_t4_13.F ccsdtq_t4_1_4_2.F ccsdtq_t4_1_4.F ccsdtq_t4_1_5_2.F ccsdtq_t4_1_5.F ccsdtq_t4_1_6.F ccsdtq_t4_1_7.F ccsdtq_t4_1.F ccsdtq_t4_2_2.F ccsdtq_t4_2_3_2.F ccsdtq_t4_2_3.F ccsdtq_t4_2_4.F ccsdtq_t4_2_5.F ccsdtq_t4_2.F ccsdtq_t4_3_2_2.F ccsdtq_t4_3_2.F ccsdtq_t4_3_3.F ccsdtq_t4_3_4.F ccsdtq_t4_3.F ccsdtq_t4_4_2.F ccsdtq_t4_4_3.F ccsdtq_t4_4.F ccsdtq_t4_5_2_2.F ccsdtq_t4_5_2.F ccsdtq_t4_5_3.F ccsdtq_t4_5.F ccsdtq_t4_6_2.F ccsdtq_t4_6_3.F ccsdtq_t4_6.F ccsdtq_t4_7.F ccsdtq_t4_8_1_2_2.F ccsdtq_t4_8_1_2.F ccsdtq_t4_8_1_3.F ccsdtq_t4_8_1_4.F ccsdtq_t4_8_1.F ccsdtq_t4_8_2_2.F ccsdtq_t4_8_2.F ccsdtq_t4_8_3_2.F ccsdtq_t4_8_3.F ccsdtq_t4_8_4.F ccsdtq_t4_8_5_1.F ccsdtq_t4_8_5.F ccsdtq_t4_8_6_1_2.F ccsdtq_t4_8_6_1.F ccsdtq_t4_8_6_2.F ccsdtq_t4_8_6.F ccsdtq_t4_8.F ccsdtq_t4_9_1_2_2.F ccsdtq_t4_9_1_2.F ccsdtq_t4_9_1_3.F ccsdtq_t4_9_1.F ccsdtq_t4_9_2_2_2.F ccsdtq_t4_9_2_2.F ccsdtq_t4_9_2_3.F ccsdtq_t4_9_2_4.F ccsdtq_t4_9_2.F ccsdtq_t4_9_3_2.F ccsdtq_t4_9_3.F ccsdtq_t4_9_4_2.F ccsdtq_t4_9_4.F ccsdtq_t4_9_5_2.F ccsdtq_t4_9_5.F ccsdtq_t4_9_6.F ccsdtq_t4_9.F converting ccsdtq_e.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_6_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_t4_9.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' Making 64_to_32 in ccsdtq_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdtq_density1.F ccsdtq_lambda1_10_1.F ccsdtq_lambda1_10_2.F ccsdtq_lambda1_10_3.F ccsdtq_lambda1_10_4.F ccsdtq_lambda1_10.F ccsdtq_lambda1_11_1.F ccsdtq_lambda1_11_2.F ccsdtq_lambda1_11_3.F ccsdtq_lambda1_11_4.F ccsdtq_lambda1_11.F ccsdtq_lambda1_12_1.F ccsdtq_lambda1_12_2.F ccsdtq_lambda1_12_3.F ccsdtq_lambda1_12_4.F ccsdtq_lambda1_12.F ccsdtq_lambda1_13_1.F ccsdtq_lambda1_13_2.F ccsdtq_lambda1_13_3.F ccsdtq_lambda1_13.F ccsdtq_lambda1_14_10_1.F ccsdtq_lambda1_14_10_2.F ccsdtq_lambda1_14_10.F ccsdtq_lambda1_14_11_1.F ccsdtq_lambda1_14_11.F ccsdtq_lambda1_14_12_1_1.F ccsdtq_lambda1_14_12_1.F ccsdtq_lambda1_14_12_2_1.F ccsdtq_lambda1_14_12_2.F ccsdtq_lambda1_14_12.F ccsdtq_lambda1_14_13_1_1.F ccsdtq_lambda1_14_13_1.F ccsdtq_lambda1_14_13.F ccsdtq_lambda1_14_1.F ccsdtq_lambda1_14_2.F ccsdtq_lambda1_14_3.F ccsdtq_lambda1_14_4_1.F ccsdtq_lambda1_14_4_2.F ccsdtq_lambda1_14_4_3.F ccsdtq_lambda1_14_4_4_1.F ccsdtq_lambda1_14_4_4_2.F ccsdtq_lambda1_14_4_4_3.F ccsdtq_lambda1_14_4_4.F ccsdtq_lambda1_14_4_5_1.F ccsdtq_lambda1_14_4_5.F ccsdtq_lambda1_14_4.F ccsdtq_lambda1_14_5_1.F ccsdtq_lambda1_14_5.F ccsdtq_lambda1_14_6_1.F ccsdtq_lambda1_14_6_2.F ccsdtq_lambda1_14_6_3.F ccsdtq_lambda1_14_6.F ccsdtq_lambda1_14_7_1.F ccsdtq_lambda1_14_7_2.F ccsdtq_lambda1_14_7.F ccsdtq_lambda1_14_8_1.F ccsdtq_lambda1_14_8.F ccsdtq_lambda1_14_9_1.F ccsdtq_lambda1_14_9_2.F ccsdtq_lambda1_14_9.F ccsdtq_lambda1_14.F ccsdtq_lambda1_15_1.F ccsdtq_lambda1_15_2.F ccsdtq_lambda1_15_3.F ccsdtq_lambda1_15_4_1.F ccsdtq_lambda1_15_4.F ccsdtq_lambda1_15_5_1.F ccsdtq_lambda1_15_5_2.F ccsdtq_lambda1_15_5.F ccsdtq_lambda1_15_6_1.F ccsdtq_lambda1_15_6.F ccsdtq_lambda1_15.F ccsdtq_lambda1_16_1.F ccsdtq_lambda1_16_2.F ccsdtq_lambda1_16_3.F ccsdtq_lambda1_16_4_1.F ccsdtq_lambda1_16_4_2.F ccsdtq_lambda1_16_4_3.F ccsdtq_lambda1_16_4.F ccsdtq_lambda1_16_5_1.F ccsdtq_lambda1_16_5_2.F ccsdtq_lambda1_16_5.F ccsdtq_lambda1_16_6_1.F ccsdtq_lambda1_16_6.F ccsdtq_lambda1_16.F ccsdtq_lambda1_17_1.F ccsdtq_lambda1_17_2.F ccsdtq_lambda1_17.F ccsdtq_lambda1_18_1_2.F ccsdtq_lambda1_18_1_3.F ccsdtq_lambda1_18_1_4.F ccsdtq_lambda1_18_1.F ccsdtq_lambda1_18_2_2.F ccsdtq_lambda1_18_2.F ccsdtq_lambda1_18_3_2.F ccsdtq_lambda1_18_3.F ccsdtq_lambda1_18_4.F ccsdtq_lambda1_18_5.F ccsdtq_lambda1_18_6_1.F ccsdtq_lambda1_18_6.F ccsdtq_lambda1_18_7_1_1.F ccsdtq_lambda1_18_7_1.F ccsdtq_lambda1_18_7.F ccsdtq_lambda1_18.F ccsdtq_lambda1_19_1.F ccsdtq_lambda1_19_2.F ccsdtq_lambda1_19.F ccsdtq_lambda1_20_10.F ccsdtq_lambda1_20_11_1.F ccsdtq_lambda1_20_11_2.F ccsdtq_lambda1_20_11_3.F ccsdtq_lambda1_20_11.F ccsdtq_lambda1_20_12_1.F ccsdtq_lambda1_20_1_2_2.F ccsdtq_lambda1_20_12_2.F ccsdtq_lambda1_20_12_3.F ccsdtq_lambda1_20_1_2.F ccsdtq_lambda1_20_12.F ccsdtq_lambda1_20_13_1.F ccsdtq_lambda1_20_1_3.F ccsdtq_lambda1_20_13.F ccsdtq_lambda1_20_14_1.F ccsdtq_lambda1_20_1_4_3.F ccsdtq_lambda1_20_1_4.F ccsdtq_lambda1_20_14.F ccsdtq_lambda1_20_15_1_3.F ccsdtq_lambda1_20_15_1.F ccsdtq_lambda1_20_15_2.F ccsdtq_lambda1_20_15_3_1_1.F ccsdtq_lambda1_20_15_3_1.F ccsdtq_lambda1_20_15_3.F ccsdtq_lambda1_20_1_5.F ccsdtq_lambda1_20_15.F ccsdtq_lambda1_20_16_1.F ccsdtq_lambda1_20_16_2_1_1.F ccsdtq_lambda1_20_16_2_1.F ccsdtq_lambda1_20_16_2.F ccsdtq_lambda1_20_16.F ccsdtq_lambda1_20_17_1.F ccsdtq_lambda1_20_17.F ccsdtq_lambda1_20_18_1_1.F ccsdtq_lambda1_20_18_1.F ccsdtq_lambda1_20_18.F ccsdtq_lambda1_20_19_1_1.F ccsdtq_lambda1_20_19_1.F ccsdtq_lambda1_20_19.F ccsdtq_lambda1_20_1.F ccsdtq_lambda1_20_20_1_1.F ccsdtq_lambda1_20_20_1.F ccsdtq_lambda1_20_20.F ccsdtq_lambda1_20_21_1_1.F ccsdtq_lambda1_20_21_1.F ccsdtq_lambda1_20_21.F ccsdtq_lambda1_20_22_1_1.F ccsdtq_lambda1_20_22_1.F ccsdtq_lambda1_20_2_2.F ccsdtq_lambda1_20_22.F ccsdtq_lambda1_20_23_1_1.F ccsdtq_lambda1_20_23_1.F ccsdtq_lambda1_20_2_3.F ccsdtq_lambda1_20_23.F ccsdtq_lambda1_20_24_1_1.F ccsdtq_lambda1_20_24_1.F ccsdtq_lambda1_20_2_4_2.F ccsdtq_lambda1_20_2_4.F ccsdtq_lambda1_20_24.F ccsdtq_lambda1_20_2_5.F ccsdtq_lambda1_20_2_6_1.F ccsdtq_lambda1_20_2_6.F ccsdtq_lambda1_20_2.F ccsdtq_lambda1_20_3_2_1.F ccsdtq_lambda1_20_3_2.F ccsdtq_lambda1_20_3.F ccsdtq_lambda1_20_4_2_1.F ccsdtq_lambda1_20_4_2.F ccsdtq_lambda1_20_4.F ccsdtq_lambda1_20_5_2.F ccsdtq_lambda1_20_5_3.F ccsdtq_lambda1_20_5.F ccsdtq_lambda1_20_6_2.F ccsdtq_lambda1_20_6_3.F ccsdtq_lambda1_20_6_4.F ccsdtq_lambda1_20_6.F ccsdtq_lambda1_20_7.F ccsdtq_lambda1_20_8_2.F ccsdtq_lambda1_20_8.F ccsdtq_lambda1_20_9_2.F ccsdtq_lambda1_20_9.F ccsdtq_lambda1_20.F ccsdtq_lambda1_21_1_2.F ccsdtq_lambda1_21_1_3.F ccsdtq_lambda1_21_1_4.F ccsdtq_lambda1_21_1.F ccsdtq_lambda1_21_2_2.F ccsdtq_lambda1_21_2.F ccsdtq_lambda1_21_3_2.F ccsdtq_lambda1_21_3.F ccsdtq_lambda1_21_4.F ccsdtq_lambda1_21_5_1.F ccsdtq_lambda1_21_5.F ccsdtq_lambda1_21_6_1_4.F ccsdtq_lambda1_21_6_1.F ccsdtq_lambda1_21_6.F ccsdtq_lambda1_21_7_1.F ccsdtq_lambda1_21_7.F ccsdtq_lambda1_21_8_1_1.F ccsdtq_lambda1_21_8_1.F ccsdtq_lambda1_21_8.F ccsdtq_lambda1_21.F ccsdtq_lambda1_22_1_1.F ccsdtq_lambda1_22_1_2.F ccsdtq_lambda1_22_1.F ccsdtq_lambda1_22_2_1.F ccsdtq_lambda1_2_2_2.F ccsdtq_lambda1_22_2.F ccsdtq_lambda1_2_2.F ccsdtq_lambda1_22.F ccsdtq_lambda1_23_1_1.F 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ccsdtq_lambda1_8_7_3.F ccsdtq_lambda1_8_7.F ccsdtq_lambda1_8_8.F ccsdtq_lambda1_8_9_2.F ccsdtq_lambda1_8_9.F ccsdtq_lambda1_8.F ccsdtq_lambda1_9_2.F ccsdtq_lambda1_9_3.F ccsdtq_lambda1_9_4.F ccsdtq_lambda1_9_5_1.F ccsdtq_lambda1_9_5_2.F ccsdtq_lambda1_9_5_3.F ccsdtq_lambda1_9_5_4.F ccsdtq_lambda1_9_5.F ccsdtq_lambda1_9_6_1.F ccsdtq_lambda1_9_6_2.F ccsdtq_lambda1_9_6_3.F ccsdtq_lambda1_9_6.F ccsdtq_lambda1_9_7_1.F ccsdtq_lambda1_9_7_2.F ccsdtq_lambda1_9_7.F ccsdtq_lambda1_9_8_1.F ccsdtq_lambda1_9_8.F ccsdtq_lambda1_9.F ccsdtq_lambda2_10_2_2_2.F ccsdtq_lambda2_10_2_2.F ccsdtq_lambda2_10_2_3.F ccsdtq_lambda2_10_2_4.F ccsdtq_lambda2_10_2.F ccsdtq_lambda2_10_3_2.F ccsdtq_lambda2_10_3_3.F ccsdtq_lambda2_10_3.F ccsdtq_lambda2_10_4.F ccsdtq_lambda2_10_5_2.F ccsdtq_lambda2_10_5.F ccsdtq_lambda2_10_6.F ccsdtq_lambda2_10_7.F ccsdtq_lambda2_10_8.F ccsdtq_lambda2_10.F ccsdtq_lambda2_11_2_2_2.F ccsdtq_lambda2_11_2_2.F ccsdtq_lambda2_11_2_3.F ccsdtq_lambda2_11_2.F ccsdtq_lambda2_11_3_2.F ccsdtq_lambda2_11_3.F ccsdtq_lambda2_11_4_2.F ccsdtq_lambda2_11_4.F ccsdtq_lambda2_11_5_2.F ccsdtq_lambda2_11_5.F ccsdtq_lambda2_11_6.F ccsdtq_lambda2_11_7.F ccsdtq_lambda2_11.F ccsdtq_lambda2_12_2.F ccsdtq_lambda2_12_3_2.F ccsdtq_lambda2_12_3.F ccsdtq_lambda2_12_4.F ccsdtq_lambda2_12_5.F ccsdtq_lambda2_12_6_1.F ccsdtq_lambda2_12_6.F ccsdtq_lambda2_12_7_1.F ccsdtq_lambda2_12_7.F ccsdtq_lambda2_12.F ccsdtq_lambda2_13_10_2.F ccsdtq_lambda2_13_10.F ccsdtq_lambda2_13_11.F ccsdtq_lambda2_13_12.F ccsdtq_lambda2_13_13_1.F ccsdtq_lambda2_13_13_2.F ccsdtq_lambda2_13_13_3.F ccsdtq_lambda2_13_13.F ccsdtq_lambda2_13_14_1.F ccsdtq_lambda2_13_14_2.F ccsdtq_lambda2_13_14_3.F ccsdtq_lambda2_13_14.F ccsdtq_lambda2_13_15_1.F ccsdtq_lambda2_13_15_2.F ccsdtq_lambda2_13_15.F ccsdtq_lambda2_13_2_2_2_2.F ccsdtq_lambda2_13_2_2_2.F ccsdtq_lambda2_13_2_2_3.F ccsdtq_lambda2_13_2_2.F ccsdtq_lambda2_13_2_3_2.F ccsdtq_lambda2_13_2_3.F ccsdtq_lambda2_13_2_4.F ccsdtq_lambda2_13_2_5_1.F ccsdtq_lambda2_13_2_5.F ccsdtq_lambda2_13_2.F ccsdtq_lambda2_13_3_2.F ccsdtq_lambda2_13_3.F ccsdtq_lambda2_13_4_2_1.F ccsdtq_lambda2_13_4_2.F ccsdtq_lambda2_13_4.F ccsdtq_lambda2_13_5_2_1.F ccsdtq_lambda2_13_5_2.F ccsdtq_lambda2_13_5.F ccsdtq_lambda2_13_6_2_2.F ccsdtq_lambda2_13_6_2.F ccsdtq_lambda2_13_6_3.F ccsdtq_lambda2_13_6.F ccsdtq_lambda2_13_7_2.F ccsdtq_lambda2_13_7_3.F ccsdtq_lambda2_13_7.F ccsdtq_lambda2_13_8.F ccsdtq_lambda2_13_9_2.F ccsdtq_lambda2_13_9.F ccsdtq_lambda2_13.F ccsdtq_lambda2_14_1.F ccsdtq_lambda2_14_2.F ccsdtq_lambda2_14_3.F ccsdtq_lambda2_14_4.F ccsdtq_lambda2_14.F ccsdtq_lambda2_15_1.F ccsdtq_lambda2_15_2.F ccsdtq_lambda2_15_3.F ccsdtq_lambda2_15.F ccsdtq_lambda2_16_1.F ccsdtq_lambda2_16_2.F ccsdtq_lambda2_16_3.F ccsdtq_lambda2_16.F ccsdtq_lambda2_17_1.F ccsdtq_lambda2_17_2.F ccsdtq_lambda2_17_3.F ccsdtq_lambda2_17.F ccsdtq_lambda2_18_1.F ccsdtq_lambda2_18_2.F ccsdtq_lambda2_18.F ccsdtq_lambda2_19_1.F ccsdtq_lambda2_19_2.F ccsdtq_lambda2_19_3.F ccsdtq_lambda2_19.F ccsdtq_lambda2_20_1.F ccsdtq_lambda2_20_2.F ccsdtq_lambda2_20_3.F ccsdtq_lambda2_20_4_1.F ccsdtq_lambda2_20_4.F ccsdtq_lambda2_20_5_1.F ccsdtq_lambda2_20_5_2.F ccsdtq_lambda2_20_5.F ccsdtq_lambda2_20_6_1.F ccsdtq_lambda2_20_6.F ccsdtq_lambda2_20.F ccsdtq_lambda2_21_1.F ccsdtq_lambda2_21_2.F ccsdtq_lambda2_21.F ccsdtq_lambda2_22_1.F ccsdtq_lambda2_22_2.F ccsdtq_lambda2_2_2.F ccsdtq_lambda2_22.F ccsdtq_lambda2_23_1_2.F ccsdtq_lambda2_23_1_3.F ccsdtq_lambda2_23_1.F ccsdtq_lambda2_23_2_2.F ccsdtq_lambda2_23_2_3.F ccsdtq_lambda2_23_2_4.F ccsdtq_lambda2_23_2.F ccsdtq_lambda2_23_3_2.F ccsdtq_lambda2_23_3.F ccsdtq_lambda2_23_4_2.F ccsdtq_lambda2_23_4.F ccsdtq_lambda2_23_5_2.F ccsdtq_lambda2_23_5.F ccsdtq_lambda2_23_6.F ccsdtq_lambda2_23_7_1_1.F ccsdtq_lambda2_23_7_1.F ccsdtq_lambda2_23_7.F ccsdtq_lambda2_23_8_1_1.F ccsdtq_lambda2_23_8_1.F ccsdtq_lambda2_23_8.F ccsdtq_lambda2_23.F ccsdtq_lambda2_24_1_2.F ccsdtq_lambda2_24_1.F ccsdtq_lambda2_24_2_2.F ccsdtq_lambda2_24_2.F ccsdtq_lambda2_24_3_2.F ccsdtq_lambda2_24_3.F ccsdtq_lambda2_24_4.F ccsdtq_lambda2_24.F ccsdtq_lambda2_25_1.F ccsdtq_lambda2_25.F ccsdtq_lambda2_26_1.F ccsdtq_lambda2_26_2.F ccsdtq_lambda2_26_3_1.F ccsdtq_lambda2_26_3_2.F ccsdtq_lambda2_26_3_3.F ccsdtq_lambda2_26_3.F ccsdtq_lambda2_26_4_1.F ccsdtq_lambda2_26_4_2.F ccsdtq_lambda2_26_4.F ccsdtq_lambda2_26_5_1.F ccsdtq_lambda2_26_5.F ccsdtq_lambda2_26.F ccsdtq_lambda2_27_1.F ccsdtq_lambda2_27.F ccsdtq_lambda2_28_1_1.F ccsdtq_lambda2_28_1.F ccsdtq_lambda2_28_2_1.F ccsdtq_lambda2_28_2.F ccsdtq_lambda2_28.F ccsdtq_lambda2_29_1_1.F ccsdtq_lambda2_29_1_2.F ccsdtq_lambda2_29_1.F ccsdtq_lambda2_29_2_1.F ccsdtq_lambda2_29_2.F ccsdtq_lambda2_29.F ccsdtq_lambda2_2.F ccsdtq_lambda2_30_1_1.F ccsdtq_lambda2_30_1_2.F ccsdtq_lambda2_30_1.F ccsdtq_lambda2_30_2_1.F ccsdtq_lambda2_30_2.F ccsdtq_lambda2_30_3_1_1.F ccsdtq_lambda2_30_3_1_2.F ccsdtq_lambda2_30_3_1.F ccsdtq_lambda2_30_3.F ccsdtq_lambda2_30_4_1_1.F ccsdtq_lambda2_30_4_1.F ccsdtq_lambda2_30_4.F ccsdtq_lambda2_30.F ccsdtq_lambda2_31_1_1.F ccsdtq_lambda2_31_1.F ccsdtq_lambda2_31_2_1.F ccsdtq_lambda2_31_2.F ccsdtq_lambda2_31.F ccsdtq_lambda2_3_2.F ccsdtq_lambda2_3.F ccsdtq_lambda2_4.F ccsdtq_lambda2_5_2_2.F ccsdtq_lambda2_5_2.F ccsdtq_lambda2_5_3.F ccsdtq_lambda2_5_4.F ccsdtq_lambda2_5.F ccsdtq_lambda2_6_2.F ccsdtq_lambda2_6_3.F ccsdtq_lambda2_6_4_1.F ccsdtq_lambda2_6_4.F ccsdtq_lambda2_6.F ccsdtq_lambda2_7_2_2.F ccsdtq_lambda2_7_2.F ccsdtq_lambda2_7_3.F ccsdtq_lambda2_7.F ccsdtq_lambda2_8_2.F ccsdtq_lambda2_8_3.F ccsdtq_lambda2_8.F ccsdtq_lambda2_9.F ccsdtq_lambda3_10_2_2_2.F ccsdtq_lambda3_10_2_2.F ccsdtq_lambda3_10_2_3.F ccsdtq_lambda3_10_2_4.F ccsdtq_lambda3_10_2.F ccsdtq_lambda3_10_3_2.F ccsdtq_lambda3_10_3_3.F ccsdtq_lambda3_10_3.F ccsdtq_lambda3_10_4.F ccsdtq_lambda3_10_5_2.F ccsdtq_lambda3_10_5.F ccsdtq_lambda3_10_6.F ccsdtq_lambda3_10_7.F ccsdtq_lambda3_10_8.F ccsdtq_lambda3_10.F ccsdtq_lambda3_11_2_2_2.F ccsdtq_lambda3_11_2_2.F ccsdtq_lambda3_11_2_3.F ccsdtq_lambda3_11_2.F ccsdtq_lambda3_11_3_2.F ccsdtq_lambda3_11_3.F ccsdtq_lambda3_11_4_2.F ccsdtq_lambda3_11_4.F ccsdtq_lambda3_11_5_2.F ccsdtq_lambda3_11_5.F ccsdtq_lambda3_11_6.F ccsdtq_lambda3_11_7.F ccsdtq_lambda3_11.F ccsdtq_lambda3_12_2.F ccsdtq_lambda3_12_3_2.F ccsdtq_lambda3_12_3.F ccsdtq_lambda3_12_4.F ccsdtq_lambda3_12_5.F ccsdtq_lambda3_12_6_1.F ccsdtq_lambda3_12_6.F ccsdtq_lambda3_12_7_1.F ccsdtq_lambda3_12_7.F ccsdtq_lambda3_12.F ccsdtq_lambda3_13_1.F ccsdtq_lambda3_13_2.F ccsdtq_lambda3_13_3.F ccsdtq_lambda3_13.F ccsdtq_lambda3_14_1.F ccsdtq_lambda3_14_2.F ccsdtq_lambda3_14.F ccsdtq_lambda3_15_1.F ccsdtq_lambda3_15_2.F ccsdtq_lambda3_15.F ccsdtq_lambda3_16_1.F ccsdtq_lambda3_16_2.F ccsdtq_lambda3_16.F ccsdtq_lambda3_17_1.F ccsdtq_lambda3_17.F ccsdtq_lambda3_18_1.F ccsdtq_lambda3_18_2.F ccsdtq_lambda3_18.F ccsdtq_lambda3_19_1.F ccsdtq_lambda3_19_2.F ccsdtq_lambda3_19_3_1.F ccsdtq_lambda3_19_3.F ccsdtq_lambda3_19_4_1.F ccsdtq_lambda3_19_4.F ccsdtq_lambda3_19.F ccsdtq_lambda3_1.F ccsdtq_lambda3_20_1.F ccsdtq_lambda3_20.F ccsdtq_lambda3_21_1.F ccsdtq_lambda3_21.F ccsdtq_lambda3_22_1.F ccsdtq_lambda3_2_2.F ccsdtq_lambda3_22.F ccsdtq_lambda3_23_1.F ccsdtq_lambda3_23.F ccsdtq_lambda3_24_1_1.F ccsdtq_lambda3_24_1.F ccsdtq_lambda3_24.F ccsdtq_lambda3_25_1_1.F ccsdtq_lambda3_25_1.F ccsdtq_lambda3_25.F ccsdtq_lambda3_26_1_1.F ccsdtq_lambda3_26_1.F ccsdtq_lambda3_26_2_1.F ccsdtq_lambda3_26_2.F ccsdtq_lambda3_26.F ccsdtq_lambda3_27_1_1.F ccsdtq_lambda3_27_1.F ccsdtq_lambda3_27_2_1_1.F ccsdtq_lambda3_27_2_1.F ccsdtq_lambda3_27_2.F ccsdtq_lambda3_27.F ccsdtq_lambda3_2.F ccsdtq_lambda3_3_2.F ccsdtq_lambda3_3.F ccsdtq_lambda3_4.F ccsdtq_lambda3_5_2_2.F ccsdtq_lambda3_5_2.F ccsdtq_lambda3_5_3.F ccsdtq_lambda3_5_4.F ccsdtq_lambda3_5.F ccsdtq_lambda3_6_2.F ccsdtq_lambda3_6_3.F ccsdtq_lambda3_6_4_1.F ccsdtq_lambda3_6_4.F ccsdtq_lambda3_6.F ccsdtq_lambda3_7_2_2.F ccsdtq_lambda3_7_2.F ccsdtq_lambda3_7_3.F ccsdtq_lambda3_7.F ccsdtq_lambda3_8_2.F ccsdtq_lambda3_8_3.F ccsdtq_lambda3_8_4_1.F ccsdtq_lambda3_8_4.F ccsdtq_lambda3_8.F ccsdtq_lambda3_9.F ccsdtq_lambda4.F converting ccsdtq_density1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_16_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_24.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_6_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_17_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_7_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_8_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_24.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_25.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_26.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_27.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_28_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_28_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_28_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_28_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_28.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_29.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_30.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_31_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_31_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_31_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_31_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_31.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_24.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_25.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_26.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_27.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_8_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lambda4.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' Making 64_to_32 in eomccsdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 eomccsdtq_denominator.F eomccsdtq_density1_1_1.F eomccsdtq_density1_1_2.F eomccsdtq_density1_1_3.F eomccsdtq_density1_1_4.F eomccsdtq_density1_1.F eomccsdtq_density1_2_1.F eomccsdtq_density1_2_2_1.F eomccsdtq_density1_2_2.F eomccsdtq_density1_2.F eomccsdtq_density1_3_1.F eomccsdtq_density1_3_2.F eomccsdtq_density1_3_3.F eomccsdtq_density1_3_4.F eomccsdtq_density1_3_5_1.F eomccsdtq_density1_3_5_2.F eomccsdtq_density1_3_5_3.F eomccsdtq_density1_3_5_4.F eomccsdtq_density1_3_5.F eomccsdtq_density1_3_6_1.F eomccsdtq_density1_3_6_2.F eomccsdtq_density1_3_6_3.F eomccsdtq_density1_3_6.F eomccsdtq_density1_3_7_1.F eomccsdtq_density1_3_7_2.F eomccsdtq_density1_3_7.F eomccsdtq_density1_3_8_1.F eomccsdtq_density1_3_8.F eomccsdtq_density1_3.F eomccsdtq_density1_4_1.F eomccsdtq_density1_4_2_1.F eomccsdtq_density1_4_2.F eomccsdtq_density1_4.F eomccsdtq_density1_5_10_1.F eomccsdtq_density1_5_10_2.F eomccsdtq_density1_5_10_3.F eomccsdtq_density1_5_10_4.F eomccsdtq_density1_5_10.F eomccsdtq_density1_5_11_1.F eomccsdtq_density1_5_11_2.F eomccsdtq_density1_5_11_3.F eomccsdtq_density1_5_11_4_1.F eomccsdtq_density1_5_11_4.F eomccsdtq_density1_5_11.F eomccsdtq_density1_5_12_1.F eomccsdtq_density1_5_12_2.F eomccsdtq_density1_5_12_3_1.F eomccsdtq_density1_5_12_3_2.F eomccsdtq_density1_5_12_3_3.F eomccsdtq_density1_5_12_3.F eomccsdtq_density1_5_12_4_1.F eomccsdtq_density1_5_12_4_2.F eomccsdtq_density1_5_12_4.F eomccsdtq_density1_5_12_5_1.F eomccsdtq_density1_5_12_5.F eomccsdtq_density1_5_12.F eomccsdtq_density1_5_13_1.F eomccsdtq_density1_5_13_2.F eomccsdtq_density1_5_13.F eomccsdtq_density1_5_14_1.F eomccsdtq_density1_5_14_2.F eomccsdtq_density1_5_14.F eomccsdtq_density1_5_15_1.F eomccsdtq_density1_5_15.F eomccsdtq_density1_5_16_1.F eomccsdtq_density1_5_16.F eomccsdtq_density1_5_17_1_1.F eomccsdtq_density1_5_17_1_2.F eomccsdtq_density1_5_17_1.F eomccsdtq_density1_5_17_2_1.F eomccsdtq_density1_5_17_2.F eomccsdtq_density1_5_17.F eomccsdtq_density1_5_1.F eomccsdtq_density1_5_2.F eomccsdtq_density1_5_3.F eomccsdtq_density1_5_4_1.F eomccsdtq_density1_5_4_2.F eomccsdtq_density1_5_4_3.F eomccsdtq_density1_5_4_4.F eomccsdtq_density1_5_4_5_1.F eomccsdtq_density1_5_4_5_2.F eomccsdtq_density1_5_4_5_3.F eomccsdtq_density1_5_4_5_4.F eomccsdtq_density1_5_4_5.F eomccsdtq_density1_5_4_6_1.F eomccsdtq_density1_5_4_6_2.F eomccsdtq_density1_5_4_6_3.F eomccsdtq_density1_5_4_6.F eomccsdtq_density1_5_4_7_1.F eomccsdtq_density1_5_4_7_2.F eomccsdtq_density1_5_4_7.F eomccsdtq_density1_5_4_8_1.F eomccsdtq_density1_5_4_8.F eomccsdtq_density1_5_4.F eomccsdtq_density1_5_5_1.F eomccsdtq_density1_5_5_2.F eomccsdtq_density1_5_5_3.F eomccsdtq_density1_5_5_4.F eomccsdtq_density1_5_5.F eomccsdtq_density1_5_6_1.F eomccsdtq_density1_5_6_2.F eomccsdtq_density1_5_6_3.F eomccsdtq_density1_5_6_4.F eomccsdtq_density1_5_6.F eomccsdtq_density1_5_7_1.F eomccsdtq_density1_5_7_2.F eomccsdtq_density1_5_7_3.F eomccsdtq_density1_5_7.F eomccsdtq_density1_5_8_1.F eomccsdtq_density1_5_8_2.F eomccsdtq_density1_5_8.F eomccsdtq_density1_5_9_1.F eomccsdtq_density1_5_9.F eomccsdtq_density1_5.F eomccsdtq_density1_6_1.F eomccsdtq_density1_6_2.F eomccsdtq_density1_6_3.F eomccsdtq_density1_6_4_1.F eomccsdtq_density1_6_4_2.F eomccsdtq_density1_6_4_3.F eomccsdtq_density1_6_4.F eomccsdtq_density1_6_5_1.F eomccsdtq_density1_6_5_2.F eomccsdtq_density1_6_5_3.F eomccsdtq_density1_6_5.F eomccsdtq_density1_6_6_1.F eomccsdtq_density1_6_6_2.F eomccsdtq_density1_6_6.F eomccsdtq_density1_6_7_1.F eomccsdtq_density1_6_7.F eomccsdtq_density1_6.F eomccsdtq_x1.F eomccsdtq_x2_10.F eomccsdtq_x2_11.F eomccsdtq_x2_12_10_1.F eomccsdtq_x2_12_10.F eomccsdtq_x2_12_1_2_2.F eomccsdtq_x2_12_1_2.F eomccsdtq_x2_12_1_3.F eomccsdtq_x2_12_1.F eomccsdtq_x2_1_2_2.F eomccsdtq_x2_12_2.F eomccsdtq_x2_12_3_2.F eomccsdtq_x2_12_3.F eomccsdtq_x2_12_4_2.F eomccsdtq_x2_12_4.F eomccsdtq_x2_12_5.F eomccsdtq_x2_12_6.F eomccsdtq_x2_12_7_1.F eomccsdtq_x2_12_7_2.F eomccsdtq_x2_12_7_3_1.F eomccsdtq_x2_12_7_3.F eomccsdtq_x2_12_7.F eomccsdtq_x2_12_8_1.F eomccsdtq_x2_12_8.F eomccsdtq_x2_12_9_1.F eomccsdtq_x2_12_9.F eomccsdtq_x2_1_2.F eomccsdtq_x2_12.F eomccsdtq_x2_13_1.F eomccsdtq_x2_1_3_2.F eomccsdtq_x2_1_3.F eomccsdtq_x2_13.F eomccsdtq_x2_14_1_2.F eomccsdtq_x2_14_1.F eomccsdtq_x2_1_4_2.F eomccsdtq_x2_14_2.F eomccsdtq_x2_14_3.F eomccsdtq_x2_14_4_1.F eomccsdtq_x2_14_4.F eomccsdtq_x2_1_4.F eomccsdtq_x2_14.F eomccsdtq_x2_15_1.F eomccsdtq_x2_15_2.F eomccsdtq_x2_15_3_1.F eomccsdtq_x2_15_3.F eomccsdtq_x2_1_5.F eomccsdtq_x2_15.F eomccsdtq_x2_16_1.F eomccsdtq_x2_16_2.F eomccsdtq_x2_1_6.F eomccsdtq_x2_16.F eomccsdtq_x2_17_1.F eomccsdtq_x2_17_2.F eomccsdtq_x2_17.F eomccsdtq_x2_18_1.F eomccsdtq_x2_18.F eomccsdtq_x2_19_1.F eomccsdtq_x2_19.F eomccsdtq_x2_1.F eomccsdtq_x2_2.F eomccsdtq_x2_3_2_2.F eomccsdtq_x2_3_2.F eomccsdtq_x2_3_3.F eomccsdtq_x2_3_4.F eomccsdtq_x2_3.F eomccsdtq_x2_4_2.F eomccsdtq_x2_4_3.F eomccsdtq_x2_4.F eomccsdtq_x2_5_2_2.F eomccsdtq_x2_5_2.F eomccsdtq_x2_5_3.F eomccsdtq_x2_5.F eomccsdtq_x2_6_2.F eomccsdtq_x2_6.F eomccsdtq_x2_7.F eomccsdtq_x2_8_2.F eomccsdtq_x2_8.F eomccsdtq_x2_9_2.F eomccsdtq_x2_9.F eomccsdtq_x3_10.F eomccsdtq_x3_11_10_1.F eomccsdtq_x3_11_10.F eomccsdtq_x3_11_1_2_2.F eomccsdtq_x3_11_1_2.F eomccsdtq_x3_11_1_3.F eomccsdtq_x3_11_1_4.F eomccsdtq_x3_11_1.F eomccsdtq_x3_11_2_2.F eomccsdtq_x3_11_2.F eomccsdtq_x3_11_3_2.F eomccsdtq_x3_11_3.F eomccsdtq_x3_11_4.F eomccsdtq_x3_11_5.F eomccsdtq_x3_11_6_1.F eomccsdtq_x3_11_6.F eomccsdtq_x3_11_7_1.F eomccsdtq_x3_11_7_2.F eomccsdtq_x3_11_7_3_1.F eomccsdtq_x3_11_7_3.F eomccsdtq_x3_11_7_4_1.F eomccsdtq_x3_11_7_4.F eomccsdtq_x3_11_7.F eomccsdtq_x3_11_8_1.F eomccsdtq_x3_11_8.F eomccsdtq_x3_11_9_1.F eomccsdtq_x3_11_9.F eomccsdtq_x3_11.F eomccsdtq_x3_12_10_1.F eomccsdtq_x3_12_10.F eomccsdtq_x3_12_1_2_2.F eomccsdtq_x3_12_1_2.F eomccsdtq_x3_12_1_3.F eomccsdtq_x3_12_1.F eomccsdtq_x3_1_2_2_2.F eomccsdtq_x3_1_2_2.F eomccsdtq_x3_12_2.F eomccsdtq_x3_12_3_2.F eomccsdtq_x3_1_2_3.F eomccsdtq_x3_12_3.F eomccsdtq_x3_12_4_2.F eomccsdtq_x3_12_4.F eomccsdtq_x3_12_5.F eomccsdtq_x3_12_6.F eomccsdtq_x3_12_7_1.F eomccsdtq_x3_12_7_2.F eomccsdtq_x3_12_7_3_1.F eomccsdtq_x3_12_7_3.F eomccsdtq_x3_12_7.F eomccsdtq_x3_12_8_1.F eomccsdtq_x3_12_8.F eomccsdtq_x3_12_9_1.F eomccsdtq_x3_12_9.F eomccsdtq_x3_1_2.F eomccsdtq_x3_12.F eomccsdtq_x3_13_1_2.F eomccsdtq_x3_13_1_3.F eomccsdtq_x3_13_1_4.F eomccsdtq_x3_13_1.F eomccsdtq_x3_13_2_2.F eomccsdtq_x3_1_3_2.F eomccsdtq_x3_13_2.F eomccsdtq_x3_13_3_2.F eomccsdtq_x3_13_3.F eomccsdtq_x3_13_4.F eomccsdtq_x3_13_5.F eomccsdtq_x3_1_3.F eomccsdtq_x3_13.F eomccsdtq_x3_14_1.F eomccsdtq_x3_14_2_2.F eomccsdtq_x3_1_4_2.F eomccsdtq_x3_14_2.F eomccsdtq_x3_14_3.F eomccsdtq_x3_14_4.F eomccsdtq_x3_14_5_1.F eomccsdtq_x3_14_5.F eomccsdtq_x3_1_4.F eomccsdtq_x3_14.F eomccsdtq_x3_15_1.F eomccsdtq_x3_1_5_2.F eomccsdtq_x3_1_5.F eomccsdtq_x3_15.F eomccsdtq_x3_16_1_2.F eomccsdtq_x3_16_1.F eomccsdtq_x3_16_2.F eomccsdtq_x3_16_3.F eomccsdtq_x3_16_4_1.F eomccsdtq_x3_16_4.F eomccsdtq_x3_1_6.F eomccsdtq_x3_16.F eomccsdtq_x3_17_1.F eomccsdtq_x3_17_2.F eomccsdtq_x3_17_3_1.F eomccsdtq_x3_17_3.F eomccsdtq_x3_1_7.F eomccsdtq_x3_17.F eomccsdtq_x3_18_1.F eomccsdtq_x3_18_2.F eomccsdtq_x3_18.F eomccsdtq_x3_19_1.F eomccsdtq_x3_19_2.F eomccsdtq_x3_19.F eomccsdtq_x3_1.F eomccsdtq_x3_20_1.F eomccsdtq_x3_20.F eomccsdtq_x3_21_1.F eomccsdtq_x3_21.F eomccsdtq_x3_22_1.F eomccsdtq_x3_2_2.F eomccsdtq_x3_22.F eomccsdtq_x3_2_3_2.F eomccsdtq_x3_2_3.F eomccsdtq_x3_2_4.F eomccsdtq_x3_2_5.F eomccsdtq_x3_2.F eomccsdtq_x3_3_2_2.F eomccsdtq_x3_3_2.F eomccsdtq_x3_3_3.F eomccsdtq_x3_3_4.F eomccsdtq_x3_3.F eomccsdtq_x3_4_2.F eomccsdtq_x3_4_3.F eomccsdtq_x3_4.F eomccsdtq_x3_5_2_2.F eomccsdtq_x3_5_2.F eomccsdtq_x3_5_3.F eomccsdtq_x3_5.F eomccsdtq_x3_6_2.F eomccsdtq_x3_6_3.F eomccsdtq_x3_6.F eomccsdtq_x3_7.F eomccsdtq_x3_8_2.F eomccsdtq_x3_8.F eomccsdtq_x3_9_2.F eomccsdtq_x3_9.F eomccsdtq_x4_10_1_2_2.F eomccsdtq_x4_10_1_2.F eomccsdtq_x4_10_1_3.F eomccsdtq_x4_10_1_4.F eomccsdtq_x4_10_1.F eomccsdtq_x4_10_2_2.F eomccsdtq_x4_10_2.F eomccsdtq_x4_10_3_2.F eomccsdtq_x4_10_3.F eomccsdtq_x4_10_4_2.F eomccsdtq_x4_10_4.F eomccsdtq_x4_10_5.F eomccsdtq_x4_10.F eomccsdtq_x4_11_1_2.F eomccsdtq_x4_11_1.F eomccsdtq_x4_11_2_2.F eomccsdtq_x4_11_2.F eomccsdtq_x4_11_3.F eomccsdtq_x4_11_4.F eomccsdtq_x4_11_5_1.F eomccsdtq_x4_11_5.F eomccsdtq_x4_11_6_1.F 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eomccsdtq_y1_7_2_2_2.F eomccsdtq_y1_7_2_2_3.F eomccsdtq_y1_7_2_2.F eomccsdtq_y1_7_2_3_2.F eomccsdtq_y1_7_2_3.F eomccsdtq_y1_7_2_4.F eomccsdtq_y1_7_2_5_1.F eomccsdtq_y1_7_2_5.F eomccsdtq_y1_7_2.F eomccsdtq_y1_7_3_2.F eomccsdtq_y1_7_3.F eomccsdtq_y1_7_4_2_1.F eomccsdtq_y1_7_4_2.F eomccsdtq_y1_7_4.F eomccsdtq_y1_7_5_2_1.F eomccsdtq_y1_7_5_2.F eomccsdtq_y1_7_5.F eomccsdtq_y1_7_6_2_2.F eomccsdtq_y1_7_6_2.F eomccsdtq_y1_7_6_3.F eomccsdtq_y1_7_6.F eomccsdtq_y1_7_7_2.F eomccsdtq_y1_7_7_3.F eomccsdtq_y1_7_7.F eomccsdtq_y1_7_8.F eomccsdtq_y1_7_9_2.F eomccsdtq_y1_7_9.F eomccsdtq_y1_7.F eomccsdtq_y1_8_1.F eomccsdtq_y1_8_2.F eomccsdtq_y1_8_3.F eomccsdtq_y1_8_4.F eomccsdtq_y1_8.F eomccsdtq_y1_9_1.F eomccsdtq_y1_9_2.F eomccsdtq_y1_9_3.F eomccsdtq_y1_9_4.F eomccsdtq_y1_9.F eomccsdtq_y2_10_2_2_2.F eomccsdtq_y2_10_2_2.F eomccsdtq_y2_10_2_3.F eomccsdtq_y2_10_2.F eomccsdtq_y2_10_3_2.F eomccsdtq_y2_10_3.F eomccsdtq_y2_10_4_2.F eomccsdtq_y2_10_4.F eomccsdtq_y2_10_5_2.F eomccsdtq_y2_10_5.F eomccsdtq_y2_10_6.F eomccsdtq_y2_10_7.F eomccsdtq_y2_10.F eomccsdtq_y2_11_2.F eomccsdtq_y2_11_3_2.F eomccsdtq_y2_11_3.F eomccsdtq_y2_11_4.F eomccsdtq_y2_11_5.F eomccsdtq_y2_11_6_1.F eomccsdtq_y2_11_6.F eomccsdtq_y2_11_7_1.F eomccsdtq_y2_11_7.F eomccsdtq_y2_11.F eomccsdtq_y2_12_10_2.F eomccsdtq_y2_12_10.F eomccsdtq_y2_12_11.F eomccsdtq_y2_12_12.F eomccsdtq_y2_12_13_1.F eomccsdtq_y2_12_13_2.F eomccsdtq_y2_12_13_3.F eomccsdtq_y2_12_13.F eomccsdtq_y2_12_14_1.F eomccsdtq_y2_12_14_2.F eomccsdtq_y2_12_14_3.F eomccsdtq_y2_12_14.F eomccsdtq_y2_12_15_1.F eomccsdtq_y2_12_15_2.F eomccsdtq_y2_12_15.F eomccsdtq_y2_12_2_2_2_2.F eomccsdtq_y2_12_2_2_2.F eomccsdtq_y2_12_2_2_3.F eomccsdtq_y2_12_2_2.F eomccsdtq_y2_12_2_3_2.F eomccsdtq_y2_12_2_3.F eomccsdtq_y2_12_2_4.F eomccsdtq_y2_12_2_5_1.F eomccsdtq_y2_12_2_5.F eomccsdtq_y2_12_2.F eomccsdtq_y2_12_3_2.F eomccsdtq_y2_12_3.F eomccsdtq_y2_12_4_2_1.F eomccsdtq_y2_12_4_2.F eomccsdtq_y2_12_4.F eomccsdtq_y2_12_5_2_1.F eomccsdtq_y2_12_5_2.F eomccsdtq_y2_12_5.F eomccsdtq_y2_12_6_2_2.F eomccsdtq_y2_12_6_2.F eomccsdtq_y2_12_6_3.F eomccsdtq_y2_12_6.F eomccsdtq_y2_12_7_2.F eomccsdtq_y2_12_7_3.F eomccsdtq_y2_12_7.F eomccsdtq_y2_12_8.F eomccsdtq_y2_12_9_2.F eomccsdtq_y2_12_9.F eomccsdtq_y2_1_2.F eomccsdtq_y2_12.F eomccsdtq_y2_13_1.F eomccsdtq_y2_13_2.F eomccsdtq_y2_13_3.F eomccsdtq_y2_13_4.F eomccsdtq_y2_13.F eomccsdtq_y2_14_1.F eomccsdtq_y2_14_2.F eomccsdtq_y2_14_3.F eomccsdtq_y2_14.F eomccsdtq_y2_15_1.F eomccsdtq_y2_15_2.F eomccsdtq_y2_15_3.F eomccsdtq_y2_15.F eomccsdtq_y2_16_1.F eomccsdtq_y2_16_2.F eomccsdtq_y2_16_3.F eomccsdtq_y2_16.F eomccsdtq_y2_17_1.F eomccsdtq_y2_17_2.F eomccsdtq_y2_17.F eomccsdtq_y2_18_1.F eomccsdtq_y2_18_2.F eomccsdtq_y2_18_3.F eomccsdtq_y2_18.F eomccsdtq_y2_19_1.F eomccsdtq_y2_19_2.F eomccsdtq_y2_19_3.F eomccsdtq_y2_19_4_1.F eomccsdtq_y2_19_4.F eomccsdtq_y2_19_5_1.F eomccsdtq_y2_19_5_2.F eomccsdtq_y2_19_5.F eomccsdtq_y2_19_6_1.F eomccsdtq_y2_19_6.F eomccsdtq_y2_19.F eomccsdtq_y2_1.F eomccsdtq_y2_20_1.F eomccsdtq_y2_20_2.F eomccsdtq_y2_20.F eomccsdtq_y2_21_1.F eomccsdtq_y2_21_2.F eomccsdtq_y2_21.F eomccsdtq_y2_22_1_2.F eomccsdtq_y2_22_1_3.F eomccsdtq_y2_22_1.F eomccsdtq_y2_22_2_2.F eomccsdtq_y2_22_2_3.F eomccsdtq_y2_22_2_4.F eomccsdtq_y2_22_2.F eomccsdtq_y2_22_3_2.F eomccsdtq_y2_22_3.F eomccsdtq_y2_22_4_2.F eomccsdtq_y2_22_4.F eomccsdtq_y2_22_5_2.F eomccsdtq_y2_22_5.F eomccsdtq_y2_22_6.F eomccsdtq_y2_22_7_1_1.F eomccsdtq_y2_22_7_1.F eomccsdtq_y2_22_7.F eomccsdtq_y2_22_8_1_1.F eomccsdtq_y2_22_8_1.F eomccsdtq_y2_22_8.F eomccsdtq_y2_2_2.F eomccsdtq_y2_22.F eomccsdtq_y2_23_1_2.F eomccsdtq_y2_23_1.F eomccsdtq_y2_23_2_2.F eomccsdtq_y2_23_2.F eomccsdtq_y2_23_3_2.F eomccsdtq_y2_23_3.F eomccsdtq_y2_23_4.F eomccsdtq_y2_23.F eomccsdtq_y2_24_1.F eomccsdtq_y2_24.F eomccsdtq_y2_25_1.F eomccsdtq_y2_25_2.F eomccsdtq_y2_25_3_1.F eomccsdtq_y2_25_3_2.F eomccsdtq_y2_25_3_3.F eomccsdtq_y2_25_3.F eomccsdtq_y2_25_4_1.F eomccsdtq_y2_25_4_2.F eomccsdtq_y2_25_4.F eomccsdtq_y2_25_5_1.F eomccsdtq_y2_25_5.F eomccsdtq_y2_25.F eomccsdtq_y2_26_1.F eomccsdtq_y2_26.F eomccsdtq_y2_27_1_1.F eomccsdtq_y2_27_1.F eomccsdtq_y2_27_2_1.F eomccsdtq_y2_27_2.F eomccsdtq_y2_27.F eomccsdtq_y2_28_1_1.F eomccsdtq_y2_28_1_2.F eomccsdtq_y2_28_1.F eomccsdtq_y2_28_2_1.F eomccsdtq_y2_28_2.F eomccsdtq_y2_28.F eomccsdtq_y2_29_1_1.F eomccsdtq_y2_29_1_2.F eomccsdtq_y2_29_1.F eomccsdtq_y2_29_2_1.F eomccsdtq_y2_29_2.F eomccsdtq_y2_29_3_1_1.F eomccsdtq_y2_29_3_1_2.F eomccsdtq_y2_29_3_1.F eomccsdtq_y2_29_3.F eomccsdtq_y2_29_4_1_1.F eomccsdtq_y2_29_4_1.F eomccsdtq_y2_29_4.F eomccsdtq_y2_29.F eomccsdtq_y2_2.F eomccsdtq_y2_30_1_1.F eomccsdtq_y2_30_1.F eomccsdtq_y2_30_2_1.F eomccsdtq_y2_30_2.F eomccsdtq_y2_30.F eomccsdtq_y2_3.F eomccsdtq_y2_4_2_2.F eomccsdtq_y2_4_2.F eomccsdtq_y2_4_3.F eomccsdtq_y2_4_4.F eomccsdtq_y2_4.F eomccsdtq_y2_5_2.F eomccsdtq_y2_5_3.F eomccsdtq_y2_5_4_1.F eomccsdtq_y2_5_4.F eomccsdtq_y2_5.F eomccsdtq_y2_6_2_2.F eomccsdtq_y2_6_2.F eomccsdtq_y2_6_3.F eomccsdtq_y2_6.F eomccsdtq_y2_7_2.F eomccsdtq_y2_7_3.F eomccsdtq_y2_7.F eomccsdtq_y2_8.F eomccsdtq_y2_9_2_2_2.F eomccsdtq_y2_9_2_2.F eomccsdtq_y2_9_2_3.F eomccsdtq_y2_9_2_4.F eomccsdtq_y2_9_2.F eomccsdtq_y2_9_3_2.F eomccsdtq_y2_9_3_3.F eomccsdtq_y2_9_3.F eomccsdtq_y2_9_4.F eomccsdtq_y2_9_5_2.F eomccsdtq_y2_9_5.F eomccsdtq_y2_9_6.F eomccsdtq_y2_9_7.F eomccsdtq_y2_9_8.F eomccsdtq_y2_9.F eomccsdtq_y3_10_2_2_2.F eomccsdtq_y3_10_2_2.F eomccsdtq_y3_10_2_3.F eomccsdtq_y3_10_2_4.F eomccsdtq_y3_10_2.F eomccsdtq_y3_10_3_2.F eomccsdtq_y3_10_3_3.F eomccsdtq_y3_10_3.F eomccsdtq_y3_10_4.F eomccsdtq_y3_10_5_2.F eomccsdtq_y3_10_5.F eomccsdtq_y3_10_6.F eomccsdtq_y3_10_7.F eomccsdtq_y3_10_8.F eomccsdtq_y3_10.F eomccsdtq_y3_11_2_2_2.F eomccsdtq_y3_11_2_2.F eomccsdtq_y3_11_2_3.F eomccsdtq_y3_11_2.F eomccsdtq_y3_11_3_2.F eomccsdtq_y3_11_3.F eomccsdtq_y3_11_4_2.F eomccsdtq_y3_11_4.F eomccsdtq_y3_11_5_2.F eomccsdtq_y3_11_5.F eomccsdtq_y3_11_6.F eomccsdtq_y3_11_7.F eomccsdtq_y3_11.F eomccsdtq_y3_12_2.F eomccsdtq_y3_12_3_2.F eomccsdtq_y3_12_3.F eomccsdtq_y3_12_4.F eomccsdtq_y3_12_5.F eomccsdtq_y3_12_6_1.F eomccsdtq_y3_12_6.F eomccsdtq_y3_12_7_1.F eomccsdtq_y3_12_7.F eomccsdtq_y3_12.F eomccsdtq_y3_13_1.F eomccsdtq_y3_13_2.F eomccsdtq_y3_13_3.F eomccsdtq_y3_13.F eomccsdtq_y3_14_1.F eomccsdtq_y3_14_2.F eomccsdtq_y3_14.F eomccsdtq_y3_15_1.F eomccsdtq_y3_15_2.F eomccsdtq_y3_15.F eomccsdtq_y3_16_1.F eomccsdtq_y3_16_2.F eomccsdtq_y3_16.F eomccsdtq_y3_17_1.F eomccsdtq_y3_17.F eomccsdtq_y3_18_1.F eomccsdtq_y3_18_2.F eomccsdtq_y3_18.F eomccsdtq_y3_19_1.F eomccsdtq_y3_19_2.F eomccsdtq_y3_19_3_1.F eomccsdtq_y3_19_3.F eomccsdtq_y3_19_4_1.F eomccsdtq_y3_19_4.F eomccsdtq_y3_19.F eomccsdtq_y3_1.F eomccsdtq_y3_20_1.F eomccsdtq_y3_20.F eomccsdtq_y3_21_1.F eomccsdtq_y3_21.F eomccsdtq_y3_22_1.F eomccsdtq_y3_2_2.F eomccsdtq_y3_22.F eomccsdtq_y3_23_1.F eomccsdtq_y3_23.F eomccsdtq_y3_24_1_1.F eomccsdtq_y3_24_1.F eomccsdtq_y3_24.F eomccsdtq_y3_25_1_1.F eomccsdtq_y3_25_1.F eomccsdtq_y3_25.F eomccsdtq_y3_26_1_1.F eomccsdtq_y3_26_1.F eomccsdtq_y3_26_2_1.F eomccsdtq_y3_26_2.F eomccsdtq_y3_26.F eomccsdtq_y3_27_1_1.F eomccsdtq_y3_27_1.F eomccsdtq_y3_27_2_1_1.F eomccsdtq_y3_27_2_1.F eomccsdtq_y3_27_2.F eomccsdtq_y3_27.F eomccsdtq_y3_2.F eomccsdtq_y3_3_2.F eomccsdtq_y3_3.F eomccsdtq_y3_4.F eomccsdtq_y3_5_2_2.F eomccsdtq_y3_5_2.F eomccsdtq_y3_5_3.F eomccsdtq_y3_5_4.F eomccsdtq_y3_5.F eomccsdtq_y3_6_2.F eomccsdtq_y3_6_3.F eomccsdtq_y3_6_4_1.F eomccsdtq_y3_6_4.F eomccsdtq_y3_6.F eomccsdtq_y3_7_2_2.F eomccsdtq_y3_7_2.F eomccsdtq_y3_7_3.F eomccsdtq_y3_7.F eomccsdtq_y3_8_2.F eomccsdtq_y3_8_3.F eomccsdtq_y3_8_4_1.F eomccsdtq_y3_8_4.F eomccsdtq_y3_8.F eomccsdtq_y3_9.F eomccsdtq_y4_10_1.F eomccsdtq_y4_10_2.F eomccsdtq_y4_10.F eomccsdtq_y4_11_1.F eomccsdtq_y4_11.F eomccsdtq_y4_12_1.F eomccsdtq_y4_12.F eomccsdtq_y4_13_1.F eomccsdtq_y4_13.F eomccsdtq_y4_14_1.F eomccsdtq_y4_14.F eomccsdtq_y4_15_1.F eomccsdtq_y4_15_2_1.F eomccsdtq_y4_15_2.F eomccsdtq_y4_15.F eomccsdtq_y4_1.F eomccsdtq_y4_2_2.F eomccsdtq_y4_2.F eomccsdtq_y4_3_2.F eomccsdtq_y4_3.F eomccsdtq_y4_4.F eomccsdtq_y4_5_2_2.F eomccsdtq_y4_5_2.F eomccsdtq_y4_5_3.F eomccsdtq_y4_5_4.F eomccsdtq_y4_5.F eomccsdtq_y4_6_2.F eomccsdtq_y4_6_3.F eomccsdtq_y4_6_4_1.F eomccsdtq_y4_6_4.F eomccsdtq_y4_6.F eomccsdtq_y4_7_2_2.F eomccsdtq_y4_7_2.F eomccsdtq_y4_7_3.F eomccsdtq_y4_7.F eomccsdtq_y4_8_2.F eomccsdtq_y4_8_3.F eomccsdtq_y4_8_4_1.F eomccsdtq_y4_8_4.F eomccsdtq_y4_8.F eomccsdtq_y4_9.F converting eomccsdtq_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_10_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_density1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_7_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_15_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_15_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_17_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_3_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x2_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_7_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_17_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_17_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_17_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_18_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_19_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_3_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x3_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_7_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_5_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_16_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_16_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_21_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_21_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_21_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_22_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_23_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_23_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_23.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_24_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_24.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_6_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_8_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_x4_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_10_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_12_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_12_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_13_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_7_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_18_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_3_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_16_2_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_16_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_18_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_19_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_20_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_21_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_22_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_23_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_23_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_23.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_24_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_24_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_24.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_3_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_6_1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_8_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_3_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_3_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_4_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_2_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_5_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_6_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_8_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_9_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_9_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y1_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_5_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_6_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_13_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_14_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_15_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_16_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_17_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_18_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_18_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_20_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_21_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_7_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_8_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_23.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_24_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_24.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_25.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_26_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_26.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_27_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_27_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_27_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_27_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_27.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_28.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_3_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_3_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_4_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_29.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_30_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_30_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_30_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_30_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_30.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_4_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_6_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y2_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_2_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_2_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_13_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_13_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_14_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_16_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_16_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_16.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_17_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_17.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_18_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_18_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_18.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_19.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_20_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_20.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_21_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_21.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_22_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_22.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_23_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_23.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_24_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_24_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_24.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_25_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_25_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_25.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_26_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_26_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_26_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_26_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_26.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27_2_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_27.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_7_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_8_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_8_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y3_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_14_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_14.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_15_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_15_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_15_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_15.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_5_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_7_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_7_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_7_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_8_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_8_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdtq_y4_9.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' Making 64_to_32 in ccsdtq_alpha_offdiag make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsdtq_lr_alpha_10_1_1.F ccsdtq_lr_alpha_10_1.F ccsdtq_lr_alpha_10_2_1.F ccsdtq_lr_alpha_10_2_2.F ccsdtq_lr_alpha_10_2.F ccsdtq_lr_alpha_10_3_1.F ccsdtq_lr_alpha_10_3.F ccsdtq_lr_alpha_10_4_1.F ccsdtq_lr_alpha_10_4.F ccsdtq_lr_alpha_10_5_1.F ccsdtq_lr_alpha_10_5_2.F ccsdtq_lr_alpha_10_5.F ccsdtq_lr_alpha_10_6_1.F ccsdtq_lr_alpha_10_6.F ccsdtq_lr_alpha_10.F ccsdtq_lr_alpha_1_10_1.F ccsdtq_lr_alpha_1_10_2.F ccsdtq_lr_alpha_1_10_3.F ccsdtq_lr_alpha_1_10.F ccsdtq_lr_alpha_1_11_1.F ccsdtq_lr_alpha_11_1_1.F ccsdtq_lr_alpha_1_11_2.F ccsdtq_lr_alpha_11_1_2.F ccsdtq_lr_alpha_11_1_3.F ccsdtq_lr_alpha_1_11.F ccsdtq_lr_alpha_11_1.F ccsdtq_lr_alpha_1_12_1.F ccsdtq_lr_alpha_11_2_1.F ccsdtq_lr_alpha_11_2_2.F ccsdtq_lr_alpha_11_2_3.F ccsdtq_lr_alpha_1_12.F ccsdtq_lr_alpha_11_2.F ccsdtq_lr_alpha_11_3_1.F ccsdtq_lr_alpha_11_3_2.F ccsdtq_lr_alpha_11_3.F ccsdtq_lr_alpha_11_4_1.F ccsdtq_lr_alpha_11_4.F ccsdtq_lr_alpha_11_5_1.F ccsdtq_lr_alpha_11_5_2.F ccsdtq_lr_alpha_11_5.F ccsdtq_lr_alpha_11_6_1.F ccsdtq_lr_alpha_11_6.F ccsdtq_lr_alpha_1_1.F ccsdtq_lr_alpha_11.F ccsdtq_lr_alpha_12_10_1.F ccsdtq_lr_alpha_12_10_2_1.F ccsdtq_lr_alpha_12_10_2.F ccsdtq_lr_alpha_12_10_3_1.F ccsdtq_lr_alpha_12_10_3.F ccsdtq_lr_alpha_12_10_4_1.F ccsdtq_lr_alpha_12_10_4.F ccsdtq_lr_alpha_12_10_5_1.F ccsdtq_lr_alpha_12_10_5.F ccsdtq_lr_alpha_12_10_6_1.F ccsdtq_lr_alpha_12_10_6.F ccsdtq_lr_alpha_12_10_7_1.F ccsdtq_lr_alpha_12_10_7.F ccsdtq_lr_alpha_12_10.F ccsdtq_lr_alpha_12_11_1.F ccsdtq_lr_alpha_12_11_2.F ccsdtq_lr_alpha_12_1_1.F ccsdtq_lr_alpha_12_11.F ccsdtq_lr_alpha_12_12_1.F ccsdtq_lr_alpha_12_12.F ccsdtq_lr_alpha_12_13_1.F ccsdtq_lr_alpha_12_13.F ccsdtq_lr_alpha_12_14_1.F ccsdtq_lr_alpha_12_14.F ccsdtq_lr_alpha_12_15_1_1.F ccsdtq_lr_alpha_12_15_1.F ccsdtq_lr_alpha_12_15_2_1.F ccsdtq_lr_alpha_12_15_2.F ccsdtq_lr_alpha_12_15_3_1.F ccsdtq_lr_alpha_12_15_3.F ccsdtq_lr_alpha_12_15_4_1.F ccsdtq_lr_alpha_12_15_4.F ccsdtq_lr_alpha_12_15_5_1.F ccsdtq_lr_alpha_12_15_5.F ccsdtq_lr_alpha_12_15_6_1.F ccsdtq_lr_alpha_12_15_6.F ccsdtq_lr_alpha_12_15.F ccsdtq_lr_alpha_12_16_1_1.F ccsdtq_lr_alpha_12_16_1.F ccsdtq_lr_alpha_12_16_2_1.F ccsdtq_lr_alpha_12_16_2.F ccsdtq_lr_alpha_12_16.F ccsdtq_lr_alpha_12_17_1_1.F ccsdtq_lr_alpha_12_17_1.F ccsdtq_lr_alpha_12_17_2_1.F ccsdtq_lr_alpha_12_17_2.F ccsdtq_lr_alpha_12_17.F ccsdtq_lr_alpha_12_18_1_1.F ccsdtq_lr_alpha_12_18_1.F ccsdtq_lr_alpha_12_18_2_1.F ccsdtq_lr_alpha_12_18_2.F ccsdtq_lr_alpha_12_18.F ccsdtq_lr_alpha_12_1.F ccsdtq_lr_alpha_12_2_1.F ccsdtq_lr_alpha_12_2_2.F ccsdtq_lr_alpha_12_2.F ccsdtq_lr_alpha_12_3_1.F ccsdtq_lr_alpha_12_3_2_1.F ccsdtq_lr_alpha_12_3_2.F ccsdtq_lr_alpha_12_3_3_1.F ccsdtq_lr_alpha_12_3_3.F ccsdtq_lr_alpha_12_3_4_1.F ccsdtq_lr_alpha_12_3_4.F ccsdtq_lr_alpha_12_3_5_1.F ccsdtq_lr_alpha_12_3_5.F ccsdtq_lr_alpha_12_3_6_1.F ccsdtq_lr_alpha_12_3_6.F ccsdtq_lr_alpha_12_3_7_1.F ccsdtq_lr_alpha_12_3_7.F ccsdtq_lr_alpha_12_3.F ccsdtq_lr_alpha_12_4_1.F ccsdtq_lr_alpha_12_4_2.F ccsdtq_lr_alpha_12_4.F ccsdtq_lr_alpha_12_5_1.F ccsdtq_lr_alpha_12_5.F ccsdtq_lr_alpha_12_6_1.F ccsdtq_lr_alpha_12_6.F ccsdtq_lr_alpha_12_7_1.F ccsdtq_lr_alpha_12_7.F ccsdtq_lr_alpha_12_8_1.F ccsdtq_lr_alpha_12_8.F ccsdtq_lr_alpha_12_9_1.F ccsdtq_lr_alpha_12_9_2.F ccsdtq_lr_alpha_12_9.F ccsdtq_lr_alpha_1_2.F ccsdtq_lr_alpha_12.F ccsdtq_lr_alpha_13_10_1.F ccsdtq_lr_alpha_13_10.F ccsdtq_lr_alpha_13_11_1.F ccsdtq_lr_alpha_13_11_2.F ccsdtq_lr_alpha_13_11_3.F ccsdtq_lr_alpha_13_1_1.F ccsdtq_lr_alpha_13_11.F ccsdtq_lr_alpha_13_12_1.F ccsdtq_lr_alpha_13_12_2.F ccsdtq_lr_alpha_13_1_2.F ccsdtq_lr_alpha_13_12.F ccsdtq_lr_alpha_13_13_1.F ccsdtq_lr_alpha_13_1_3.F ccsdtq_lr_alpha_13_13.F ccsdtq_lr_alpha_13_1_4_1.F ccsdtq_lr_alpha_13_14_1.F ccsdtq_lr_alpha_13_14_2.F ccsdtq_lr_alpha_13_1_4.F ccsdtq_lr_alpha_13_14.F ccsdtq_lr_alpha_13_1_5_1.F ccsdtq_lr_alpha_13_15_1.F ccsdtq_lr_alpha_13_1_5_2.F ccsdtq_lr_alpha_13_15_2.F ccsdtq_lr_alpha_13_1_5_3.F ccsdtq_lr_alpha_13_1_5.F ccsdtq_lr_alpha_13_15.F ccsdtq_lr_alpha_13_1_6_1.F ccsdtq_lr_alpha_13_16_1.F ccsdtq_lr_alpha_13_1_6.F ccsdtq_lr_alpha_13_16.F ccsdtq_lr_alpha_13_17_1_1.F ccsdtq_lr_alpha_13_1_7_1.F ccsdtq_lr_alpha_13_17_1.F ccsdtq_lr_alpha_13_17_2_1.F ccsdtq_lr_alpha_13_1_7_2.F ccsdtq_lr_alpha_13_17_2.F ccsdtq_lr_alpha_13_17_3_1.F ccsdtq_lr_alpha_13_1_7_3.F ccsdtq_lr_alpha_13_17_3.F ccsdtq_lr_alpha_13_17_4_1.F ccsdtq_lr_alpha_13_17_4.F ccsdtq_lr_alpha_13_1_7.F ccsdtq_lr_alpha_13_17.F ccsdtq_lr_alpha_13_18_1_1.F ccsdtq_lr_alpha_13_18_1.F ccsdtq_lr_alpha_13_18_2_1.F ccsdtq_lr_alpha_13_18_2.F ccsdtq_lr_alpha_13_18_3_1.F ccsdtq_lr_alpha_13_18_3_2.F ccsdtq_lr_alpha_13_18_3_3.F ccsdtq_lr_alpha_13_18_3.F ccsdtq_lr_alpha_13_18_4_1.F ccsdtq_lr_alpha_13_18_4_2.F ccsdtq_lr_alpha_13_18_4_3.F ccsdtq_lr_alpha_13_18_4.F ccsdtq_lr_alpha_13_18.F ccsdtq_lr_alpha_13_19_1_1.F ccsdtq_lr_alpha_13_19_1.F ccsdtq_lr_alpha_13_19_2_1.F ccsdtq_lr_alpha_13_19_2.F ccsdtq_lr_alpha_13_19.F ccsdtq_lr_alpha_13_1.F ccsdtq_lr_alpha_13_20_1_1.F ccsdtq_lr_alpha_13_20_1.F ccsdtq_lr_alpha_13_20_2_1.F ccsdtq_lr_alpha_13_20_2.F ccsdtq_lr_alpha_13_20.F ccsdtq_lr_alpha_13_21_1_1.F ccsdtq_lr_alpha_13_21_1.F ccsdtq_lr_alpha_13_21_2_1.F ccsdtq_lr_alpha_13_21_2.F ccsdtq_lr_alpha_13_21_3_1.F ccsdtq_lr_alpha_13_21_3.F ccsdtq_lr_alpha_13_21_4_1.F ccsdtq_lr_alpha_13_21_4.F ccsdtq_lr_alpha_13_2_1.F ccsdtq_lr_alpha_13_21.F ccsdtq_lr_alpha_13_22_1_1.F ccsdtq_lr_alpha_13_22_1.F ccsdtq_lr_alpha_13_22_2_1.F ccsdtq_lr_alpha_13_22_2.F ccsdtq_lr_alpha_13_22_3_1.F ccsdtq_lr_alpha_13_22_3.F ccsdtq_lr_alpha_13_22_4_1.F ccsdtq_lr_alpha_13_22_4.F ccsdtq_lr_alpha_13_22.F ccsdtq_lr_alpha_13_23_1_1.F ccsdtq_lr_alpha_13_23_1.F ccsdtq_lr_alpha_13_23_2_1.F ccsdtq_lr_alpha_13_23_2.F ccsdtq_lr_alpha_13_23.F ccsdtq_lr_alpha_13_2.F ccsdtq_lr_alpha_13_3_1.F ccsdtq_lr_alpha_13_3_2.F ccsdtq_lr_alpha_13_3_3.F ccsdtq_lr_alpha_13_3.F ccsdtq_lr_alpha_13_4_1.F ccsdtq_lr_alpha_13_4_2.F ccsdtq_lr_alpha_13_4.F ccsdtq_lr_alpha_13_5_1.F ccsdtq_lr_alpha_13_5.F ccsdtq_lr_alpha_13_6_1.F ccsdtq_lr_alpha_13_6_2.F ccsdtq_lr_alpha_13_6.F ccsdtq_lr_alpha_13_7_1.F ccsdtq_lr_alpha_13_7_2.F ccsdtq_lr_alpha_13_7.F ccsdtq_lr_alpha_13_8_1.F ccsdtq_lr_alpha_13_8.F ccsdtq_lr_alpha_13_9_1.F ccsdtq_lr_alpha_13_9_2.F ccsdtq_lr_alpha_13_9_3.F ccsdtq_lr_alpha_13_9_4_1.F ccsdtq_lr_alpha_13_9_4_2.F ccsdtq_lr_alpha_13_9_4_3.F ccsdtq_lr_alpha_13_9_4.F ccsdtq_lr_alpha_13_9_5_1.F ccsdtq_lr_alpha_13_9_5_2.F ccsdtq_lr_alpha_13_9_5_3.F ccsdtq_lr_alpha_13_9_5.F ccsdtq_lr_alpha_13_9_6_1.F ccsdtq_lr_alpha_13_9_6.F ccsdtq_lr_alpha_13_9_7_1.F ccsdtq_lr_alpha_13_9_7.F ccsdtq_lr_alpha_13_9.F ccsdtq_lr_alpha_1_3.F ccsdtq_lr_alpha_13.F ccsdtq_lr_alpha_14_1_1.F ccsdtq_lr_alpha_14_1_2.F ccsdtq_lr_alpha_14_1.F ccsdtq_lr_alpha_14_2_1.F ccsdtq_lr_alpha_14_2.F ccsdtq_lr_alpha_14_3_1.F ccsdtq_lr_alpha_14_3_2.F ccsdtq_lr_alpha_14_3.F ccsdtq_lr_alpha_14_4_1.F ccsdtq_lr_alpha_14_4.F ccsdtq_lr_alpha_1_4.F ccsdtq_lr_alpha_14.F ccsdtq_lr_alpha_15_10_1.F ccsdtq_lr_alpha_15_10_2.F ccsdtq_lr_alpha_15_10_3_1.F ccsdtq_lr_alpha_15_10_3.F ccsdtq_lr_alpha_15_10_4_1.F ccsdtq_lr_alpha_15_10_4.F ccsdtq_lr_alpha_15_10.F ccsdtq_lr_alpha_15_11_1.F ccsdtq_lr_alpha_15_11_2.F ccsdtq_lr_alpha_15_1_1.F ccsdtq_lr_alpha_15_11.F ccsdtq_lr_alpha_15_12_1.F ccsdtq_lr_alpha_15_1_2.F ccsdtq_lr_alpha_15_12.F ccsdtq_lr_alpha_15_13_1.F ccsdtq_lr_alpha_15_13_2_1.F ccsdtq_lr_alpha_15_13_2.F ccsdtq_lr_alpha_15_13_3_1.F ccsdtq_lr_alpha_15_13_3.F ccsdtq_lr_alpha_15_13.F ccsdtq_lr_alpha_15_14_1.F ccsdtq_lr_alpha_15_14.F ccsdtq_lr_alpha_15_15_1.F 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ccsdtq_lr_alpha_15_52_12_2.F ccsdtq_lr_alpha_15_52_12_3_1.F ccsdtq_lr_alpha_15_52_12_3.F ccsdtq_lr_alpha_15_52_1_2.F ccsdtq_lr_alpha_15_52_12.F ccsdtq_lr_alpha_15_52_1_3.F ccsdtq_lr_alpha_15_52_1_4_1.F ccsdtq_lr_alpha_15_52_1_4_2.F ccsdtq_lr_alpha_15_52_1_4_3.F ccsdtq_lr_alpha_15_52_1_4.F ccsdtq_lr_alpha_15_52_1_5_1.F ccsdtq_lr_alpha_15_52_1_5.F ccsdtq_lr_alpha_15_52_1_6_1.F ccsdtq_lr_alpha_15_52_1_6_2.F ccsdtq_lr_alpha_15_52_1_6_3.F ccsdtq_lr_alpha_15_52_1_6.F ccsdtq_lr_alpha_15_52_1_7_1.F ccsdtq_lr_alpha_15_52_1_7.F ccsdtq_lr_alpha_15_52_1.F ccsdtq_lr_alpha_15_52_2_1.F ccsdtq_lr_alpha_15_52_2.F ccsdtq_lr_alpha_15_52_3_1.F ccsdtq_lr_alpha_15_52_3.F ccsdtq_lr_alpha_15_52_4_1.F ccsdtq_lr_alpha_15_52_4.F ccsdtq_lr_alpha_15_52_5_1.F ccsdtq_lr_alpha_15_52_5_2.F ccsdtq_lr_alpha_15_52_5_3.F ccsdtq_lr_alpha_15_52_5_4_1.F ccsdtq_lr_alpha_15_52_5_4.F ccsdtq_lr_alpha_15_52_5_5_1.F ccsdtq_lr_alpha_15_52_5_5_2.F ccsdtq_lr_alpha_15_52_5_5_3.F ccsdtq_lr_alpha_15_52_5_5.F ccsdtq_lr_alpha_15_52_5_6_1.F ccsdtq_lr_alpha_15_52_5_6.F ccsdtq_lr_alpha_15_52_5_7_1.F ccsdtq_lr_alpha_15_52_5_7_2.F ccsdtq_lr_alpha_15_52_5_7.F ccsdtq_lr_alpha_15_52_5.F ccsdtq_lr_alpha_15_52_6_1.F ccsdtq_lr_alpha_15_52_6.F ccsdtq_lr_alpha_15_52_7_1.F ccsdtq_lr_alpha_15_52_7.F ccsdtq_lr_alpha_15_52_8_1.F ccsdtq_lr_alpha_15_52_8.F ccsdtq_lr_alpha_15_52_9_1_1.F ccsdtq_lr_alpha_15_52_9_1.F ccsdtq_lr_alpha_15_52_9_2_1.F ccsdtq_lr_alpha_15_52_9_2_2.F ccsdtq_lr_alpha_15_52_9_2_3.F ccsdtq_lr_alpha_15_52_9_2.F ccsdtq_lr_alpha_15_52_9_3_1.F ccsdtq_lr_alpha_15_52_9_3.F ccsdtq_lr_alpha_15_52_9_4_1.F ccsdtq_lr_alpha_15_52_9_4_2.F ccsdtq_lr_alpha_15_52_9_4_3.F ccsdtq_lr_alpha_15_52_9_4.F ccsdtq_lr_alpha_15_52_9.F ccsdtq_lr_alpha_15_5_2.F ccsdtq_lr_alpha_15_52.F ccsdtq_lr_alpha_15_53_1_1.F ccsdtq_lr_alpha_15_53_1.F ccsdtq_lr_alpha_15_53_2_1.F ccsdtq_lr_alpha_15_53_2.F ccsdtq_lr_alpha_15_5_3.F ccsdtq_lr_alpha_15_53.F ccsdtq_lr_alpha_15_54_1_1.F ccsdtq_lr_alpha_15_5_4_1.F ccsdtq_lr_alpha_15_54_1.F ccsdtq_lr_alpha_15_54_2_1.F ccsdtq_lr_alpha_15_5_4_2.F ccsdtq_lr_alpha_15_54_2.F ccsdtq_lr_alpha_15_54_3_1_1.F ccsdtq_lr_alpha_15_54_3_1.F ccsdtq_lr_alpha_15_54_3.F ccsdtq_lr_alpha_15_54_4_1_1.F ccsdtq_lr_alpha_15_54_4_1.F ccsdtq_lr_alpha_15_54_4_2_1.F ccsdtq_lr_alpha_15_54_4_2.F ccsdtq_lr_alpha_15_54_4.F ccsdtq_lr_alpha_15_5_4.F ccsdtq_lr_alpha_15_54.F ccsdtq_lr_alpha_15_55_1_1.F ccsdtq_lr_alpha_15_5_5_1.F ccsdtq_lr_alpha_15_55_1.F ccsdtq_lr_alpha_15_55_2_1.F ccsdtq_lr_alpha_15_5_5_2.F ccsdtq_lr_alpha_15_55_2.F ccsdtq_lr_alpha_15_5_5.F ccsdtq_lr_alpha_15_55.F ccsdtq_lr_alpha_15_5_6_1.F ccsdtq_lr_alpha_15_5_6.F ccsdtq_lr_alpha_15_5_7_1.F ccsdtq_lr_alpha_15_5_7.F ccsdtq_lr_alpha_15_5.F ccsdtq_lr_alpha_15_6_1.F ccsdtq_lr_alpha_15_6.F ccsdtq_lr_alpha_15_7_1.F ccsdtq_lr_alpha_15_7_2.F ccsdtq_lr_alpha_15_7_3.F ccsdtq_lr_alpha_15_7_4_1.F ccsdtq_lr_alpha_15_7_4_2.F ccsdtq_lr_alpha_15_7_4.F ccsdtq_lr_alpha_15_7_5_1.F ccsdtq_lr_alpha_15_7_5.F ccsdtq_lr_alpha_15_7_6_1.F ccsdtq_lr_alpha_15_7_6.F ccsdtq_lr_alpha_15_7_7_1.F ccsdtq_lr_alpha_15_7_7_2.F ccsdtq_lr_alpha_15_7_7.F ccsdtq_lr_alpha_15_7.F ccsdtq_lr_alpha_15_8_1.F ccsdtq_lr_alpha_15_8_2.F ccsdtq_lr_alpha_15_8_3_1.F ccsdtq_lr_alpha_15_8_3.F ccsdtq_lr_alpha_15_8_4_1.F ccsdtq_lr_alpha_15_8_4.F ccsdtq_lr_alpha_15_8.F ccsdtq_lr_alpha_15_9_1.F ccsdtq_lr_alpha_15_9_2.F ccsdtq_lr_alpha_15_9.F ccsdtq_lr_alpha_1_5.F ccsdtq_lr_alpha_15.F ccsdtq_lr_alpha_16_10_1.F ccsdtq_lr_alpha_16_10_2.F ccsdtq_lr_alpha_16_10.F ccsdtq_lr_alpha_16_11_1.F ccsdtq_lr_alpha_16_1_1.F ccsdtq_lr_alpha_16_11.F ccsdtq_lr_alpha_16_12_1.F ccsdtq_lr_alpha_16_12_2.F ccsdtq_lr_alpha_16_1_2.F ccsdtq_lr_alpha_16_12.F ccsdtq_lr_alpha_16_1_3_1.F ccsdtq_lr_alpha_16_13_1.F ccsdtq_lr_alpha_16_13_2.F ccsdtq_lr_alpha_16_1_3.F ccsdtq_lr_alpha_16_13.F ccsdtq_lr_alpha_16_1_4_1.F ccsdtq_lr_alpha_16_14_1.F ccsdtq_lr_alpha_16_1_4.F ccsdtq_lr_alpha_16_14.F ccsdtq_lr_alpha_16_15_1_1.F ccsdtq_lr_alpha_16_15_1_2.F ccsdtq_lr_alpha_16_15_1.F ccsdtq_lr_alpha_16_15_2_1.F ccsdtq_lr_alpha_16_15_2.F ccsdtq_lr_alpha_16_15_3_1.F ccsdtq_lr_alpha_16_15_3.F ccsdtq_lr_alpha_16_15_4_1.F ccsdtq_lr_alpha_16_15_4_2.F ccsdtq_lr_alpha_16_15_4.F ccsdtq_lr_alpha_16_15_5_1.F ccsdtq_lr_alpha_16_15_5.F ccsdtq_lr_alpha_16_15_6_1.F ccsdtq_lr_alpha_16_15_6.F ccsdtq_lr_alpha_16_15.F ccsdtq_lr_alpha_16_16_1_1.F ccsdtq_lr_alpha_16_16_1.F ccsdtq_lr_alpha_16_16_2_1.F ccsdtq_lr_alpha_16_16_2.F ccsdtq_lr_alpha_16_16.F ccsdtq_lr_alpha_16_17_1_1.F ccsdtq_lr_alpha_16_17_1.F ccsdtq_lr_alpha_16_17_2_1.F ccsdtq_lr_alpha_16_17_2.F ccsdtq_lr_alpha_16_17.F ccsdtq_lr_alpha_16_18_1_1.F ccsdtq_lr_alpha_16_18_1_2.F ccsdtq_lr_alpha_16_18_1.F ccsdtq_lr_alpha_16_18_2_1.F ccsdtq_lr_alpha_16_18_2.F ccsdtq_lr_alpha_16_18_3_1.F ccsdtq_lr_alpha_16_18_3.F ccsdtq_lr_alpha_16_18_4_1.F ccsdtq_lr_alpha_16_18_4_2.F ccsdtq_lr_alpha_16_18_4.F ccsdtq_lr_alpha_16_18_5_1.F ccsdtq_lr_alpha_16_18_5.F ccsdtq_lr_alpha_16_18_6_1.F ccsdtq_lr_alpha_16_18_6.F ccsdtq_lr_alpha_16_18.F ccsdtq_lr_alpha_16_19_1_1.F ccsdtq_lr_alpha_16_19_1.F ccsdtq_lr_alpha_16_19_2_1.F ccsdtq_lr_alpha_16_19_2.F ccsdtq_lr_alpha_16_19.F ccsdtq_lr_alpha_1_6_1.F ccsdtq_lr_alpha_16_1.F ccsdtq_lr_alpha_16_20_1_1.F ccsdtq_lr_alpha_16_20_1_2.F ccsdtq_lr_alpha_16_20_1.F ccsdtq_lr_alpha_16_20_2_1.F ccsdtq_lr_alpha_16_20_2.F ccsdtq_lr_alpha_16_20_3_1.F ccsdtq_lr_alpha_16_20_3.F ccsdtq_lr_alpha_16_20_4_1.F ccsdtq_lr_alpha_16_20_4_2.F ccsdtq_lr_alpha_16_20_4.F ccsdtq_lr_alpha_16_20_5_1.F ccsdtq_lr_alpha_16_20_5.F ccsdtq_lr_alpha_16_20_6_1.F ccsdtq_lr_alpha_16_20_6.F ccsdtq_lr_alpha_16_20.F ccsdtq_lr_alpha_16_21_1_1.F ccsdtq_lr_alpha_16_21_1.F ccsdtq_lr_alpha_16_21_2_1.F ccsdtq_lr_alpha_16_21_2.F ccsdtq_lr_alpha_16_2_1.F ccsdtq_lr_alpha_16_21.F ccsdtq_lr_alpha_16_2_2.F ccsdtq_lr_alpha_1_6_2.F ccsdtq_lr_alpha_16_2.F ccsdtq_lr_alpha_16_3_1.F ccsdtq_lr_alpha_16_3_2.F ccsdtq_lr_alpha_1_6_3.F ccsdtq_lr_alpha_16_3.F ccsdtq_lr_alpha_16_4_1.F ccsdtq_lr_alpha_1_6_4.F ccsdtq_lr_alpha_16_4.F ccsdtq_lr_alpha_16_5_1.F ccsdtq_lr_alpha_16_5_2.F ccsdtq_lr_alpha_16_5.F ccsdtq_lr_alpha_16_6_1.F ccsdtq_lr_alpha_16_6_2.F ccsdtq_lr_alpha_16_6.F ccsdtq_lr_alpha_16_7_1.F ccsdtq_lr_alpha_16_7.F ccsdtq_lr_alpha_16_8_1.F ccsdtq_lr_alpha_16_8_2.F ccsdtq_lr_alpha_16_8_3_1.F ccsdtq_lr_alpha_16_8_3.F ccsdtq_lr_alpha_16_8_4_1.F ccsdtq_lr_alpha_16_8_4.F ccsdtq_lr_alpha_16_8.F ccsdtq_lr_alpha_16_9_1.F ccsdtq_lr_alpha_16_9_2.F ccsdtq_lr_alpha_16_9.F ccsdtq_lr_alpha_1_6.F ccsdtq_lr_alpha_16.F ccsdtq_lr_alpha_1_7_1.F ccsdtq_lr_alpha_17_1.F ccsdtq_lr_alpha_1_7_2.F ccsdtq_lr_alpha_1_7_3.F ccsdtq_lr_alpha_1_7.F ccsdtq_lr_alpha_17.F ccsdtq_lr_alpha_1_8_1.F ccsdtq_lr_alpha_1_8_2.F ccsdtq_lr_alpha_1_8.F ccsdtq_lr_alpha_1_9_1.F ccsdtq_lr_alpha_1_9.F ccsdtq_lr_alpha_1.F ccsdtq_lr_alpha_2_1.F ccsdtq_lr_alpha_2_2.F ccsdtq_lr_alpha_2_3.F ccsdtq_lr_alpha_2_4.F ccsdtq_lr_alpha_2.F ccsdtq_lr_alpha_3_1_1.F ccsdtq_lr_alpha_3_1_2.F ccsdtq_lr_alpha_3_1.F ccsdtq_lr_alpha_3_2_1.F ccsdtq_lr_alpha_3_2_2.F ccsdtq_lr_alpha_3_2.F ccsdtq_lr_alpha_3_3_1.F ccsdtq_lr_alpha_3_3_2.F ccsdtq_lr_alpha_3_3_3_1.F ccsdtq_lr_alpha_3_3_3.F ccsdtq_lr_alpha_3_3_4_1.F ccsdtq_lr_alpha_3_3_4.F ccsdtq_lr_alpha_3_3.F ccsdtq_lr_alpha_3_4_1.F ccsdtq_lr_alpha_3_4.F ccsdtq_lr_alpha_3_5_1.F ccsdtq_lr_alpha_3_5_2.F ccsdtq_lr_alpha_3_5_3_1.F ccsdtq_lr_alpha_3_5_3.F ccsdtq_lr_alpha_3_5_4_1.F ccsdtq_lr_alpha_3_5_4.F ccsdtq_lr_alpha_3_5.F ccsdtq_lr_alpha_3_6_1.F ccsdtq_lr_alpha_3_6.F ccsdtq_lr_alpha_3_7_1.F ccsdtq_lr_alpha_3_7.F ccsdtq_lr_alpha_3_8_1.F ccsdtq_lr_alpha_3_8.F ccsdtq_lr_alpha_3_9_1_1.F ccsdtq_lr_alpha_3_9_1.F ccsdtq_lr_alpha_3_9_2_1.F ccsdtq_lr_alpha_3_9_2.F ccsdtq_lr_alpha_3_9.F ccsdtq_lr_alpha_3.F ccsdtq_lr_alpha_4_1.F ccsdtq_lr_alpha_4_2.F ccsdtq_lr_alpha_4_3.F ccsdtq_lr_alpha_4.F ccsdtq_lr_alpha_5_10_1.F ccsdtq_lr_alpha_5_10_2.F ccsdtq_lr_alpha_5_10_3.F ccsdtq_lr_alpha_5_10.F ccsdtq_lr_alpha_5_11_1.F ccsdtq_lr_alpha_5_11_2.F ccsdtq_lr_alpha_5_11.F ccsdtq_lr_alpha_5_12_1.F ccsdtq_lr_alpha_5_12.F ccsdtq_lr_alpha_5_1.F ccsdtq_lr_alpha_5_2.F ccsdtq_lr_alpha_5_3.F ccsdtq_lr_alpha_5_4.F ccsdtq_lr_alpha_5_5_1.F ccsdtq_lr_alpha_5_5_2.F ccsdtq_lr_alpha_5_5_3.F ccsdtq_lr_alpha_5_5_4.F ccsdtq_lr_alpha_5_5.F ccsdtq_lr_alpha_5_6_1.F ccsdtq_lr_alpha_5_6_2.F ccsdtq_lr_alpha_5_6_3.F ccsdtq_lr_alpha_5_6_4.F ccsdtq_lr_alpha_5_6.F ccsdtq_lr_alpha_5_7_1.F ccsdtq_lr_alpha_5_7_2.F ccsdtq_lr_alpha_5_7_3.F ccsdtq_lr_alpha_5_7.F ccsdtq_lr_alpha_5_8_1.F ccsdtq_lr_alpha_5_8_2.F ccsdtq_lr_alpha_5_8.F ccsdtq_lr_alpha_5_9_1.F ccsdtq_lr_alpha_5_9.F ccsdtq_lr_alpha_5.F ccsdtq_lr_alpha_6_1.F ccsdtq_lr_alpha_6_2.F ccsdtq_lr_alpha_6_3.F ccsdtq_lr_alpha_6_4.F ccsdtq_lr_alpha_6.F ccsdtq_lr_alpha_7_1.F ccsdtq_lr_alpha_7_2.F ccsdtq_lr_alpha_7_3.F ccsdtq_lr_alpha_7.F ccsdtq_lr_alpha_8_1.F ccsdtq_lr_alpha_8.F ccsdtq_lr_alpha_9_1_1.F ccsdtq_lr_alpha_9_1_2.F ccsdtq_lr_alpha_9_1_3.F ccsdtq_lr_alpha_9_1_4.F ccsdtq_lr_alpha_9_1.F ccsdtq_lr_alpha_9_2_1.F ccsdtq_lr_alpha_9_2_2.F ccsdtq_lr_alpha_9_2_3.F ccsdtq_lr_alpha_9_2_4.F ccsdtq_lr_alpha_9_2.F ccsdtq_lr_alpha_9_3_1.F ccsdtq_lr_alpha_9_3_2.F ccsdtq_lr_alpha_9_3_3.F ccsdtq_lr_alpha_9_3.F ccsdtq_lr_alpha_9_4_1.F ccsdtq_lr_alpha_9_4_2.F ccsdtq_lr_alpha_9_4.F ccsdtq_lr_alpha_9_5_1.F ccsdtq_lr_alpha_9_5.F ccsdtq_lr_alpha_9_6_1.F ccsdtq_lr_alpha_9_6_2.F ccsdtq_lr_alpha_9_6_3.F ccsdtq_lr_alpha_9_6.F ccsdtq_lr_alpha_9_7_1.F ccsdtq_lr_alpha_9_7_2.F ccsdtq_lr_alpha_9_7.F ccsdtq_lr_alpha_9_8_1.F ccsdtq_lr_alpha_9_8.F ccsdtq_lr_alpha_9.F ccsdtq_lr_alpha.F converting ccsdtq_lr_alpha_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_23_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_22.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_23.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_24.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_25_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_25.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_26.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_27.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_28_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_28.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_29_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_29.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_30.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_31.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_32.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_33_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_33_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_33_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_33_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_33.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_34.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_35_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_35_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_35_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_35_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_35.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_36.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_37.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_38.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_5_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_39.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_40_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_40_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_40_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_40_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_40.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_41_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_41_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_41_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_41_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_41.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_42.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_43.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_44.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_45.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_46.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_47_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_47_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_47_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_47_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_47.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_4_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_48.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_49.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_50.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_51.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_52.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_53_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_53_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_53_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_53_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_53.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_4_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_54.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_55_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_55_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_55_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_55_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_55.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_13.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_14.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_15.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_16_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_17_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_17_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_17_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_18.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_19_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_19_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_19.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_20.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_21.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_16.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_17.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_10.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_11.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_12.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_7.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9_8.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha_9.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_lr_alpha.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' Making 64_to_32 in response make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 mm_input.F mm_bond.F mm_bond_coords.F mm_data.F mm_geom.F mm_link.F mm_vdw.F mm_vdw_coords.F converting mm_input.F to 32-bit integers for BLAS/LAPACK converting mm_bond.F to 32-bit integers for BLAS/LAPACK converting mm_bond_coords.F to 32-bit integers for BLAS/LAPACK converting mm_data.F to 32-bit integers for BLAS/LAPACK converting mm_geom.F to 32-bit integers for BLAS/LAPACK converting mm_link.F to 32-bit integers for BLAS/LAPACK converting mm_vdw.F to 32-bit integers for BLAS/LAPACK converting mm_vdw_coords.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 gibbs.F converting gibbs.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../basis -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 qmr_real.F dimqm_main.F CubicSpline.F dim_elfcon.F dim_elfder.F dim_tabcd.F qmr_complex.F qmr_seed_complex.F qmr_seed_real.F seeded_qmr_complex.F seeded_qmr_real.F seeded_qmr_real_augment.F converting qmr_real.F to 32-bit integers for BLAS/LAPACK converting dimqm_main.F to 32-bit integers for BLAS/LAPACK converting CubicSpline.F to 32-bit integers for BLAS/LAPACK converting dim_elfcon.F to 32-bit integers for BLAS/LAPACK converting dim_elfder.F to 32-bit integers for BLAS/LAPACK converting dim_tabcd.F to 32-bit integers for BLAS/LAPACK converting qmr_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_complex.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real_augment.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies 64_to_32 : no conversion necessary make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64_to_32 gw_init.F gw_vxc.F gw_ri_init.F gw_invdiag.F ga_chol_inv_seq.F gw_tools.F gw_minres.F cs_minres_qlp.F gw_cdgw.F gw_cdgw_buildiw.F gw_cdgw_buildrn_minres.F gw_cdgw_buildpi.F gw_cdgw_buildrn_graph.F gw_analytic.F gw_analytic_rpa.F converting gw_init.F to 32-bit integers for BLAS/LAPACK converting gw_vxc.F to 32-bit integers for BLAS/LAPACK converting gw_ri_init.F to 32-bit integers for BLAS/LAPACK converting gw_invdiag.F to 32-bit integers for BLAS/LAPACK converting ga_chol_inv_seq.F to 32-bit integers for BLAS/LAPACK converting gw_tools.F to 32-bit integers for BLAS/LAPACK converting gw_minres.F to 32-bit integers for BLAS/LAPACK converting cs_minres_qlp.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildiw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_minres.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildpi.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_graph.F to 32-bit integers for BLAS/LAPACK converting gw_analytic.F to 32-bit integers for BLAS/LAPACK converting gw_analytic_rpa.F to 32-bit integers for BLAS/LAPACK make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' No blas conversion done here make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' touch 64_to_32 ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 ./util/util_nwchem_version.bash /usr/bin/which: no git in (/usr/lib64/mpich/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin) Making libraries in include make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ echo Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/$dir ; \ (cd /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/$dir; /usr/bin/make include_stamp) ; \ done Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' Nothing to be done make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p geom.fh geomP.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p inp.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p pstat.fh pstat_consts.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in hdbm make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p hdbm.h /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p sym.fh ../NWints/auxil/spcartP.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in md5 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p checksum.h /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh util_maxlength.fh util_intsize.fh vtune.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p dist.fh yflop.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p bq.fh bq_params.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in simint make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in module make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Making include_stamp in source make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making include_stamp in api make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Making include_stamp in int make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p sh_order.fh case.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Making include_stamp in auxil make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p spcartP.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Making include_stamp in ints_sp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Making include_stamp in deriv make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p ../int/sh_order.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Making include_stamp in texas make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p screened_op.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Making include_stamp in ecp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p ecp_nwc.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Making include_stamp in hondo make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Making include_stamp in rel make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p rel_consts.fh rel_nwc.fh zora.fh modelpotential.fh x2c.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Making include_stamp in dk make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in fast make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p moints_stats.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./include -I./grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in include make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' Making include_stamp in input_dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Making include_stamp in scf_dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p dftps.fh dft_fdist.fh dft_conv.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Making include_stamp in scf_dft_cg make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Making include_stamp in so_dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Making include_stamp in coulomb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Making include_stamp in xc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /usr/lib64/mpich/include/ga-wapi.h: No such file or directory /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cat: /usr/lib64/mpich/include/ga-wapi.h: No such file or directory cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' Making include_stamp in util make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Making include_stamp in grid make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Making include_stamp in dftgrad make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Making include_stamp in lr_tddft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Making include_stamp in lr_tddft_grad make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Making include_stamp in zora make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Making include_stamp in spec make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Making include_stamp in rt_tddft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in matutils make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p matutils.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Making include_stamp in rtutils make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Making include_stamp in input make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Making include_stamp in init make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Making include_stamp in canorg make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Making include_stamp in propagators make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Making include_stamp in closedshell make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Making include_stamp in openshell make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Making include_stamp in libxc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib64/gfortran/modules -I. -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p libxc.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' Making include_stamp in x2c make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I../../ddscf -I../grid -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' cp -p ../ddscf/cosmo.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in deloc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Making include_stamp in mepgs make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Making include_stamp in tropt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Making include_stamp in neb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Making include_stamp in string make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in detci make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in analytic make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in dft make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' cp -p hess_info.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p prop.fh atomdata.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh cosmo_params.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies USE_OPENMP undefined USE_OPENMP undefined Making include_stamp in nwpwlib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in Parallel make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p stupid_mpi4.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Making include_stamp in D1dB make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Making include_stamp in D3dB make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Making include_stamp in Pneb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Making include_stamp in K1dB make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Making include_stamp in C1dB make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Making include_stamp in C3dB make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Making include_stamp in DMatrix make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Making include_stamp in CMatrix make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Making include_stamp in TMatrix make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Making include_stamp in control make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Making include_stamp in lattice make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Making include_stamp in io make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Making include_stamp in ion make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in shake make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' cp -p ../../nwpwlib/utilities/beom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making include_stamp in pseudopotential make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in paw_atom make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in utilities make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in paw_utilities make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' cp -p bafdecls.fh btdb.fh beom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making include_stamp in unitcell make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Making include_stamp in brillouin_zone make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Making include_stamp in fractional make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p frac_occ.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Making include_stamp in linesearch make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Making include_stamp in timing make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Making include_stamp in ewald make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Making include_stamp in thermostats make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Making include_stamp in MetaDynamics make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Making include_stamp in TAMD make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Making include_stamp in FMM make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Making include_stamp in md_xs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in FEFF6L make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making include_stamp in nwpwxc make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p nwpwxc.fh nwpwxc_param.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making include_stamp in libraryps make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Making include_stamp in pspw make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in lib make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in psi make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Making include_stamp in electron make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Making include_stamp in ke make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Making include_stamp in coulomb make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Making include_stamp in exchange-correlation make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in vdw-DF make[6]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[6]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making include_stamp in sic make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Making include_stamp in hfx make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Making include_stamp in ion make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Making include_stamp in psp make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Making include_stamp in Grsm_list make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Making include_stamp in aorbs make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Making include_stamp in truncating_function make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making include_stamp in kbpp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Making include_stamp in makepsi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Making include_stamp in cpsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Making include_stamp in cgsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Making include_stamp in analysis make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in APC make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making include_stamp in cell_optimize make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Making include_stamp in qmmm make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in pspw_LJ make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Making include_stamp in pspw_Q make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Making include_stamp in pspw_Pair make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Making include_stamp in mmq make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making include_stamp in charge make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Making include_stamp in dplot make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Making include_stamp in lcao make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Making include_stamp in paw make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in paw_geometry make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_geom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' Making include_stamp in paw_ma make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_ma.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Making include_stamp in paw_utils make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Making include_stamp in paw_basis make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_basis.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Making include_stamp in paw_proj make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_proj.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Making include_stamp in paw_matrix make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_comp_charge_matrix.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Making include_stamp in paw_ovlp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_ovlp_data.fh paw_ovlp.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Making include_stamp in paw_comp_charge make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_comp_charge_data.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Making include_stamp in paw_special_functions make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Making include_stamp in paw_gaunt make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_gaunt.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Making include_stamp in paw_kinetic make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Making include_stamp in paw_vloc make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_energy_vloc_atom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Making include_stamp in paw_ion_potential make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_energy_ion_atom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Making include_stamp in paw_core make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_energy_core_atom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Making include_stamp in paw_hartree make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include/ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_energy_hartree_atom.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Making include_stamp in paw_comp_pot make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Making include_stamp in paw_mult make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_mult_data.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Making include_stamp in paw_nonlocal make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Making include_stamp in paw_density make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Making include_stamp in paw_xc make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_xc.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Making include_stamp in paw_force make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p paw_force_data.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Making include_stamp in paw_Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Making include_stamp in paw_psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Making include_stamp in cpsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Making include_stamp in cgsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Making include_stamp in cell_optimize make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Making include_stamp in band make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in minimizer make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Making include_stamp in structure make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Making include_stamp in cpsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Making include_stamp in cell_optimize make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Making include_stamp in kbpp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Making include_stamp in makepsi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Making include_stamp in lib make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in cpsp make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Making include_stamp in ke make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Making include_stamp in coulomb make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Making include_stamp in electron make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Making include_stamp in psi make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Making include_stamp in hfx make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Making include_stamp in Grsm_list make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Making include_stamp in borbs make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making include_stamp in dplot make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Making include_stamp in analysis make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in APC make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making include_stamp in ofpw make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in minimizer make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Making include_stamp in cpsd make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Making include_stamp in lib make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in chi make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Making include_stamp in electron make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Making include_stamp in ke make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Making include_stamp in WGC make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in pfft1.0 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Making include_stamp in fftpack make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Making include_stamp in pfft make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making include_stamp in pfftwrap make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/python3.11 -I/usr/include/python3.11 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p nwmd_constants.fh md_common.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p ../util/util_params.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' /bin/sh: line 1: bc: command not found /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies /bin/sh: line 1: bc: command not found Making include_stamp in include make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' Making include_stamp in diis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Making include_stamp in diis2 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Making include_stamp in gradients make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Making include_stamp in ccsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Making include_stamp in ccsd_lambda make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Making include_stamp in eomccsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Making include_stamp in ccsd_t make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Making include_stamp in cr-eomccsd_t make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Making include_stamp in lrh make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Making include_stamp in emb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Making include_stamp in ccd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Making include_stamp in lccd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Making include_stamp in lccsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Making include_stamp in qcisd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Making include_stamp in cc3 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Making include_stamp in mbpt1 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Making include_stamp in mbpt2 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Making include_stamp in mbpt3 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Making include_stamp in mbpt4 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Making include_stamp in cis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Making include_stamp in cisd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Making include_stamp in cisdt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Making include_stamp in cisdtq make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Making include_stamp in ccsd_act make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Making include_stamp in eomccsd_act make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Making include_stamp in cr_eomccsd_t_act make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Making include_stamp in sort make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Making include_stamp in ducc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' Making include_stamp in ucc4 make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Making include_stamp in eaccsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' Making include_stamp in ipccsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' Making include_stamp in ccsdt_alpha_offdiag make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' Making include_stamp in ccsdt_alpha_new make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' Making include_stamp in ccsdt_yr make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' Making include_stamp in ccsdt_beta make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' Making include_stamp in ccsdt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Making include_stamp in ccsdt_lambda make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Making include_stamp in eomccsdt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Making include_stamp in ccsd_alpha make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Making include_stamp in ccsd_beta make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Making include_stamp in ccsd_yr make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Making include_stamp in response make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' Making include_stamp in ccsdtq make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' Making include_stamp in ccsdtq_lambda make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' Making include_stamp in eomccsdtq make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' Making include_stamp in ccsdtq_alpha_offdiag make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' Making include_stamp in response make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: 'include_stamp' is up to date. make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[2]: 'include_stamp' is up to date. make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p mm.fh mm_params.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[2]: 'include_stamp' is up to date. make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: 'include_stamp' is up to date. make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../basis -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p dimqm.fh dimqm_constants.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I./ -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies cp -p ../nwdft/include/cdft.fh ../nwdft/grid/cgridfile.fh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Making include_stamp in /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' touch include_stamp make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' Making libraries in basis make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' Compiling basis.F... basis.F:2081:62: 2057 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2081 | status = status .and. rtdb_put(rtdb,tmp,mt_dbl,nexcf,excfin(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). basis.F:1125:39: 1125 | & rtdb, tmp, mt_dbl, nexcf, dbl_mb(mb_exndcf(1,basis))) | 1 ...... 2722 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling bas_input.F... Compiling bas_contrib.F... Compiling bas_checksum.F... bas_checksum.F:45:43: 44 | call checksum_update(ltob, bas_spherical(basis)) | 2 45 | call checksum_update(itob*ndbs_head, infbs_head(1,basis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling basisP.F... Compiling bas_blas.F... Compiling bas_blasP.F... Compiling bas_vec_info.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' Making libraries in geom make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Compiling geom.F... geom.F:1105:11: 1101 | s = s .and. rtdb_put(rtdb, tmp, mt_int, 1, ncenter(geom)) | 2 ...... 1105 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:602:11: 357 | if (rtdb_get(rtdb, 'geometry:ngeom', mt_int, 1, ngeom_rtdb)) | 2 ...... 602 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:2406:30: 2406 | geom_isbq = inp_compare(0,tag,'bq') | 1 ...... 3409 | if (inp_compare(.false.,buf(1:4),elements(ind)(1:4))) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling geom_input.F... geom_input.F:361:57: 249 | if (.not. rtdb_put(rtdb, 'prop:ofinite',mt_log,1,ofinite)) | 2 ...... 361 | if (.not.rtdb_put(rtdb,'geom:istart',MT_INT,1,istart)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). geom_input.F:746:11: 706 | if (rtdb_get(rtdb, 'qcharge', MT_DBL, 1, qcharge)) then | 2 ...... 746 | D dont_verifygeom)) dont_verifygeom=.false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling geom_input2.F... Compiling geom_3d.F... Compiling geom_2d.F... Compiling geom_1d.F... Compiling geom_numcore.F... geom_numcore.F:106:51: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 106 | if(rtdb_get(rtdb, key, mt_int, num_elem, tagfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geom_numcore.F:111:54: 99 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 111 | if(rtdb_get(rtdb, key, mt_int, num_elem, numfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling geom_checksum.F... Compiling geom_print_ecce.F... Compiling geom_freeze.F... geom_freeze.F:54:49: 50 | if (rtdb_get(rtdb, a_name , MT_LOG, 1, status)) then | 2 ...... 54 | else if (rtdb_get(rtdb, c_name, MT_INT, 1, ncore)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling geom_fragment.F... Compiling geom_getsym.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Compiling geom_hnd.F... geom_hnd.F:4628:12: 4627 | 120 DO 260 NR=1,N2 | 2 4628 | IK=IA(NR+1)+NR | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) geom_hnd.F:5062:40: 5062 | 20 if (parallel) call ga_brdcst(323, status, | 1 ...... 5141 | if (parallel) call ga_brdcst(32, a, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Making libraries in inp make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Compiling c_inp.c... Compiling hnd_rdfree.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Compiling inp.F... inp.F:27:19: 27 | data xback /'\\'/ ! Backslash ... note backslash for cpp | 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) inp.F:1370:37: 1369 | do i = 1, 3*max_width+80+6 | 2 1370 | csave(i,save_level) = cdata(i) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1373:37: 1372 | do i = 1, 9+4*max_field | 2 1373 | isave(i,save_level) = idata(i) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) inp.F:1407:15: 1406 | do i = 1, 3*max_width+80+6 | 2 1407 | cdata(i) = csave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1410:15: 1409 | do i = 1, 9+4*max_field | 2 1410 | idata(i) = isave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) Compiling inp_irange.F... Compiling inp_ilist.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Making libraries in input make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' Compiling input_parse.F... Compiling input_mem.F... input_mem.F:66:33: 63 | call brdcst(Msg_HeapMem, heap_size, mitob1, 0) | 2 ...... 66 | call brdcst(Msg_StkMem, overify, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling memory_input.F... Compiling input_set.F... input_set.F:173:12: 170 | $ int_mb(i_values)) | 2 ...... 173 | $ dbl_mb(i_values)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling input_title.F... Compiling get_inp_file.F... Compiling memory_def.F... Compiling speech_input.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' Making libraries in pstat make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' Compiling pstat_init.F... Compiling pstat_term.F... Compiling pstat_alloc.F... Compiling pstat_on.F... Compiling pstat_off.F... Compiling pstat_pr_all.F... Compiling pstat_free.F... Compiling pstat_pr_han.F... Compiling pstat_pr_det.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' Making libraries in rtdb make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Compiling rtdb_f2c.c... Compiling rtdb.c... rtdb.c: In function 'rtdb_broadcast': rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] 91 | Integer type = msg_type; | ^~~~ rtdb.c: At top level: rtdb.c:179:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 179 | char* fname) | ~~~~~~^~~~~ In file included from rtdb.c:4: rtdb.h:145:38: note: previously declared as an array 'char[36]' 145 | extern int rtdb_getfname(const int, char [36]); | ^~~~~~~~~ Compiling rtdb_seq.c... rtdb_seq.c: In function 'ma_print': rtdb_seq.c:137:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 137 | nprint += fprintf(file, "%d ", ((Integer *) p)[i]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld rtdb_seq.c: At top level: rtdb_seq.c:1192:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 1192 | char* fname) | ~~~~~~^~~~~ In file included from rtdb_seq.c:42: rtdb.h:166:42: note: previously declared as an array 'char[36]' 166 | extern int rtdb_seq_getfname(const int, char [36]); | ^~~~~~~~~ Compiling context.c... context.c:135:13: warning: 'context_print' defined but not used [-Wunused-function] 135 | static void context_print() | ^~~~~~~~~~~~~ Compiling context_f2c.c... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Making all in hdbm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' Compiling hdbm.c... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a hdbm.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Making libraries in task make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' Compiling task_energy.F... task_energy.F:284:59: 281 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 284 | if (.not.rtdb_get(rtdb,'dft:which_mp2',mt_int,1,which_mp2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_energy.F:68:57: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_energy.F:151:57: 151 | if (.not. rtdb_put(rtdb, 'task:energy', mt_dbl, 1, energy)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:160:58: 160 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:163:59: 163 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling task_gradient.F... task_gradient.F:560:50: 320 | $ numerical)) numerical = .false. | 2 ...... 560 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_gradient.F:66:57: 66 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 567 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl,3,dipole(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_optimize.F... task_optimize.F:160:63: 123 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 160 | if (.not. rtdb_put(rtdb,'driver:modsad',mt_int, 1, 0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling task_freq.F... task_freq.F:131:58: 63 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_hessian.F... task_hessian.F:246:53: 180 | if (.not. rtdb_get(rtdb,'bsse',mt_log,1,task_bsse)) | 2 ...... 246 | if (.not.rtdb_get(rtdb,'xtb:verb',mt_int,1,verb)) verb=1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_hessian.F:247:53: 184 | if (.not. rtdb_put(rtdb,'bsse',mt_log,1,.false.)) | 2 ...... 247 | if (.not.rtdb_put(rtdb,'xtb:verb',mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling task_dynamics.F... task_dynamics.F:94:61: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 94 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_thermo.F... task_thermo.F:80:61: 59 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 80 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_et.F... task_et.F:46:57: 40 | if (.not. rtdb_put(rtdb, 'task:et', mt_dbl, 1, Vba)) | 2 ...... 46 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, status)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_save_state.F... Compiling task.F... task.F:180:50: 180 | if (rtdb_get(rtdb, 'task:debug', mt_log, 1, odebug)) | 1 ...... 582 | if (.not.rtdb_get(rtdb,'task:shell range',mt_int,3,range)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling task_input.F... Compiling task_shell_input.F... Compiling task_num_grad.F... task_num_grad.F:285:52: 185 | if (.not.rtdb_get(rtdb,'gradient:usegroups',MT_LOG,1,use_groups)) | 2 ...... 285 | if (.not. rtdb_get(rtdb, ename, mt_dbl, 1, eref)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_num_grad.F:506:58: 467 | if (.not. rtdb_put(rtdb, gname, mt_dbl, natoms3, dbl_mb(k_grad))) | 2 ...... 506 | if (.not. rtdb_put(rtdb,'scf:converged',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_vscf.F... task_vscf.F:98:52: 72 | if (.not. rtdb_get(rtdb,'vscf:freq_done',mt_log,1,freq_done)) | 2 ...... 98 | if (.not. rtdb_get(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_vscf.F:156:58: 58 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 156 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_property.F... Compiling task_dntmc.F... task_dntmc.F:77:61: 61 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 77 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_bsse.F... task_bsse.F:452:51: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 452 | if (.not. rtdb_put(rtdb,'charge',mt_dbl,1,charge)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). task_bsse.F:587:49: 424 | if (.not. rtdb_get(rtdb,'bsse:first_j',mt_log,1,first_j)) | 2 ...... 587 | if (.not.rtdb_get( rtdb, ctmp, mt_int, 1, natoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_bsse.F:550:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 550 | if (.not. rtdb_put( rtdb, ctmp, mt_int, nmon, mon_atm )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_bsse.F:554:62: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 554 | if (.not. rtdb_put( rtdb, ctmp, mt_int,mx_atm*mx_atm, mon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) task_bsse.F:562:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 562 | if (.not. rtdb_put( rtdb, ctmp, mt_int ,nmon, mmon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling task_jefftce.F... Compiling task_ncc.F... Compiling task_rfcf.F... task_rfcf.F:117:61: 80 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 117 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_gwmol.F... task_gwmol.F:82:53: 74 | if (rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 82 | if (.not.rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_gwmol.F:131:58: 41 | if (.not. rtdb_put( rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cputime)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o task_gwmol.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' Making libraries in symmetry make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Compiling dosymops.F... Compiling gensym.f... Compiling gensym_extra.F... gensym_extra.F:59:10: 59 | if (lgth.gt.0) then | ^ Warning: 'lgth' is used uninitialized [-Wuninitialized] gensym_extra.F:32:22: 32 | integer iop,lgth,unitf,print_level,i,j | ^ note: 'lgth' was declared here Compiling sym_vec_sym.F... Compiling ludcmp.F... Compiling mprint.f... Compiling opprint.f... Compiling sym_put_geom.F... Compiling spgen.F... Compiling sym_map.F... Compiling sym_nwc.F... Compiling sym_apply_op.F... Compiling sym_get_cart.F... Compiling sym_grp_name.F... Compiling sym_ap_cart.F... Compiling sym_cent_map.F... Compiling sym_num_ops.F... Compiling sym_ops_get.F... Compiling sym_op_get.F... Compiling sym_pr_all.F... Compiling sym_geom_prj.F... Compiling cross_prod.F... Compiling sym_op_cname.F... Compiling sym_pr_ops.F... Compiling deter3.F... Compiling sym_op_clsfy.F... Compiling sym_tr_bs_op.F... Compiling sym_bs_irrep.F... Compiling sym_op_type.F... Compiling sym_char_tab.F... Compiling sym_pr_ctab.F... Compiling sym_inv_op.F... Compiling sym_mo_adapt.F... sym_mo_adapt.F:324:30: 323 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 324 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_g_sym.F... Compiling wrcell.F... Compiling dctr.f... Compiling sym_irrepname.F... Compiling sym_abelian.F... Compiling sym_mol.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Compiling sym_sym.F... Compiling sym_mo_ap_op.F... Compiling sym_bas_op.F... Compiling sym_bs_ir_id.F... Compiling sym_sh_pair.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_op_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Making libraries in util make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Compiling output.f... Compiling errquit.F... Compiling ffflush.F... Compiling print_center.F... Compiling util_flush.F... Compiling util_sgroup.F... util_sgroup.F:168:54: 166 | if(.not.rtdb_put(rtdb,'dft:largenode',mt_log,1,.true.)) | 2 167 | & call errquit('util_sggo: rtdb_put nodisk failed',1,RTDB_ERR) 168 | if (.not. rtdb_put(rtdb, 'dft:noio', mt_int, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling util_host.c... Compiling util_date.c... Compiling input_echo.F... Compiling util_transpose.F... Compiling ga_iter_diag.F... Compiling ga_maxelt.F... Compiling nga_idamax.F... Compiling ga_pcg_min.F... Compiling line_search.F... Compiling ga_orth_vec.F... Compiling ga_ran_fill.F... ga_ran_fill.F:40:53: 35 | call ga_put(g_a, ibot, itop, j, j, buf, bufsiz) | 2 ...... 40 | call ga_put(g_a, ibot, itop, j, j, zbuf, bufsiz) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling ga_mix.F... Compiling ga_list.F... Compiling ga_it_proj.F... Compiling ga_screen.F... Compiling ga_get_diag.F... Compiling fortchar.c... fortchar.c: In function 'fcrcv_': fortchar.c:125:47: warning: array subscript 256 is above array bounds of 'char[256]' [-Warray-bounds] 125 | } while ( clength == lenbuf && cstring[clength] != '\0'); | ~~~~~~~^~~~~~~~~ fortchar.c:106:10: note: while referencing 'cstring' 106 | char cstring[FC_MAXLEN]; | ^~~~~~~ Compiling seq_output.F... Compiling ga_mat2col.F... Compiling util_ch_brd.F... util_ch_brd.F:35:42: 31 | call ga_brdcst(type, ls, mitob1, origin) | 2 ...... 35 | if (ls .gt. 0) call ga_brdcst(type, c, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling two_ind_trn.F... Compiling util_pname.F... Compiling sread.F... Compiling swrite.F... swrite.F:17:62: 17 | if (left.ne.0) call errquit('swrite: left .ne. 0',left, DISK_ERR) | 1 ...... 25 | 20 call errquit('sswrit: error writing to unit ', itape, DISK_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). Compiling banner.f... Compiling util_print.F... Compiling util_module_avail.F... cp util_v_stub.F util_version.F Compiling util_version.F... Compiling util_nwchem_version.F... ./util_ga_version.bash Compiling util_ga_version.F... Compiling util_nwchem_paper.F... Compiling util_nwchem_srcdir.F... Compiling utilc_nwchem_srcdir.c... Compiling mk_fit_xf.F... Compiling int_2c_ga.F... Compiling ma_solve.F... Compiling ga_local_mdot.F... ga_local_mdot.F:148:36: 63 | call dfill(nva*nvb, 0.0d0, dbl_mb(k_work), 1) | 2 ...... 148 | call dfill(nva*nvb, 0.0d0, dcpl_mb(k_work), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_cpusec.F... Compiling util_wallsec.F... Compiling gather.f... Compiling scatter.f... Compiling ga_trace_dg.F... Compiling lcopy.f... Compiling util_legal.F... Compiling util_file_name.F... Compiling util_io_unit.F... Compiling util_speak.c... Compiling util_rtdb_speak.F... Compiling util_file_copy.c... util_file_copy.c: In function 'util_file_parallel_copy': util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~~~ Compiling util_file_unlink.c... Compiling util_system.c... Compiling util_sleep.c... Compiling util_rtdb_state.F... Compiling ecce_print.c... Compiling util_random.F... Compiling util_job.F... Compiling util_getenv.F... Compiling util_getarg.F... Compiling util_nwchemrc.F... Compiling util_md.F... util_md.F:118:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 118 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:184:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 184 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:257:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 257 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:323:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 323 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... Compiling indint.F... Compiling util_wall_remain.c... Compiling ga_normf.F... Compiling corr_mk_ref.F... corr_mk_ref.F:384:14: 156 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 384 | $ NFrzVir) ) Then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nw_inp_from_file.F... Compiling bgj.F... bgj.F:399:60: 69 | & 1, itype)) then | 2 ...... 399 | if(.not.rtdb_get(bgj_rtdb,'dft:dontcare',mt_log, 1,dontcare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling movecs_ecce.F... movecs_ecce.F:122:38: 120 | call ecce_print1(ceval, mt_dbl, eval, nmo) | 2 121 | call ecce_print1(cocc, mt_dbl, occ, nmo) 122 | call ecce_print1(csym, mt_int, sym, nmo) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling get_density.F... Compiling moeig_read.F... moeig_read.F:69:45: 67 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 68 | if (ok .eq. 1) then 69 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_debug.c... Compiling util_erf.F... Compiling util_cflush.c... Compiling util_ascii_plot.F... Compiling util_length_scale.F... Compiling ga_it2.F... ga_it2.F:969:55: 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 ...... 969 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, za, maxmaxsub) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:993:51: 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 ...... 993 | $ call ga_get(g_c, 1, nsub-1, 1, 1, zc, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:994:32: 988 | call ga_brdcst(1, c, mdtob_nsub1, 0) | 2 ...... 994 | call ga_brdcst(1, zc, 2*mdtob_nsub1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1022:36: 1009 | call ga_add_patch( c(isub), g_y, 1, n, isub, isub, | 2 ...... 1022 | call ga_add_patch( zc(isub), g_y, 1, n, isub, isub, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1039:35: 923 | call ga_scale(g_delta, mone) | 2 ...... 1039 | call ga_scale(g_delta, trust/rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_it2.F:124:53: 124 | call ga_get(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:126:53: 126 | call ga_put(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1286:55: 472 | if (.not.rtdb_get(rtdb,'cphf:acc',mt_dbl,1,acc)) acc=1d-4*tol | 2 ...... 1286 | if (.not.rtdb_get(rtdb,'solver:restart',mt_int,1,restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ga_it2.F:189:41: 189 | call ga_put(g_a, i, i, i, i, 0.5*dble(i), 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1324:60: 596 | if (.not. rtdb_put(rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 1324 | if (.not. rtdb_put(rtdb, 'solver:restart', MT_int, 1, restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling ga_lkain_ext.F... Compiling ma_print.F... Compiling freeze_input.F... freeze_input.F:83:51: 59 | if (.not. rtdb_put(rtdb, key, mt_log, 1, .true.)) | 2 ...... 83 | if(.not. rtdb_put(rtdb, key, mt_int, 1, num_elem)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ga_extra.F... ga_extra.F:52:47: 44 | call ga_get(g_a, i, i, j, j, number, 1) | 2 ...... 52 | call ga_get(g_a, i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_extra.F:54:46: 46 | call ga_put(g_a,i, i, j, j, number, 1) | 2 ...... 54 | call ga_put(g_a,i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_test.F... Compiling util_ga_test.F... util_ga_test.F:1198:35: 1198 | call ga_get(g_a, 1, n, 1, n, b, n) | 1 ...... 1560 | call ga_get(g_a, 1, n, 1, n, b, n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:1232:52: 1232 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 1 ...... 1594 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:891:52: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:891:68: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:975:25: 975 | call ga_scale(g_a, factor) | 1 ...... 1818 | call ga_scale(g_a, 0.123) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1012:29: 1012 | call ga_gather(g_a, v, iv, jv, m) | 1 ...... 1870 | call ga_gather(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1044:30: 1044 | call ga_scatter(g_a, v, iv, jv, m) | 1 ...... 1903 | call ga_scatter(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:18: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:38: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). Compiling util.c... Compiling util_patch_test.F... util_patch_test.F:626:42: 626 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 1 ...... 1115 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:629:38: 629 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 1 ...... 1118 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:649:33: 649 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 1 ...... 1138 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:785:60: 785 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 1 ...... 1275 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:821:24: 821 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 1 ...... 1312 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:822:25: 822 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 1 ...... 1313 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:403:36: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). util_patch_test.F:403:41: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling util_ndim_test.F... Compiling util_perf_test.F... Compiling util_test_lu.F... Compiling util_test_eig.F... Compiling util_dra_test.F... util_dra_test.F:101:38: 101 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 1 ...... 236 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:18: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:26: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling util_eaf_test.F... util_eaf_test.F:371:30: 190 | $ DMAP(iter), | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:371:38: 191 | $ buf(1), buf_sz)) | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). util_eaf_test.F:387:29: 219 | $ DMAP(iter), | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:387:37: 220 | $ buf2(1), buf_sz)) | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_sf_test.F... Compiling ga_lkain_2cpl3.F... ga_lkain_2cpl3.F:111:34: 95 | & converge_precond)) | 2 ...... 111 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ga_lkain_2cpl3.F:1259:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1259 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1275:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1275 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1301:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1301 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1025:14: 1025 | if (debug1) then | ^ Warning: 'debug1' may be used uninitialized [-Wmaybe-uninitialized] ga_lkain_2cpl3.F:602:20: 602 | logical debug1 | ^ note: 'debug1' was declared here Compiling util_io.F... Compiling util_xyz.F... Compiling util_ma.F... Compiling util_mpinap.c... Compiling ga_lkain_2cpl3_ext.F... ga_lkain_2cpl3_ext.F:5289:72: 5289 | & 'getdiffs_Az1z1: failed op ne +1 or -1') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:5297:72: 5297 | call errquit('getdiffs_Az1z1: failed nsub lt 6') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:2495:44: 2495 | call ga_get(g_xr1,1,n2,ivec,ivec,dbl_mb(k_x),1) | 1 ...... 5811 | call ga_get(g_b,i,i,1,nvec,dcpl_mb(k_z),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:2363:53: 2363 | call ga_put(g_Ax1,idat ,idat ,ivec1,ivec1,val_re,1) | 1 ...... 6197 | call ga_put(g_a,i,i,j,j,number,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6128:27: 5698 | call ga_add_patch(one_cmplx,g_zr1,1,n1,1,nvec, | 2 ...... 6128 | call ga_add_patch(one,g_xr1 ,m1,m2,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6129:27: 5699 | $ one_cmplx,g_z1 ,1,n1,p1,p2, | 2 ...... 6129 | $ one,g_x(ipm),1 ,n ,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:123:34: 107 | & converge_precond)) | 2 ...... 123 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling util_dgeev.F... Compiling util_nwsort.F... Compiling util_mygabcast.c... Compiling util_getppn.c... Compiling util_units.F... Compiling util_align.F... Compiling util_intrsc2008.F... Compiling util_fadvise.c... ./util_scalapack_info.bash Compiling util_scalapack_info.F... Compiling ga_conjg.F... Compiling nwmolden.F... Compiling ao_1prdm_read.F... Compiling ao_1prdm_write.F... Compiling util_strips.F... Compiling util_poltensor.F... Compiling util_mygop.F... Compiling util_isnan.c... Compiling util_blasthreads.F... Compiling util_gpu_affinity.F... Compiling util_scalapack.F... Compiling util_norm2.F... Compiling util_dpofa.F... Compiling util_dgedi.F... Compiling linux_cpu.c... Compiling linux_shift.F... Compiling linux_random.c... Compiling erfc.c... Compiling linux_printaff.c... Compiling linux_setfpucw.c... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich > dependencies Compiling ga_matpow.F... Compiling util_pack.F... util_pack.F:134:28: 77 | call ifill(ndo, 0, unpacked(i1-base), 1) | 2 ...... 134 | call ifill(ndo, 0, unpacked(i2-base), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/INTEGER(1)). Compiling dabssum.F... Compiling dabsmax.F... Compiling dfill.F... Compiling ifill.f... Compiling mabyte_fill.F... Compiling zfill.f... Compiling ga_it_lsolve.F... ga_it_lsolve.F:235:72: 235 | convg_ratio = rnorm/rnorm_prev | ^ Warning: 'rnorm_prev' may be used uninitialized [-Wmaybe-uninitialized] ga_it_lsolve.F:77:40: 77 | double precision rnorm, rnorm_prev, bnorm, convg_ratio | ^ note: 'rnorm_prev' was declared here Compiling ga_it_orth.F... Compiling ga_orthog.F... Compiling idamin.f... Compiling util_jacobi.F... Compiling util_rsg.f... util_rsg.f:146:13: 146 | if (dabs(e2(l)) .le. dabs(c/h)) go to 210 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:26: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'c' was declared here util_rsg.f:139:72: 139 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:24: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'b' was declared here util_rsg.f:325:72: 325 | 60 b(j,i) = x / y | ^ Warning: 'y' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:256:26: 256 | double precision x,y | ^ note: 'y' was declared here Compiling stpr_sjacobi.F... Compiling util_memcpy.c... Compiling ga_accback.c... Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... nxtask.F:125:72: 125 | end | ^ Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] nxtask.F:36:30: 36 | integer function nxtask0(nproc, ichunk, skipfirst) | ^ note: '__result_nxtask0' was declared here nxtask.F:36:30: Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] Compiling util_mirror.F... util_mirror.F:24:23: 24 | call nga_inquire(g_a, type, ndim, dims) | 1 ...... 85 | call nga_inquire(g_a, type, ndim, dims) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_copy_dz.F... Compiling dgami.f... dgami.f:351:72: 351 | DCSEVL = 0.5D0*(B0-B2) | ^ Warning: 'b2' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:327:33: 327 | DOUBLE PRECISION B0, B1, B2, CS(*), ONEPL, TWOX, X, D1MACH | ^ note: 'b2' was declared here dgami.f:937:10: 937 | 20 IF (I .EQ. NOS) CALL XERMSG ('SLATEC', 'INITDS', | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:932:9: 932 | I = NOS + 1 - II | ^ note: 'i' was declared here dgami.f:874:72: 874 | IF (X.GT.0.D0) RETURN | ^ Warning: '__result_dlngam' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:817:38: 817 | DOUBLE PRECISION FUNCTION DLNGAM (X) | ^ note: '__result_dlngam' was declared here Compiling util_eri_cholesky.F... Compiling util_test_cholesky.F... Compiling util_sillysort.F... Compiling util_talker.c... util_talker.c: In function 'util_talker_': util_talker.c:23:19: warning: unused variable 'valread' [-Wunused-variable] 23 | int sock = 0, valread; | ^~~~~~~ Compiling icopy.f... Compiling dsum.f... Compiling dgefa.f... Compiling zsum.f... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Making all in md5 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' Compiling md5wrap.c... md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] 116 | static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) | ^~~~~~~~~~~~~~~~~~~~~~ Compiling md5.c... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a md5wrap.o md5.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ma_solve.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o util_blasthreads.o util_gpu_affinity.o util_scalapack.o util_norm2.o util_dpofa.o util_dgedi.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Making libraries in peigs make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' (/usr/bin/make lib ) || exit 1 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' (cd ./src/c; /usr/bin/make) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory Compiling clustrfix.c... clustrfix.c: In function 'clustrfix_': clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 139 | DoublePrecision eps, xj1, xj2; | ^~~ clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 134 | Integer me; | ^~ clustrfix.c:128:23: warning: variable 'num_all_cls' set but not used [-Wunused-but-set-variable] 128 | Integer j, num_cls, num_all_cls; | ^~~~~~~~~~~ clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] 127 | Integer jblk, nblk; | ^~~~ clustrfix.c: At top level: clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] 62 | static Integer clustr_check(c1, cn, imin, imax) | ^~~~~~~~~~~~ Compiling mgscs.c... mgscs.c: In function 'mgscs': mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pscale.c... pscale.c: In function 'pscale_': pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~~~ pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~ pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~ pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~~~~ Compiling clustrxx5.c... clustrxx5.c: In function 'clustrinv5_': clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~ Compiling clustrxx4.c... clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 84 | DoublePrecision eps; | ^~~ clustrxx4.c:78:23: warning: variable 'Zvec' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~~~ Compiling pstein4.c... Compiling pstein5.c... pstein5.c: In function 'pstein5': pstein5.c:232:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pstein5.c:232:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pstein5.c:300:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pstein5.c:300:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pstein5.c:444:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~ | | | Integer {aka long int} pstein5.c:444:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~ | | | Integer {aka long int} pstein5.c:444:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~~~ | | | Integer {aka long int} Compiling peigs_dlasq1.c... peigs_dlasq1.c: In function 'peigs_dlasq1': peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 33 | printf(" error in ylasq1 info = %d \n", *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 34 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 37 | fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); | ~^ ~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 12 | Integer i, j, iii, me, nproc; | ^~~~~ peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] 39 | fflush(file); | ^~~~~~~~~~~~ peigs_dlasq1.c:38:5: note: call to 'fclose' here 38 | fclose(file); | ^~~~~~~~~~~~ Compiling b_ortho.c... b_ortho.c: In function 'b_ortho': b_ortho.c:190:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling chol_bcst.c... chol_bcst.c: In function 'chol_pipe_bcast': chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 97 | Integer *junk, k, isize; | ^~~~~ Compiling choleski9.c... choleski9.c: In function 'sub_chol0': choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~ choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~~~ Compiling ci_entry.c... ci_entry.c: In function 'ci_entry': ci_entry.c:122:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 122 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:145:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 145 | printf("PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_entry_': ci_entry.c:231:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 231 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:254:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 254 | printf( "PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_size_': ci_entry.c:321:20: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:56: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:68: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:335:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 335 | printf(" Peigs: ci_size_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'fil_mapvec_': ci_entry.c:396:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 396 | printf(" Peigs: fil_mapvec_ node %d : first argument is NULL \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:397:19: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 397 | printf("me = %d fil_mapvec_ \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:60: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:403:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 403 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:408:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 408 | printf(" Peigs: fil_mapvec_ node %d : 2nd argument is NULL i\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:409:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 409 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:413:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem second argument is invalid \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:414:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 414 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:418:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 418 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:420:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 420 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:427:42: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 427 | printf(" Peigs: fil_mapvec_ node %d : 3rd argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:428:28: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 428 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:432:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:433:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 433 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:435:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 435 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:444:23: warning: the comparison will always evaluate as 'false' for the pointer operand in 'mapvec + (sizetype)((long unsigned int)k * 8)' must not be NULL [-Waddress] 444 | if ( mapvec + k == NULL ) { | ^~ ci_entry.c:446:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 446 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:447:30: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 447 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld Compiling conjug22.c... conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] 95 | Integer *iscrat, *mapvecA, *mapvecB, *iptr; | ^~~~ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 94 | Integer i, me, nvecsA, nvecsB, linfo, id; | ^~~~~ Compiling de_sym.c... de_sym.c: In function 'un_load': de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] 250 | Integer indx, jndx, j, k, icount; | ^~~~~~ Compiling exit.c... exit.c: In function 'g_exit2_': exit.c:78:35: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 78 | fprintf(stderr, "G_EXIT2: Node %d Error. A routine called g_exit2_, \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:79:65: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 79 | fprintf(stderr, "Message from calling routine: %s node id = %d \n", array, me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c: In function 'g_exit_': exit.c:151:36: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 151 | fprintf(stderr, "G_EXIT: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:41: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:51: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling exit2.c... exit2.c: In function 'l_exit_': exit2.c:61:39: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit2.c:61:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling forLL.c... Compiling forLU.c... Compiling gmax.c... Compiling inverse.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 91 | Integer *junk, *ptr, k, isize; | ^~~~~ inverse.c: In function 'inverseL': inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] 225 | Integer length; | ^~~~~~ Compiling lu_mxm2.c... Compiling mapdif.c... mapdif.c: In function 'mapdif_': mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 77 | Integer me; | ^~ Compiling mapdif1.c... mapdif1.c: In function 'mapdif1_': mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 79 | Integer me; | ^~ Compiling matmax.c... Compiling mdif2b.c... Compiling mdiff1.c... Compiling mdiff2.c... Compiling memreq.c... memreq.c: In function 'memreq_': memreq.c:181:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 181 | fprintf(stderr, " me = %d error in mapB in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:197:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 197 | fprintf(stderr, " me = %d error in mapZ in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:109:59: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 109 | Integer nvecsA, nvecsQ, nvecsQ_max, nvecsZ, nvecsZ_max, nvecsB; | ^~~~~~ memreq.c:105:32: warning: variable 'ptr_mxm25' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:105:21: warning: variable 'ptr_tred2' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:104:30: warning: variable 'ptr_clustrinv' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~~~~~~~ memreq.c:104:21: warning: variable 'ptr_mgs' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~ memreq.c:103:58: warning: variable 'ptr_inv_it' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:45: warning: variable 'ptr_clustrf' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~~ memreq.c:103:33: warning: variable 'ptr_pstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:21: warning: variable 'ptr_dstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:100:41: warning: variable 'd_clustrf' set but not used [-Wunused-but-set-variable] 100 | d_dstebz, d_pstebz, d_clustrf, d_inv_it, | ^~~~~~~~~ Compiling memreq_f.c... memreq_f.c: In function 'fmemreq_': memreq_f.c:168:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 168 | fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling mgs5.c... Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... ortho.c: In function 'ortho': ortho.c:162:44: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho.c:162:54: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho.c:162:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling pdspev_c.c... pdspev_c.c: In function 'pdspev': pdspev_c.c:287:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:287:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~~~~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:315:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:315:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:341:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:341:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:357:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 357 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:382:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 382 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 206 | iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, | ^~~~~ Compiling pdspevx.c... pdspevx.c: In function 'pdspevx': pdspevx.c:353:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 353 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:455:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:455:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:482:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:482:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:498:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 498 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:523:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 523 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:937:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:937:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] 289 | Integer iscale; | ^~~~~~ pdspevx.c:288:54: warning: variable 'anrm' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:48: warning: variable 'rmax' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:42: warning: variable 'rmin' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~ pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] 278 | DoublePrecision fnormA; | ^~~~~~ pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~~ pdspevx.c:268:7: warning: variable 'mapZ_0' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~ pdspevx.c:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] 267 | isize, nZ2, | ^~~ pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 266 | nproc, itmp, | ^~~~~ Compiling pdspgv_c.c... pdspgv_c.c: In function 'pdspgv': pdspgv_c.c:319:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_c.c:319:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:352:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:352:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:386:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:386:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:406:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 406 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:432:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 229 | Integer i, j, k, isize, msize, me, nproc; | ^~~~~ Compiling pdspgvx.c... pdspgvx.c: In function 'pdspgvx': pdspgvx.c:422:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx.c:422:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:466:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgvx.c:466:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:512:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgvx.c:512:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:532:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 532 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:557:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 557 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:38: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:61: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling pdsptri.c... pdsptri.c: In function 'pdsptri': pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdsptri.c:534:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling peigs_cmod.f... Compiling pipe_fut.c... pipe_fut.c: In function 'pipe_bcst_fut_col': pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 85 | Integer *junk, *ptr, k, isize; | ^~~~~ Compiling pmmLSL.c... pmmLSL.c: In function 'pmmLSL': pmmLSL.c:92:64: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 92 | Integer i, k, me, isize, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmLUL.c... pmmLUL.c: In function 'pmmLUL': pmmLUL.c:96:73: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 96 | Integer i, k, me, isize, isize0, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ Compiling pmmlsl2.c... pmmlsl2.c: In function 'pmmlsl2': pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; | ^~~~~~~ pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 90 | Integer me, isize, indx, nvecsA, nvecsB; | ^~~~~~ Compiling pxerbla.c... pxerbla.c: In function 'pxerbla2_': pxerbla.c:128:37: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 128 | fprintf(stderr, "PXERBLA: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling qsort.c... Compiling resid.c... Compiling residual.c... Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision safeulp; | ^~~~~~~ Compiling sonenorm.c... Compiling soort.c... Compiling sort.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] 43 | Integer i, j, *k; | ^ Compiling sorteig.c... sorteig.c: In function 'sorteig': sorteig.c:61:27: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 61 | Integer me, naproc, nvecsZ, indx, jj, isaved, jlast, itmp, | ^~~~~~ Compiling tred22.c... tred22.c: In function 'tred2': tred22.c:328:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 328 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld tred22.c:354:43: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 354 | sprintf(msg, "TRED22:Error in argument %d \n", linfo); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling treesort3.c... treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] 109 | Integer *junk, k, num_indx; | ^~~~ Compiling tresid.c... tresid.c: In function 'tresid': tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] 118 | DoublePrecision t, derror, normA, ulp, dumb; | ^~~~ Compiling util.c... Compiling xerbla.c... xerbla.c: In function 'xerbla': xerbla.c:45:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 45 | fprintf(stdout, " processor %d \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld xerbla.c:46:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 46 | fprintf(stdout, " ** On entry to %s parameter number %d had an illegal value or pointer \n", | ~^ | | | int | %ld 47 | string, *info ); | ~~~~~ | | | Integer {aka long int} Compiling mapchk.c... mapchk.c: In function 'mapchk_': mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] 59 | for (indx = 0; indx < *n; indx++ ) | ^~~ mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' 64 | iptr++; | ^~~~ Compiling pdiff.c... pdiff.c: In function 'pdiff': pdiff.c:104:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 104 | fprintf( stderr, " Error in pdiff. me = %d not in proclist. \n", me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdiff.c:131:58: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~ | | | Integer {aka long int} pdiff.c:131:65: warning: format '%d' expects argument of type 'int', but argument 6 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~~~~~~~~ | | | Integer {aka long int} Compiling pgexit.c... pgexit.c: In function 'pgexit': pgexit.c:85:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 85 | fprintf( stderr, " %s me = %d exiting via pgexit. \n", msg, mxmynd_() ); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld Compiling reducemap.c... Compiling pstebz10.c... pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 244 | DoublePrecision eps, tmp; | ^~~ pstebz10.c:229:24: warning: variable 'safemn' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~~~~ pstebz10.c:229:19: warning: variable 'ulp' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~ pstebz10.c:226:11: warning: variable 'j' set but not used [-Wunused-but-set-variable] 226 | Integer j, i, i1split, jsplit, blksz; | ^ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 225 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz10.c:512:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:224:13: note: 'nlow' was declared here 224 | iii, m, nlow, me, nn_procs, | ^~~~ pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:223:5: note: 'nhigh' was declared here 223 | nhigh, numeig, isize, linfo, | ^~~~~ Compiling pstebz11.c... pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~~ pstebz11.c:246:26: warning: variable 'reig' set but not used [-Wunused-but-set-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~ pstebz11.c:228:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 228 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz11.c:227:30: warning: unused variable 'k' [-Wunused-variable] 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^ pstebz11.c:226:34: warning: unused variable 'ival' [-Wunused-variable] 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~ pstebz11.c:225:20: warning: unused variable 'indx' [-Wunused-variable] 225 | Integer indx, il, iu, ifakeme, itype, | ^~~~ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] 221 | char msg[35], *cptr; | ^~~~ pstebz11.c:657:33: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 657 | il = irem + ifakeme * ncol + nlow; | ~~~~~~~~~~~~~~~~~~~~~~^~~~~~ pstebz11.c:227:14: note: 'nlow' was declared here 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^~~~ pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:226:6: note: 'nhigh' was declared here 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~~ Compiling inv_it4.c... inv_it4.c: In function 'inv_it4': inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 78 | DoublePrecision xj, sep; | ^~~ inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; | ^~~~~~ Compiling inv_it5.c... inv_it5.c: In function 'inv_it5': inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 72 | DoublePrecision xj, sep; | ^~~ Compiling inv_it3.c... Compiling peigs_tldlfact.c... Compiling clustrf5.c... clustrf5.c: In function 'clustrf5_': clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] 188 | DoublePrecision ortol, xj, sepfine; | ^~~~~ clustrf5.c:456:13: warning: 'xjm' may be used uninitialized [-Wmaybe-uninitialized] 456 | xj = xjm + pertol; | ~~~^~~~~~~~~~~~~~ clustrf5.c:187:19: note: 'xjm' was declared here 187 | DoublePrecision xjm, eps1; | ^~~ Compiling r_ritz.c... r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~~~ r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~ Compiling gdot.F... ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' (cd ./src/f77; /usr/bin/make) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory Compiling inverm.F... inverm.F:497:72: 497 | IC = ICD | ^ Warning: 'icd' may be used uninitialized [-Wmaybe-uninitialized] inverm.F:422:22: 422 | INTEGER I,IC,ICD,IC0,IC1,IC2,MK1,MK2,MMAX | ^ note: 'icd' was declared here Compiling damax.f... Compiling dlaebz2.F... Compiling dstebz3.F... dstebz3.F:507:72: 507 | GU = MIN( GU, WU ) | ^ Warning: 'wu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:67: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wu' was declared here dstebz3.F:506:72: 506 | GL = MAX( GL, WL ) | ^ Warning: 'wl' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:58: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wl' was declared here Compiling heapsort.f... Compiling neblw2.F... neblw2.F:123:72: 123 | RETURN | ^ Warning: '__result_neblw2' may be used uninitialized [-Wmaybe-uninitialized] neblw2.F:35:29: 35 | INTEGER FUNCTION NEBLW2(N, V, D, E, WORK, INFO ) | ^ note: '__result_neblw2' was declared here Compiling dgetavec.F... Compiling dgetavec2.f... Compiling dgetavec3.f... Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... Compiling pairup.f... Compiling xstop.f... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' (cd ./comm; /usr/bin/make) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory Compiling mxbrod.F... mxbrod.F:141:72: 141 | dstsrc = mylpos - srcpos | ^ Warning: 'srcpos' may be used uninitialized [-Wmaybe-uninitialized] mxbrod.F:84:20: 84 | integer srcpos | ^ note: 'srcpos' was declared here Compiling mxcombv1.F... mxcombv1.F:342:72: 342 | prtnr = nodel(prtlpos+1) | ^ Warning: 'prtlpos' may be used uninitialized [-Wmaybe-uninitialized] mxcombv1.F:135:28: 135 | integer prtnr, prtlpos | ^ note: 'prtlpos' was declared here Compiling mxsubs.F... mxsubs.F:571:21: 571 | ireslt = mxwrit (data,isize,ito,itype) | ^ Warning: 'ireslt' may be used uninitialized [-Wmaybe-uninitialized] Compiling sum.F... Compiling maxx.F... Compiling peigs_dgop.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' (cd ./ctof; /usr/bin/make) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' bash: line 1: /src/tools/guess-mpidefs: No such file or directory bash: line 1: /src/tools/guess-mpidefs: No such file or directory Compiling bortho_f.c... bortho_f.c: In function 'bortho_': bortho_f.c:120:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... Compiling onenorm_f.c... Compiling ortho_f.c... ortho_f.c: In function 'ortho_': ortho_f.c:115:46: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:56: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling pdspev_f.c... pdspev_f.c: In function 'pdspev_': pdspev_f.c:147:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspev_f.c:147:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspev_f.c:159:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspevx_f.c... pdspevx_f.c: In function 'pdspevx_': pdspevx_f.c:170:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx_f.c:170:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx_f.c:182:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 182 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspgv_f.c... pdspgv_f.c: In function 'pdspgv_': pdspgv_f.c:159:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_f.c:159:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_f.c:172:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 172 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspgvx_f.c... pdspgvx_f.c: In function 'pdspgvx_': pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 192 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling resid_f.c... Compiling residual_f.c... Compiling sonenorm_f.c... Compiling tresid_f.c... Compiling choleski_f.c... Compiling inverse_f.c... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' rm -f libpeigs.a ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpeigs.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpeigs.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' touch peigs_stamp.LINUX64 make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' Making libraries in perfm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Compiling perfm_start.F... Compiling perfm_end.F... Compiling perfm_flop.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Compiling dist.c... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making libraries in bq make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Compiling bq_input.F... bq_input.F:49:56: 49 | if (.not. rtdb_get(rtdb, 'bq:max_nbq', mt_int, 1, max_nbq)) | 1 ...... 523 | & mt_dbl,ncenter_tmp,charge)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling bq_data.F... Compiling bq_rtdb.F... bq_rtdb.F:109:50: 102 | if(.not. rtdb_put(irtdb,tag,mt_int,1,ncent)) | 2 ...... 109 | if(.not. rtdb_put(irtdb,tag,mt_dbl,3*ncent,dbl_mb(i_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling bq_main.F... Compiling bq_force.F... Compiling bq_checksum.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making libraries in cons make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Compiling cons_input.F... Compiling cons.F... cons.F:564:20: 564 | > mt_int,1,nfa) | 1 ...... 925 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling cons_utils.F... Compiling cons_springs.F... cons_springs.F:184:52: 60 | status=rtdb_get(rtdb,tag_n,mt_int,1,nhb) | 2 ...... 184 | if(rtdb_get(rtdb, 'cons:simulate', mt_log, 1, status)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling cons_rtdb.F... cons_rtdb.F:1041:21: 1014 | if(.not.rtdb_get(rtdb,tag_n,mt_int,1,nc)) then | 2 ...... 1041 | > mt_dbl,nc,dbl_mb(i_tmp_k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cons_rtdb.F:31:41: 25 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 31 | if(.not.rtdb_put(rtdb,tag,mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cons_data.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making libraries in NWints make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Compiling intgrl_input.F... Making all in simint make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making all in module make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Compiling nwcsim_module.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a nwcsim_module.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Making all in source make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a nwcsim_facef90.o nwcsim_hf2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making all in api make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Compiling cando_sp.F... cando_sp.F:294:0: 294 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :14:0: note: this is the location of the previous definition Compiling exact_mem.F... exact_mem.F:71:54: 62 | if (.not.(rtdb_get(rtdb,'int:full_mem',Mt_Log,1,o_do_full))) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'int:mem2emax',Mt_Int,1,mem2emax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling exactd_mem.F... Compiling int_1cg.F... Compiling int_1e3ov.F... Compiling int_1estv.F... Compiling int_2e2c.F... int_2e2c.F:58:0: 58 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :14:0: note: this is the location of the previous definition Compiling int_2e3c.F... Compiling int_acc.F... Compiling int_canon.F... Compiling int_chk_init.F... Compiling int_chk_sh.F... Compiling int_func_c.F... Compiling int_init.F... int_init.F:82:47: 82 | if (rtdb_get(rtdb,'int:acc_std',mt_dbl,1,val_int_acc_std)) then | 1 ...... 309 | if (rtdb_get(rtdb,'int:cando_sp',MT_LOG,1,status)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... Compiling int_l1eke.F... Compiling int_l1eov.F... Compiling int_l1epe.F... Compiling int_l2e2c.F... Compiling int_l2e3c.F... Compiling int_lgen1e.F... Compiling int_mem.F... Compiling int_mpolel.F... Compiling int_mpole.F... Compiling int_nint.F... Compiling int_pgen1e.F... Compiling int_projpole.F... Compiling int_term.F... Compiling intd_1eh1.F... Compiling intd_1eov.F... Compiling intd_1eke.F... Compiling int_1er.F... Compiling intd_2e2c.F... Compiling intd_2e3c.F... Compiling intd_2e4c.F... intd_2e4c.F:258:33: 258 | call ycopy((nint_ck*3*4),0.0d00,0,eri,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:286:21: 286 | call ycopy(3,0.0d00,0,roff,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:307:31: 307 | call ycopy(nintzero, 0.0d0, 0, eri, 1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intd_init.F... intd_init.F:368:50: 198 | if (rtdb_get(rtdb,'intd:cando_txs',MT_LOG,1,status)) | 2 ...... 368 | if (rtdb_get(rtdb,'intd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intd_1e3ov.F... Compiling intbd_init4c.F... Compiling intbd_2e4c.F... intbd_2e4c.F:283:29: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 283 | call ycopy((12*nint_s),0.0d00,0,eri,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intbd_2e4c.F:293:32: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 293 | call ycopy((3*nint_s),0.0d00,0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intbdd_init4c.F... Compiling intbdd_2e4c.F... intbdd_2e4c.F:236:25: 236 | call ycopy (numint,eri,1,scr,1) | 1 ...... 286 | call ycopy((78*nint_s),0.0d00,0,eri,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling intd_mpolel.F... Compiling intdd_1eh1.F... Compiling intdd_1eov.F... Compiling intdd_2e2c.F... Compiling intdd_2e4c.F... Compiling intdd_2e3c.F... Compiling intdd_init.F... intdd_init.F:228:51: 96 | if (rtdb_get(rtdb,'intdd:cando_txs',MT_LOG,1,status)) | 2 ...... 228 | if (rtdb_get(rtdb,'intdd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intp_1eke.F... Compiling intp_1eov.F... Compiling intp_1epe.F... Compiling intp_2e2c.F... Compiling intp_2e3c.F... Compiling intp_mpole.F... Compiling intp_1e1cpe.F... Compiling intp_2e3ct.F... Compiling intp_mpolel.F... Compiling intp_txyz.F... Compiling intpd_1e1cpe.F... Compiling intpd_1eke.F... Compiling intpd_1eov.F... Compiling intpd_1epe.F... Compiling intpd_2e2c.F... Compiling intpd_2e3c.F... Compiling intpd_2e3ct.F... Compiling intpd_mpolel.F... Compiling intso_1e.F... Compiling intd_1eso.F... Compiling int_1epvpe.F... Compiling int_1epxvpe.F... Compiling int_vstat1e.F... Compiling intdd_1eecp1.F... Compiling int_1eelec.F... Compiling int_giaoh01.F... Compiling int_giaoh11.F... Compiling int_giaol10.F... Compiling int_giaos10.F... Compiling int_giaotv10.F... Compiling int_giaobq10.F... Compiling int_giao_2e.F... Compiling int_pso.F... Compiling int_dso.F... Compiling int_ops.F... Compiling intd_1epot.F... Compiling intd_1epot_cosmo.F... Compiling int_veloc.F... Compiling int_angmom.F... Compiling int_giaos100.F... Compiling cosmo_screen.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Compiling int_hf1sp.F... int_hf1sp.F:597:56: 597 | c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ | Warning: backslash and newline separated by space Compiling int_l2e4c.F... Compiling intb_init4c.F... Compiling intb_2e4c.F... Compiling int_2e4c.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Making all in int make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Compiling hf3PEabc.F... Compiling hf3mkr.f... Compiling hf3pot.F... Compiling defNxyz.F... Compiling getNxyz.F... Compiling matchNxyz.F... Compiling hf1.F... hf1.F:190:72: 190 | i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod | ^ Warning: 'npp' may be used uninitialized [-Wmaybe-uninitialized] hf1.F:31:25: 31 | integer MXD,NCP,NPP,La2,Lb2,Li,Lp,Lp3,MaxMem,nintlocal,lprod,nd | ^ note: 'npp' declared here Compiling hf1mke3.f... Compiling hf1mkr.f... Compiling hf1set3.F... Compiling hf2.F... Compiling hf2mkr.F... Compiling hf2oi.f... Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... Compiling hferi.F... Compiling hferi_gen.F... Compiling hfkei.f... Compiling hfmke.F... Compiling hfmkr.F... Compiling hfnai.f... Compiling hfset.F... Compiling igamma.F... Compiling hf_print.f... Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... Compiling hfnai_er.F... Compiling case_impl.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Making all in auxil make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Compiling do_chk_sum.F... Compiling intb_chk_sum.F... intb_chk_sum.F:129:21: 72 | if (rtdb_get(rtdb,'intcsum:b2e4cprint',MT_LOG,1,dumm69)) then | 2 ...... 129 | & MT_INT,1,int_tmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling xlmcoeff.F... Compiling xlm_norm.F... Compiling int_spcart2.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Compiling int_norm.F... Compiling nmcoef.F... Compiling int_norm_2c.F... Compiling int_chk_sum.F... Compiling int_spcart.F... int_spcart.F:824:39: 824 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:935:45: 935 | call ycopy((ndima*ndimb*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:704:39: 704 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3050:27: 3050 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:324:29: 324 | call ycopy((ld2s*ld2s),0.0d00,0,dbl_mb(k_ov),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:328:33: 328 | call ycopy((ld2s*(2*ld+1)),0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3155:20: 3155 | call ycopy (3,0.0d00,0,xyz,1) ! do it at the origin | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3186:26: 3186 | call ycopy(scr_size,0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3191:33: 3191 | call ycopy((rankov*rankov),0.0d00,0,overlap,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:414:34: 414 | call ycopy ((2*Ld+1)*(Ld+1),0.0d00,0,cart_scale,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:79:27: 79 | call ycopy(size_sp2c,0.0d00,0,dbl_mb(k_sp2c),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:113:30: 113 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_sp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:121:30: 121 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_invsp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:130:43: 130 | call ycopy(((2*lmaxin+1)*(lmaxin+1)),0.0d00,0, | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3113:29: 3113 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nmcoef2c.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Making all in ints_sp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Compiling sp1111.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Compiling genr70.F... Compiling init70.F... Compiling qout70.F... Compiling sinfo.F... Compiling sp0000.F... Compiling sp0001.F... Compiling sp0011.F... Compiling sp0101.F... Compiling sp0111.F... Compiling tabgen.f... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Making all in deriv make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Compiling hf1d.F... Compiling hf2d.F... Compiling hfd2oi.f... Compiling hfderi.F... hfderi.F:246:16: 246 | if( kl.gt.ij ) go to 480 | ^ Warning: 'ij' may be used uninitialized [-Wmaybe-uninitialized] hfderi.F:120:15: 120 | ij = (ma*(ma-1))/2 + mb | ^ note: 'ij' was declared here Compiling hfdkei.F... Compiling hfdnai.f... Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... Compiling hf2d_3a2b.F... Compiling hf2d_all.F... Compiling hf1PRtoAB.f... Compiling hf2PRtoAB.f... Compiling hf2QStoCD.f... Compiling hfd3oi.F... Compiling hf1d_cosmo.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Making all in texas make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Compiling abcd.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Compiling texas_face.F... texas_face.F:1064:72: 1064 | * iprint,ncs,inx(inxx),ntxs_scr_size) | 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) texas_face.F:1463:48: 1353 | if (rtdb_get(rtdb,'int:txs:icheck',MT_INT,1,int_tmp)) then | 2 ...... 1463 | if (rtdb_get(rtdb,'int:txs:limi',MT_INT,3,rtdblim)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) texas_face.F:1552:19: 1552 | common /ganz/ ll9(9) ,na,nn4(4) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (112 vs 672 bytes) texas_face.F:1159:19: 1159 | common /ganz/ lcore,iov,last,nganz(67) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (560 vs 672 bytes) texas_face.F:523:25: 523 | common /ctxs_index/ maxsh,ifp,inx(mxsh) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (1520016 vs 24 bytes) texas_face.F:1757:25: 1757 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1917:25: 1917 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) Compiling texas_hf.F... texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'icstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'jcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'kcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'lcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isupblk' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxpair' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) Compiling big_service.F... big_service.F:805:72: 805 | s=zero | ^ Warning: 'zero' is used uninitialized [-Wuninitialized] big_service.F:805:12: 805 | s=zero | ^ note: 'zero' was declared here Compiling getmem.F... Compiling amshift.F... amshift.F:82:72: 82 | call make_indxx(bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:141:72: 141 | * bl(indxx),lni*lnj,lnk*lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:168:72: 168 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:180:72: 180 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:195:72: 195 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:219:72: 219 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:251:72: 251 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:299:72: 299 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:341:72: 341 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) Compiling assemblx.F... assemblx.F:1438:72: 1438 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1456:72: 1456 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1473:72: 1473 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1491:72: 1491 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1506:72: 1506 | * bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1519:72: 1519 | * bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1531:72: 1531 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1543:72: 1543 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1555:72: 1555 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1567:72: 1567 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1582:72: 1582 | * lck,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1593:72: 1593 | * lcl,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1604:72: 1604 | * lci,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1615:72: 1615 | * lcj,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1626:72: 1626 | * lcij,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:55:72: 55 | * bl(ibuf2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:64:72: 64 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:69:72: 69 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:76:72: 76 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:81:72: 81 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:91:72: 91 | * bl(iaax),bl(ibbx),bl(iccx),bl(iexpo)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:96:72: 96 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling spec_block.F... spec_block.F:84:72: 84 | * bl(nblock1),nbl1,nbl2,nbl4) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxpair' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) Compiling cshneg.f... Compiling d_datlog.F... Compiling spec_calcint.F... spec_calcint.F:102:72: 102 | call doblock2(ibl,bl(ijblock),idoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:106:72: 106 | call doblock2(kbl,bl(klblock),jdoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:126:72: 126 | call get_nparts(isupb,bl(isbl_part),nparts) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblok1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxkl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'ipres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxp' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) Compiling spec_destiny.F... Compiling memoha.F... Compiling precalc2.F... precalc2.F:34:72: 34 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:42:72: 42 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:75:72: 75 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:83:72: 83 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:312:72: 312 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:317:72: 317 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:336:72: 336 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:341:72: 341 | * nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1346:72: 1346 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1370:72: 1370 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1628:72: 1628 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1606:25: 1606 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here precalc2.F:1621:72: 1621 | fctsp= abs( est_is*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1549:24: 1549 | est_jp=1.0d0 | ^ note: 'est_jp' was declared here precalc2.F:1606:72: 1606 | factab=abs( est_is*est_js ) | ^ Warning: 'est_is' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1523:24: 1523 | est_is=csi | ^ note: 'est_is' was declared here precalc2.F:1623:72: 1623 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1524:24: 1524 | est_ip=1.0d0 | ^ note: 'est_ip' was declared here precalc2.F:584:72: 584 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:562:25: 562 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:517:24: 517 | est_jp=1.d0 | ^ note: 'est_jp' was declared here precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:488:24: 488 | est_ip=1.d0 | ^ note: 'est_ip' was declared here Compiling prepint.F... Compiling lab_reorder.F... Compiling rt123.F... Compiling shells.F... Compiling time.f... Compiling zeroint.F... zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idpres' at (1); passed REAL(8) to INTEGER(8) zeroint.F:45:72: 45 | call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:57:72: 57 | * bl(ibut2),l01,l02,nfu(nqij)+1,nfu(nqkl)+1 ) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:70:72: 70 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:86:72: 86 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:101:72: 101 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:116:72: 116 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:132:72: 132 | * bl(ibut2 ),lij3,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:146:72: 146 | * bl(ibut2 ),l01,lkl3,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:160:72: 160 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:174:72: 174 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:188:72: 188 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:202:72: 202 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:218:72: 218 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:230:72: 230 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:242:72: 242 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:254:72: 254 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:269:72: 269 | * bl(ibut2 ),lsss,lsss,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) Compiling missing.f... Compiling texas_stubs.F... texas_stubs.F:7:0: 7 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :14:0: note: this is the location of the previous definition Compiling uniq_pairs.F... uniq_pairs.F:73:72: 73 | call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) | 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:74:72: 74 | call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) | 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:40:72: 40 | * bl(ij_uniqe) , nij_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:42:72: 42 | * bl(kl_uniqe) , nkl_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling transfor.F... Compiling gencon.f... gencon.f:352:72: 352 | * bl(indx),nbls1, ngcd,bl(igcoet) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:366:72: 366 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:370:72: 370 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling derivat.F... Compiling convert.f... Compiling test_calc2.f... Compiling screened_op.F... Compiling trobsa.F... trobsa.F:292:72: 292 | call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:329:72: 329 | call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:364:72: 364 | * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:372:72: 372 | * bl(ip1234),bl(iabcd),bl(ihabcdx) ) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:382:72: 382 | * bl(iwt0),bl(iwt0_u),lnij,lnkl) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixwp_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:319:36: 319 | call getmem(nbls1_u*3, ixwp_u ) ! xwp & xwq | ^ note: 'ixwp_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixpnx_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:318:37: 318 | call getmem(nbls1_u*3, ixpnx_u ) ! xpnx & xqnx | ^ note: 'ixpnx_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iabnix_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:317:45: 317 | call getmem(nbls1_u*(mmax_1), iabnix_u ) ! abnix & cdnix | ^ note: 'iabnix_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'irhoapb_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:316:37: 316 | call getmem(nbls1_u, irhoapb_u ) ! rhoapb & rhocpd | ^ note: 'irhoapb_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Making all in ecp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Compiling ecp_sph_tens.f... Compiling int_ecp.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Compiling ecp_3j_prod.f... Compiling ecp_angint.f... Compiling ecp_angrad.f... Compiling ecp_bess_asy.F... Compiling ecp_bess_pow.f... Compiling ecp_bessel.f... Compiling ecp_c2slower.f... Compiling ecp_c2snorm.F... ecp_c2snorm.F:42:72: 42 | wa = wa/sqrt(wb*wc) | ^ Warning: 'wa' may be used uninitialized [-Wmaybe-uninitialized] ecp_c2snorm.F:20:25: 20 | double precision wa,wb,wc,zero,half | ^ note: 'wa' was declared here Compiling ecp_c2srecur.f... Compiling ecp_cart_xpd.F... ecp_cart_xpd.F:117:32: 102 | call ycopy(m-a+1,zero,0,tmp(ind_n,ind_m+1),n_n) | 2 ...... 117 | call ycopy (n_n*ind_m,tmp,1,coef(1,ind_s),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling ecp_contract.f... Compiling ecp_cstrans.F... Compiling ecp_down_m.f... Compiling ecp_gaussq.f... Compiling ecp_init_c2s.F... Compiling ecp_init_con.F... Compiling ecp_int0.F... Compiling ecp_int1.F... Compiling ecp_int2.F... Compiling ecp_integral.F... Compiling ecp_matpi.F... Compiling ecp_matpr.F... Compiling ecp_radint0.F... Compiling ecp_radint1.F... Compiling ecp_radint2.F... Compiling ecp_s2ccoef.f... Compiling ecp_s2cnorm.F... Compiling ecp_so_ang.F... Compiling ecp_t1_Q0asy.F... Compiling ecp_t1_Q0int.F... Compiling ecp_t1_Q0pow.F... Compiling ecp_t1_Q1asy.F... Compiling ecp_t1_Q1int.F... Compiling ecp_t1_Q1pow.F... Compiling ecp_t1_Q2int.F... Compiling ecp_t2_ghq.F... Compiling ecp_t2_init0.f... Compiling ecp_t2_init1.f... Compiling ecp_t2_init2.F... Compiling ecp_t2_p0pow.F... Compiling ecp_t2_p1pow.F... Compiling ecp_up_k.f... Compiling ecp_local0.F... Compiling ecp_local1.F... Compiling ecp_local2.F... Compiling ecp_locint1.F... ecp_locint1.F:56:42: 56 | & coeff_c(n_c),tol,wa,wb,wc,prefac | ^ Warning: 'prefac' may be used uninitialized [-Wmaybe-uninitialized] Compiling ecp_skipint.F... Compiling ecp_t1_Q3asy.F... Compiling ecp_t1_Q3int.F... Compiling ecp_t1_Q3pow.F... Compiling ecp_t1_Q4int.F... Compiling ecp_t2_init3.f... Compiling ecp_t2_init4.f... Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... Compiling ecp_ind_var.f... Compiling ecp_gradient.F... Compiling ecp_grad_a.F... Compiling ecp_grad_b.F... Compiling ecp_hessian.F... Compiling ecp_int2_k.F... Compiling ecp_local2_k.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Making all in hondo make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Compiling hnd_vstat.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Compiling hnd_whermt.F... Compiling hnd_rt123.F... Compiling hnd_root4.F... Compiling hnd_root5.F... Compiling hnd_droot.F... Compiling hnd_1emem.F... Compiling hnd_init.F... Compiling hnd_set_acc.F... Compiling hnd_stvint.F... Compiling hnd_sxyz.F... hnd_sxyz.F:66:72: 66 | pz=pz*bz | ^ Warning: 'bz' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:60: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'bz' was declared here hnd_sxyz.F:65:72: 65 | py=py*by | ^ Warning: 'by' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:56: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'by' was declared here hnd_sxyz.F:64:72: 64 | px=px*bx | ^ Warning: 'bx' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:52: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'bx' was declared here hnd_sxyz.F:18:48: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'az' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:44: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ay' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:40: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'ax' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_txyz.F... Compiling hnd_initd.F... Compiling hnd_d1emem.F... Compiling hnd_stvintd.F... Compiling hnd_dderij.F... Compiling hnd_sd_ij.F... Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... Compiling hnd_hlf_ij.F... Compiling hnd_dervxyz.F... Compiling hnd_initdd.F... Compiling hnd_dd1emem.F... Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... Compiling hnd_terminate.F... Compiling hnd_denxyz.F... Compiling hnd_elfder.F... Compiling hnd_giaoh01.F... Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... Compiling hnd_giaos10.F... Compiling hnd_giaotv10.F... Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... Compiling hnd_giagnm.F... hnd_giagnm.F:56:13: 54 | do 70 m=2,max | 2 55 | do 70 ig=1,ng 56 | 70 b00(ig,m)=b00(ig,m-1)+b00(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:64:13: 62 | do 80 n=2,nmax-1 | 2 63 | do 80 ig=1,ng 64 | b10(ig,n)=b10(ig,n-1)+b10(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:81:29: 79 | do 100 n=2,nmax-1 | 2 80 | do 100 ig=1,ng 81 | gnm(ig,1,n+1,2)=b00(ig,n)*gnm(ig,1,n,1)+d00(ig,1)*gnm(ig,1,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:82:29: 79 | do 100 n=2,nmax-1 | 2 ...... 82 | gnm(ig,2,n+1,2)=b00(ig,n)*gnm(ig,2,n,1)+d00(ig,2)*gnm(ig,2,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:83:29: 79 | do 100 n=2,nmax-1 | 2 ...... 83 | gnm(ig,3,n+1,2)=b00(ig,n)*gnm(ig,3,n,1)+d00(ig,3)*gnm(ig,3,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:95:13: 93 | do 130 m=2,mmax-1 | 2 94 | do 130 ig=1,ng 95 | b01(ig,m)=b01(ig,m-1)+b01(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:112:29: 110 | do 150 m=2,mmax-1 | 2 111 | do 150 ig=1,ng 112 | gnm(ig,1,2,m+1)=b00(ig,m)*gnm(ig,1,1,m)+c00(ig,1)*gnm(ig,1,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:113:29: 110 | do 150 m=2,mmax-1 | 2 ...... 113 | gnm(ig,2,2,m+1)=b00(ig,m)*gnm(ig,2,1,m)+c00(ig,2)*gnm(ig,2,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:114:29: 110 | do 150 m=2,mmax-1 | 2 ...... 114 | gnm(ig,3,2,m+1)=b00(ig,m)*gnm(ig,3,1,m)+c00(ig,3)*gnm(ig,3,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:129:31: 124 | do 180 m=2,mmax-1 | 2 ...... 129 | 2 b00(ig,m )*gnm(ig,1,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:132:31: 124 | do 180 m=2,mmax-1 | 2 ...... 132 | 2 b00(ig,m )*gnm(ig,2,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:135:31: 124 | do 180 m=2,mmax-1 | 2 ...... 135 | 2 b00(ig,m )*gnm(ig,3,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling hnd_giaspd.F... Compiling hnd_jkbcdf.F... Compiling hnd_oechrg.F... Compiling hnd_xyzgia.F... Compiling hnd_giahnd.F... Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... Compiling hnd_spdgia.F... Compiling hnd_pso.F... Compiling hnd_ops.F... Compiling hnd_dso.F... Compiling hnd_wleg.F... Compiling hnd_herxyz.F... Compiling hnd_init_1eelec.F... Compiling hnd_init_dso.F... Compiling hnd_init_1emtpl.F... Compiling hnd_init_pso.F... Compiling hnd_init_ops.F... Compiling hnd_veloc.F... Compiling hnd_angmom.F... Compiling hnd_dipxyz.F... Compiling hnd_init_dip.F... Compiling hnd_giaos100.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Making all in rel make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Compiling int_rel_init.F... Compiling rel_input.F... rel_input.F:80:64: 48 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 ...... 80 | if(.not.rtdb_put(rtdb,'relativistic:clight',mt_dbl,1,clight)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling modelpotential_input.F... Compiling set_modelpotential_params.F... Compiling get_modelpotential_params.F... Compiling calc_modelpotential.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Compiling rel_onel.F... rel_onel.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_onel.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_mpole.F... Compiling rel_pvp.F... Compiling rel_pot.F... Compiling rel_pot2.F... Compiling rel_2e4c_sf.F... Compiling rel_LLSS.F... Compiling rel_SSLL.F... Compiling rel_SSSS.F... Compiling rel_init_con.F... Compiling dmd_input.F... Compiling zora_input.F... Compiling x2c_input.F... Compiling rel_oneld.F... rel_oneld.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_oneld_cosmo.F... rel_oneld_cosmo.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:115:17: 115 | logical doV ! compute potential (True/False) | ^ Warning: 'dov' may be used uninitialized [-Wmaybe-uninitialized] Compiling rel_2e4cd_sf.F... Compiling rel_LLSSd.F... Compiling rel_SSLLd.F... Compiling rel_SSSSd.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Making all in dk make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' Compiling int_1edk_ga.F... int_1edk_ga.F:194:13: 194 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling dk_input.F... dk_input.F:110:61: 108 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 109 | $ call errquit('dk_input: rtdb_put failed', 0, RTDB_ERR) 110 | if (.not. rtdb_put(rtdb, 'doug_kroll:type', mt_int, 1, dk_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... Compiling int_1edkso_ga.F... int_1edkso_ga.F:182:13: 182 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling bas_create_uncont.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a intgrl_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Making libraries in atomscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' Compiling orderd.F... Compiling atcond.F... Compiling denat.F... denat.F:132:56: 121 | if (.not. rtdb_get(rtdb, 'atomscf:special', mt_log, 1, spec)) | 2 ...... 132 | if (.not.rtdb_get(rtdb,'atomscf:z',mt_dbl,num_z,z)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling hamild.F... Compiling outpud.F... Compiling teigd.F... Compiling atomd.F... Compiling denmad.F... Compiling jacod.F... jacod.F:141:72: 141 | f(iebr) = tt*sx - f(iebr)*cx | ^ Warning: 'tt' may be used uninitialized [-Wmaybe-uninitialized] jacod.F:20:49: 20 | real *8 sd, t, dif, t2x2, t2x25, cx, sx, tt | ^ note: 'tt' was declared here Compiling pdfded.F... Compiling tracd.F... Compiling cmergd.F... Compiling densid.F... Compiling densid_z.F... Compiling oeigd.F... Compiling shalfd.F... Compiling trafsd.F... Compiling creded.F... Compiling square.F... Compiling tramad.F... Compiling datoms.F... Compiling guess_mem.F... Compiling starcd.F... Compiling writel.F... Compiling printbasis.F... Compiling atscf_ecp.F... Compiling atscf_atscf.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' Making libraries in ddscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Compiling comp4_bins.F... Compiling rhf_dens_mo.F... Compiling comp4_insert.F... Compiling scf_sym_adap.F... Compiling rhf_fock_2e.F... Compiling scf_lindep.F... scf_lindep.F:69:51: 59 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 2 ...... 69 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, tol)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ga_atom_blk.F... Compiling scf.F... scf.F:193:9: 191 | & cam_exch)) cam_exch=.false. | 2 192 | if (.not.rtdb_get(rtdb, 'scf:cam_omega', mt_dbl, 1, 193 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). scf.F:307:56: 76 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 1)) | 2 ...... 307 | if (.not. rtdb_put(rtdb, 'scf:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling scf_input.F... scf_input.F:52:60: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 52 | if (.not. rtdb_put(rtdb, 'scf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). scf_input.F:79:64: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 79 | if (.not.rtdb_put(rtdb,'scf:level shift info',MT_DBL,6,shifts)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling schwarz_init.F... Compiling vectors_inp.F... vectors_inp.F:234:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 234 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors_inp.F:248:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 248 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling int_1e_ga.F... Compiling schwarz_pr.F... Compiling ga_orth_mos.F... Compiling schwarz_tidy.F... Compiling int2e_balance.F... Compiling vectors.F... vectors.F:1308:40: 1302 | ierr = eaf_read(unitno, offset, len1,lgth) | 2 ...... 1308 | ierr = eaf_read(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:1162:41: 1156 | ierr = eaf_write(unitno, offset, len1,lgth) | 2 ...... 1162 | ierr = eaf_write(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:195:43: 195 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, ddblsize*nbf, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors.F:77:41: 77 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*nsets, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vectors.F:851:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 851 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:868:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 868 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:952:50: 402 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) then | 2 ...... 952 | if (.not. rtdb_get(rtdb, key, mt_log, 1, oconverged)) goto 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling scf_sym_scr.F... Compiling ga_cont_blk.F... Compiling mull_pop.F... mull_pop.F:162:44: 152 | call ga_put(g_nbf,iat,iat,1,1,nbf_at,1) | 2 ...... 162 | call ga_put(g_pop,mu,mu,iat,iat,psmu,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mull_pop.F:177:40: 175 | call ga_get (g_nbf,iat,iat,1,1,nbf_at,1) | 2 176 | do i = 1,nbf_at 177 | call ga_get(g_pop,i,i,iat,iat,pop,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling matrix_exp.F... Compiling scf_pstat.F... Compiling schwarz_max.F... Compiling movecs_proj.F... movecs_proj.F:181:32: 172 | call int_init(rtdb,2,basis_handles) | 2 ...... 181 | call int_init(rtdb, 1, basis) ! WRONG WRONG WRONG | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling movecs_rotate.F... Compiling movecs_molden.F... Compiling ao_fock_2e.F... Compiling movecs_lock.F... movecs_lock.F:77:26: 62 | call ycopy(nmo, evals, 1, dbl_mb(k_e), 1) | 2 ...... 77 | call ycopy(nmo, 0.0d0,0, dbl_mb(k_t), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_2e.F... fock_2e.F:111:49: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:111:55: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:51: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:57: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:50: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:56: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_2e_et.F... Compiling fock_2e_a.F... Compiling print_aoints.F... Compiling fock_2e_b.F... Compiling fock_upd_blk.F... Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... scf_vec_guess.F:113:53: 92 | if(.not.rtdb_get(rtdb,'tolguess',mt_dbl,1,tolguess)) then | 2 ...... 113 | if (.not. rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:134:25: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 134 | & 32, 32, g_movecs)) call errquit('scf_v_g: alpha MOs',0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:141:24: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 141 | & 32,32, g_movecs)) call errquit('scf_v_g: MOs', 0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:145:30: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 145 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:164:14: 159 | if (.not. rtdb_put(rtdb,'scf:tol2e',mt_dbl,1,tol2e)) | 2 ...... 164 | $ odensityscreen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:295:31: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:295:41: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:30: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:45: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:337:33: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 ...... 337 | & g_tmp, g_tmp2, 0.0d0, g_movecs(2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:339:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 339 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:341:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 341 | if (.not. ga_destroy(g_tmp2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf.F... rohf.F:135:14: 135 | $ int_mb(k_irs), nmo) | 1 ...... 311 | call ecce_print1('total dipole', mt_dbl, totalmoments(2), 3) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rohf_nr_sol.F... Compiling rohf_wrap.F... rohf_wrap.F:209:58: 191 | if (.not. rtdb_get(rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 209 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', MT_LOG, 1, ldimqm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rohf_canon.F... rohf_canon.F:90:17: 79 | $ zero, g_movecs) | 2 ...... 90 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:92:17: 79 | $ zero, g_movecs) | 2 ...... 92 | $ zero, crohf_g_fcv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:96:20: 79 | $ zero, g_movecs) | 2 ...... 96 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:98:20: 79 | $ zero, g_movecs) | 2 ...... 98 | $ zero, crohf_g_fcp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:100:20: 79 | $ zero, g_movecs) | 2 ...... 100 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:102:20: 79 | $ zero, g_movecs) | 2 ...... 102 | $ zero, crohf_g_fpv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_k2cf.F... Compiling rohf_precon.F... Compiling rohf_shift.F... Compiling rohf_step.F... Compiling rohf_rotate.F... Compiling scf_get_info.F... scf_get_info.F:363:58: 363 | if (.not. rtdb_get(rtdb, 'fock:task_bf', MT_INT, 1, task_bf)) | 1 ...... 550 | $ MT_LOG, 1, okeep)) okeep = .false. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling rohf_hscale.F... Compiling fock_2e_file.F... Compiling rohf_hxx.F... Compiling rohf_fock.F... rohf_fock.F:255:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:255:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rohf_fock2g.F... Compiling scf_movecs.F... scf_movecs.F:94:40: 16 | $ g_movecs)) | 2 ...... 94 | $ dbl_mb(k_o), dbl_mb(k_e), g_old)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_h1e.F... Compiling rohf_h2e.F... Compiling rohf_hessv2.F... rohf_hessv2.F:293:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 293 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:294:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 294 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:314:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 314 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:315:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 315 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:332:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 332 | $ g_movec, 1, nbf, ooff, oend, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:333:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 333 | $ g_tmp2, 1, nopen, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:487:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 487 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:488:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 488 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:514:33: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 514 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:515:33: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 515 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:532:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 532 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:533:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 533 | $ g_tmp1, 1, nbf, 1, nopen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:551:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 551 | $ g_movec, ooff, oend, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:552:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 552 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_dens.F... Compiling movecs_phase.F... Compiling riscf_fock.F... Compiling riscf_init.F... Compiling riscf_list.F... Compiling riscf_tidy.F... Compiling riscf_trans.F... riscf_trans.F:96:61: 64 | call ga_get (g_indx, i, i, j, j, indx, 1) | 2 ...... 96 | call ga_get (g_Vsqrt, 1, Nff, sfirst, slast, V_row, Nff) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling do_riscf.F... Compiling riscf_dovecs.F... Compiling rohf_scat.F... rohf_scat.F:124:35: 109 | if (.not.int_normalize(rtdb,basis)) | 2 ...... 124 | if (.not. int_normalize(rtdb,all_bas_han)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:148:26: 119 | if (.not. bas_numbf(all_bas_han, nbf_all)) | 2 ...... 148 | if (.not. bas_numbf(basis, nbf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). rohf_scat.F:235:33: 232 | if (.not. bas_ce2bfr(basis, iat, ilo, ihi)) | 2 ...... 235 | if (.not. bas_ce2bfr(all_bas_han, iat, jlo, jhi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:264:25: 146 | call ga_orthog_mos(basis, g_vecs) | 2 ...... 264 | call ga_orthog_mos(all_bas_han, g_all) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:279:40: 133 | g_vecs = ga_create_atom_blocked(geom,basis,'Molecular orbital') | 2 ...... 279 | & ga_create_atom_blocked(geom, all_bas_han, 'rohf: cdens') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling uhf.F... uhf.F:2010:31: 429 | call movecs_fix_phase(g_movecs) | 2 ...... 2010 | call movecs_fix_phase(g_u) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1696:11: 361 | if (.not.rtdb_get(rtdb, 'scf:noscf', mt_log, 1, noscf)) | 2 ...... 1696 | $ max_precond_sub)) max_precond_sub = 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). uhf.F:813:23: 397 | call ga_print(g_movecs) | 2 ...... 813 | call ga_print(g_a_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:814:23: 397 | call ga_print(g_movecs) | 2 ...... 814 | call ga_print(g_b_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1005:23: 397 | call ga_print(g_movecs) | 2 ...... 1005 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1006:23: 397 | call ga_print(g_movecs) | 2 ...... 1006 | call ga_print(g_a_exch) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1217:23: 397 | call ga_print(g_movecs) | 2 ...... 1217 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1218:23: 397 | call ga_print(g_movecs) | 2 ...... 1218 | call ga_print(g_b_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1229:23: 397 | call ga_print(g_movecs) | 2 ...... 1229 | call ga_print(cuhf_g_falpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1230:23: 397 | call ga_print(g_movecs) | 2 ...... 1230 | call ga_print(cuhf_g_fbeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1591:32: 397 | call ga_print(g_movecs) | 2 ...... 1591 | if (odebug) call ga_print(g_grad) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling uhf_hessv.F... Compiling fock_2e_rep.F... Compiling uhf_hessv2.F... Compiling print_integ_list.F... Compiling print_1eints.F... Compiling riscf_square.F... riscf_square.F:75:57: 50 | call ga_get (g_indx, 1, ish, ish, ish, indx, ish) | 2 ...... 75 | call ga_get (g_three, first, last, in, in, three, nint) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling riscf_io.F... Compiling movecs_pr_anal.F... Compiling rohf_lagr.F... Compiling rohf_diis.F... rohf_diis.F:164:23: 164 | $ g_movecs, 0.d0, g_tmp ) | 1 ...... 414 | $ g_tmp2, 0.d0, g_tmp1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:167:54: 167 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_movecs, | 1 ...... 413 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_fock, | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:174:34: 174 | call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, | 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) Compiling rhf_fock.F... Compiling multipole.F... Compiling ga_mat_to_vec.F... Compiling movecs_frag.F... movecs_frag.F:84:63: 56 | $ call errquit('movecs_fragment: no fragment info?',0, | 2 ...... 84 | $ call errquit('movecs_fragment: GA for frag MOs', nmo_frag, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling localize.F... localize.F:78:24: 78 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 519 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:80:24: 80 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 615 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:85:24: 85 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 519 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:87:24: 87 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 615 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:126:39: 126 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:136:36: 136 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:145:36: 145 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:195:39: 195 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:205:36: 205 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:214:36: 214 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:760:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 760 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) localize.F:905:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 905 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling int_dip_ga.F... Compiling fock_xc.F... fock_xc.F:117:54: 103 | & calc_type)) then | 2 ...... 117 | if (.not.rtdb_get(rtdb, 'dft:cgmin', mt_log, 1, lcgmin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). fock_xc.F:194:28: 194 | = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:205:44: 205 | int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:359:33: 359 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:360:12: 360 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:366:33: 366 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:367:12: 367 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_j_fit.F... fock_j_fit.F:17:45: 17 | call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) | 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) Compiling rohf_jkfac.F... Compiling uhf_jkfac.F... Compiling rohf_hessv3.F... rohf_hessv3.F:862:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 862 | call nga_copy_patch('N',g_fock(ipm),alo,ahi,g_tmp1,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:863:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 863 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:882:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 882 | & g_tmp2,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:883:56: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 883 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcp,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:888:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 888 | & g_tmp3,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:890:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 890 | & g_dpv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:69:17: 69 | $ pflg, g_movecs, oskel, noskew, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling fock_2e_cam.F... fock_2e_cam.F:118:49: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:118:55: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:51: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:57: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:50: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:56: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_get2eri.F... Compiling scf_frozemb.F... Compiling print_integrals.F... Compiling rohf_hessv2_ext.F... Compiling rohf_hessv3_ext.F... rohf_hessv3_ext.F:88:11: 88 | & g_movecs, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) rohf_hessv3_ext.F:429:11: 429 | & g_movecs, ! in : MO coefficients | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling uhf_hessv2_ext.F... uhf_hessv2_ext.F:4115:72: 4115 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) uhf_hessv2_ext.F:2779:72: 2779 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling uhf_precond_ext.F... Compiling scf_dump_evp_input.F... Compiling cosmo_fock.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Compiling fock_2e_task.F... Compiling fock_2e_slab.F... Compiling fock_2e_lab.F... fock_2e_lab.F:1609:46: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:1609:52: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:50: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:56: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) Compiling fock_labscal.F... Compiling fock_2e_c.F... Compiling fock_scale.F... Compiling fock_densc.F... Compiling schwarz_atom.F... Compiling comp4_ext.F... Compiling schwarz_sh.F... Compiling int2e_file.F... Compiling ao_replicated.F... ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ilo' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:17: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ilo' declared here ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ihi' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:22: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Making all in fast make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' Compiling xlm_poles.F... Compiling cheby.F... Compiling fastj.F... fastj.F:170:11: 158 | if (.not. rtdb_get(rtdb, 'fastj:depth', mt_int, 1, depth)) | 2 ...... 170 | $ oversample)) oversample = 1.8d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). fastj.F:1994:36: 650 | $ radial*double_factorial(n+l+1)/ | 2 ...... 1994 | $ 2d0*log(double_factorial(n))+ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). fastj.F:1639:72: 1639 | dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid | ^ Warning: 'potgrid' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:1256:47: 1256 | double precision x, y, z, potfmm, potgrid, fact | ^ note: 'potgrid' was declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nx' is used uninitialized [-Wuninitialized] fastj.F:503:19: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nx' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'ny' is used uninitialized [-Wuninitialized] fastj.F:503:23: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'ny' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nz' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:503:27: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nz' declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'z' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:42: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'z' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'y' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:39: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'y' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'x' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:36: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'x' was declared here Compiling anlfit.F... anlfit.F:615:72: 615 | D(1)=PTWO | ^ Warning: 'ptwo' may be used uninitialized [-Wmaybe-uninitialized] anlfit.F:598:42: 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here Compiling cart_trans.F... Compiling gauleg.f... Compiling solver.F... solver.F:1030:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1031:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy 1031 | zp(j,i) = zz | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1055:34: 1054 | do j = 0, lmax | 2 1055 | yf(j) = yf(j) + yp(j,l)*f(l,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1060:46: 1058 | do k = 0,lmax | 2 1059 | do j = 0,lmax 1060 | q2d(j,k) = q2d(j,k) + yf(j)*zp(k,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:99:72: 99 | $ write(6,15) etime(tt) - start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] solver.F:34:32: 34 | real*4 etime, tt(2), start | ^ note: 'start' was declared here Compiling vsint.F... vsint.F:999:72: 999 | n4=n5 | ^ Warning: 'n5' is used uninitialized [-Wuninitialized] vsint.F:999:11: 999 | n4=n5 | ^ note: 'n5' was declared here Compiling pot_shell.F... pot_shell.F:88:52: 88 | double precision qm2, qm1, q0, qp1, qp2, start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] Compiling fastj_direct.F... Compiling fastj_range.f... Compiling newfmm.F... newfmm.F:1152:26: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). newfmm.F:1152:30: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'zo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:45: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'zo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'yo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:41: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'yo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'xo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:37: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'xo' was declared here Compiling potential.F... Compiling sint.F... sint.F:146:72: 146 | CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) sint.F:25:72: 25 | CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o cosmo_fock.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Making libraries in gradients make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Compiling gradients.F... Compiling grad_force.F... grad_force.F:252:63: 226 | if (.not. rtdb_get(rtdb,'slv:cosmo',mt_log,1,ocosmo)) then | 2 ...... 252 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grad1.F... Compiling scf_gradient.F... Compiling grad_dens.F... Compiling grad_inp.F... grad_inp.F:45:62: 40 | $ checkpoint)) | 2 ...... 45 | 200 if (.not. rtdb_put(rtdb,'gradients:restart', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling ga_reorder.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Compiling grad2.F... Compiling grad_getdens.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Making libraries in moints make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Compiling atwtest.F... Compiling direct_mp2.F... direct_mp2.F:118:58: 59 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 118 | if (.not. rtdb_get(rtdb, 'dft:energy', MT_DBL, 1, scf_energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mointdriver.F... mointdriver.F:96:28: 90 | if (.not. rtdb_get(rtdb, 'mp2:aotol2e', mt_dbl, 1, tol2e)) | 2 ...... 96 | $ 1, odisk)) odisk = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling moints_1e.F... Compiling moints_dbg.F... Compiling moints_gsh1.F... Compiling moints_mem.F... Compiling moints_mp2.F... moints_mp2.F:167:54: 163 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 2 ...... 167 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling moints_stats.F... moints_stats.F:54:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 54 | call ga_dgop(msg_moints_stats_2,mi_maxsynch,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:55:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 55 | call ga_dgop(msg_moints_stats_3,mi_minsynch,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:56:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 56 | call ga_dgop(msg_moints_stats_4,mi_maxtask,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:57:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 57 | call ga_dgop(msg_moints_stats_5,mi_mintask,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_full.F... moints_full.F:886:42: 626 | call ga_get(g_coul, 1, nact2, ij, ij, g, 1) | 2 ...... 886 | call ga_get(g_tmp, 1, nbf, i, i, work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:887:52: 710 | call ga_put(g_mofock, 1, hi, i, i, buf, 1) | 2 ...... 887 | call ga_put(g_vecs,1, nbf, map(i), map(i), work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:192:11: 103 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 192 | $ occ_frozen)) occ_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). moints_full.F:374:72: 374 | $ nsym, sym_lo, sym_hi) | 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) Compiling sifs0.F... Compiling sifs1.F... sifs1.F:1371:13: 911 | & fcore, ibitv, ierr ) | 2 ...... 1371 | & wdummy, idummy, ierr ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Compiling moints_cutil.c... Compiling moints_aodisk.F... moints_aodisk.F:1719:22: 1719 | if (.not.(sprs_verify(llen,klen,itmp(1), | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:922:23: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_aodisk.F:922:34: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(8) moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1165:38: 1165 | call icopy( 1, iorec(1), 1, nexthdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1172:41: 1172 | 101 call icopy( 1, iorec(nexthdrp), 1, magic, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1285:72: 1285 | $ ssbb(lblo,kblo,j,i) ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:1606:29: 1606 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1614:72: 1614 | call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1566:35: 1566 | call icopy(1, iorec(1), 1, hdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1652:29: 1652 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1660:18: 1660 | if (.not.(ao_ijverify( ilen, jlen, klen, llen, | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(8) to INTEGER(2) Compiling moints_2x.F... Compiling moints_6x.F... Compiling moints_semi.F... moints_semi.F:1255:33: 1184 | if (eaf_read(munit, faddr, t, rlen).ne.0) | 2 ...... 1255 | if (eaf_read(munit, ioptr, v, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:307:34: 307 | if (eaf_write(kunit, 0.d0, vtmp, | 1 ...... 959 | ierr=eaf_write(munit, faddr, dbl_mb(k_local+ooffset), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:321:60: 163 | if (rtdb_get(rtdb, 'mp2:mxrlen', mt_int, 1, mxrlen_in)) | 2 ...... 321 | if (.not. rtdb_get(rtdb, 'mp2:copyback', mt_log, 1, mp2cpybck)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). moints_semi.F:1116:42: 849 | call ga_put( g_buf, ijolo, ijohi, 1, nvir, h2, nij ) | 2 ...... 1116 | call ga_put(g_epair,1,1,oj,oj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_aux2.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Making libraries in nwdft make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Compiling nwdft.F... nwdft.F:224:57: 171 | if (rtdb_get(rtdb,'dyall_mod_dir',mt_log,1,dyall_mod_dir)) then | 2 ...... 224 | if(.not.rtdb_get(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Making all in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' Making all in input_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Compiling dft_inpana.F... dft_inpana.F:1087:28: 1069 | if (.not. rtdb_put(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 1087 | & mt_dbl, numfunc, cfac(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_inpana.F:1108:55: 1066 | if(rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) then | 2 ...... 1108 | if (.not.rtdb_get(rtdb, 'scf:thresh', MT_DBL, 1, thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_rdinput.F... dft_rdinput.F:99:52: 73 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 99 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, rcharge))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_rdinput.F:206:23: 110 | & mt_log, 1, nodamping)) | 2 ...... 206 | & mt_int, 1, iterations)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_input.F... dft_input.F:184:53: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 184 | if (.not. rtdb_put(rtdb, 'dft:direct',mt_log,1,direct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:348:59: 113 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 348 | if (.not. rtdb_get(rtdb, 'dft:gonwxc', mt_log, 1, gonwxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:483:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 483 | & nmo_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:486:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 486 | & ncore_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:619:24: 416 | 2200 if (.not. inp_f(smear_sigma)) then | 2 ...... 619 | if (.not. inp_f(alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_input.F:924:52: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 924 | if (.not.rtdb_put(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:926:50: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 926 | if (.not.rtdb_put(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tol_inp.F... tol_inp.F:70:57: 56 | if (.not. rtdb_put(rtdb, 'dft:ltight', mt_log, 1, ltight)) | 2 ...... 70 | if (.not. rtdb_put(rtdb, 'dft:tol_rho', mt_dbl, 1, tol_rho)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_inp.F... grid_inp.F:144:60: 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) | 2 ...... 144 | if (.not. rtdb_put(rtdb, 'dft:nradpts', mt_int, 1, nradpts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling xc_inp.F... xc_inp.F:4094:55: 3890 | if (.not.rtdb_put(rtdb,'dft:ivdw', mt_int, 1, ivdw)) | 2 ...... 4094 | if (.not. rtdb_put(rtdb,'dft:mp2fac', mt_dbl, 1, mp2fac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling conv_inp.F... conv_inp.F:191:55: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dft:ncydp', mt_int, 1, ncydp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). conv_inp.F:391:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 391 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) conv_inp.F:407:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 407 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cdft_inp.F... cdft_inp.F:71:54: 32 | if (.not.rtdb_get(rtdb,'dft:grid_make_sa',mt_log,1,grid_make_sa)) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cdft_inp.F:89:53: 66 | if (.not. rtdb_put(rtdb,'dft:dl_conv', mt_dbl, 1, dl_conv)) | 2 ...... 89 | if (.not. rtdb_put(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling occup_input.F... occup_input.F:196:52: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 195 | & call errquit(pname//'rtdb_put failed', 1201, RTDB_ERR) 196 | if (.not. rtdb_put(rtdb,'focc:occup',mt_int,2,nfocc_in)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) occup_input.F:199:23: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 ...... 199 | & mt_dbl,nfocc,dbl_mb(k_occ))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Making all in scf_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Compiling dft_swapab.F... Compiling dft_main0d.F... dft_main0d.F:118:59: 115 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, 0.d0)) | 2 ...... 118 | if (.not. rtdb_put(rtdb, 'dft:converged', MT_LOG, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_main0d.F:140:50: 134 | if (.not. rtdb_get(rtdb, 'dft:scalanb',mt_int,1,nb)) | 2 ...... 140 | if(rtdb_get(rtdb,'bgj:xc_active', MT_LOG, 1,xc_active)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_scf.F... dft_scf.F:276:43: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 276 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_scf.F:405:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 405 | & nmo_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:408:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 408 | & ncore_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:459:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 459 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:755:61: 363 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 755 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:1125:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1125 | $ rtdb_get(rtdb,'dft:iatms1', mt_int, nconstr,iatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1126:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1126 | $ .and. rtdb_get(rtdb,'dft:iatms2', mt_int, nconstr,iatms2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1127:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1127 | $ .and. rtdb_get(rtdb,'dft:fatms1', mt_int, nconstr,fatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1128:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1128 | $ .and. rtdb_get(rtdb,'dft:fatms2', mt_int, nconstr,fatms2) )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1132:61: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1132 | if (.not. rtdb_get(rtdb,'dft:dtype', mt_int, nconstr,dtype)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1773:32: 1771 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1772 | call ecce_print1 ('iterative total energy difference', 1773 | & mt_dbl, delta, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:2466:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2466 | if (.not. rtdb_get(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:2468:51: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2468 | if (.not. rtdb_get(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling print_irrep_occp.F... Compiling dft_fockbld.F... dft_fockbld.F:125:42: 120 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 125 | $ rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_fockbld.F:392:39: 293 | if (.not.ga_duplicate(g_focks(1),g_cosmo,'cosmo')) | 2 ...... 392 | if(.not.ga_duplicate(g_vxc(1), g_vdim, 'dim:1')) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:394:21: 195 | call ga_zero(g_fock) | 2 ...... 394 | call ga_zero(g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:397:34: 212 | Ecore = ga_ddot(g_dens(1), g_fock) | 2 ...... 397 | Edim = ga_ddot(g_dens(1), g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:646:27: 323 | call ga_dadd(1d0, g_dens(1), -1d0, g_dens(2), g_dens(1)) | 2 ...... 646 | call ga_dadd(1.d0, g_vdim, 1.d0, g_focks(1), g_focks(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:650:29: 300 | if (.not.ga_destroy(g_cosmo)) | 2 ...... 650 | if (.not. ga_destroy(g_vdim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_scfutil.F... dft_scfutil.F:109:72: 109 | & 1, 1, nbf_ao, 1, 1) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_scfutil.F:153:58: 151 | & frac_occ )) frac_occ=.false. | 2 152 | c 153 | if (.not.rtdb_get(rtdb,'focc:occup_switch',mt_int,1,ifocc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_symbr.F... Compiling dft_pstat.F... Compiling fukui.F... Compiling dft_canorg.F... dft_canorg.F:221:53: 212 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, toll_s).or. | 2 ...... 221 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dft_diagn.F... Compiling dft_dump_info.F... Compiling dft_fant.F... Compiling dft_printinfo.F... Compiling dft_fock_efield.F... dft_fock_efield.F:95:72: 95 | $ call errquit (pname//"invalid negative exp_cutoff") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_frac_mo.F... dft_frac_mo.F:59:9: 44 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) ! read both nfocc_in(1) and nfocc_in(2) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_nwmolden.F... dft_nwmolden.F:98:30: 57 | call ga_brdcst(2020, io_res, inntsize, 0) | 2 ...... 98 | call ga_brdcst(1984, eval, ispin, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_spinflip.F... Compiling dft_quickguess.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Compiling dft_dencvg.F... Compiling dft_densm.F... dft_densm.F:103:59: 103 | status=rtdb_get(rtdb,'focc:occup_switch', mt_int,1,switch_focc) | 1 ...... 510 | if (.not. rtdb_get(rtdb, 'dft:debugfon', mt_log, 1, debug)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_densm.F:147:31: 147 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 1 ...... 451 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_invdiag.F... Compiling dft_mxovl.F... Compiling dft_mxspin_ovlp.F... Compiling dft_s2_value.F... Compiling dft_scfcvg.F... Compiling diis_bld12.F... Compiling diis_bsolve.F... Compiling diis_core.F... Compiling diis_driver.F... Compiling diis_hamwgt.F... Compiling dft_fdist_init.F... Compiling cdft_util.F... cdft_util.F:965:11: 429 | if (.not. rtdb_get(rtdb, 'dft:nconstr', mt_int, 1, nconstr)) | 2 ...... 965 | $ multipliers(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Making all in scf_dft_cg make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Compiling dft_cscf.F... Compiling dft_cg_answer.F... dft_cg_answer.F:39:56: 33 | if (.not. rtdb_put(rtdb,'scf:nclosed', mt_int, 1, nclosed)) | 2 ...... 39 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_cg_info.F... dft_cg_info.F:54:11: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 54 | $ nr_gswitch)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_cg_info.F:60:56: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 60 | if (.not.rtdb_get(rtdb, 'dft:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_cg_info.F:72:55: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 72 | if (.not. rtdb_get(rtdb, 'dft:tol2e', MT_DBL, 1, tol2e)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_cg_guess.F... Compiling dft_cg_solve.F... dft_cg_solve.F:120:11: 113 | if (.not.rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) fon=.false. | 2 ...... 120 | & ssmear))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_get_conv_info.F... Compiling dft_roks_energy.F... dft_roks_energy.F:108:45: 102 | $ rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 108 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling dft_roks_fock.F... dft_roks_fock.F:384:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:384:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:450:58: 259 | if (.not. rtdb_put(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) | 2 ...... 450 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling dft_roks_hessv_2e.F... dft_roks_hessv_2e.F:298:57: 282 | & calc_type)) then | 2 ...... 298 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_roks_hessv.F... Compiling dft_roks_hessv_xx.F... Compiling dft_roks_nr_solve.F... Compiling dft_roks_search_precond.F... Compiling dft_roks_step_energy.F... Compiling dft_uks_energy.F... dft_uks_energy.F:331:49: 72 | & 'cphf_solve:cphf_uhf', mt_log, 1, cphf_uhf)) then | 2 ...... 331 | if (rtdb_get(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_uks_hessv_2e.F... Compiling dft_uks_hessv.F... Compiling dft_uks_nr_solve.F... Compiling dft_uks_search_precond.F... Compiling dft_uks_step_energy.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Making all in so_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Compiling dft_scf_so.F... dft_scf_so.F:311:37: 305 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 311 | $ (rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_scf_so.F:708:60: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 708 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:1289:48: 1254 | call int_1e_ga(ao_bas_han, ao_bas_han, g_fock, 'kinetic', oskel) | 2 ...... 1289 | call int_1e_ga(ao_bas_han, ao_bas_han, g_so, 'so', oskel) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:1886:32: 1884 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1885 | call ecce_print1 ('iterative total energy difference', 1886 | & mt_dbl, -etold+etnew, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:2326:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2326 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:2351:53: 348 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2351 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_densmso.F... Compiling dft_mxovlso.F... Compiling grad_force_so.F... grad_force_so.F:269:63: 267 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 268 | $ ocdfit = .false. 269 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_gradients_so.F... dft_gradients_so.F:486:34: 484 | call intdd_init(rtdb,2,nmo) | 2 485 | else 486 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients_so.F:526:33: 524 | call intd_init(rtdb,2,nmo) | 2 525 | else 526 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling vectors_so.F... vectors_so.F:164:43: 164 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob(nbf), 0) | 1 ...... 821 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob(1), 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors_so.F:264:48: 264 | $ 'movecs_gather_so: ga_destroy failed', g_tmp, GA_ERR) | 1 ...... 808 | $ call errquit('matrix_fwrite: ma failed', nrow, MA_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grad_dens_so.F... Compiling grad1_so.F... Compiling diis_driver_so.F... Compiling diis_bsolve_so.F... Compiling diis_bld12_so.F... Compiling diis_core_so.F... Compiling diis_hamwgt_so.F... Compiling diis_refvec_so.F... diis_refvec_so.F:29:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 29 | call ga_get(g_err(1),1,i-1,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:30:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 30 | call ga_get(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:31:41: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 31 | call ga_get(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:32:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 32 | call ga_get(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:42:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 42 | call ga_put(g_err(1),1,i,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:43:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 43 | call ga_put(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:44:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 44 | call ga_put(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:45:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 45 | call ga_put(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling movecs_anal_so.F... movecs_anal_so.F:464:49: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) movecs_anal_so.F:464:56: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling getv_coul.F... Compiling getv_exch0.F... Compiling getv_exchX.F... Compiling getv_exchY.F... Compiling getv_exchZ.F... Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... sym_mo_adapt_so.F:436:30: 435 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 436 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_char_tab_so.F... Compiling scf_sym_adap_so.F... Compiling sym_mo_ap_op_so.F... Compiling sym_op_clsfy_so.F... Compiling ga_orth_mos_so.F... Compiling ga_orthog_so.F... Compiling sym_op_cname_so.F... Compiling grad_dens_so2.F... Compiling dft_scf_utils_so.F... Compiling dft_frac_mo_so.F... dft_frac_mo_so.F:59:9: 48 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling xc_exso.F... Compiling getv_coul_cd.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Making all in coulomb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Compiling dft_3cincor.F... dft_3cincor.F:91:26: 91 | integer size_atblock | ^ Warning: 'size_atblock' may be used uninitialized [-Wmaybe-uninitialized] Compiling dft_mem3c.F... Compiling dft_fitcd.F... dft_fitcd.F:93:33: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 92 | else 93 | call ycopy(nbf_cd*nfit, 0.D0, 0, Dbl_MB(iTvec), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_fitcd.F:202:25: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 ...... 202 | call ycopy(nbf_cd,0.D0,0,dbl_mb(iTcgtf),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_fitvc.F... Compiling dft_genspm.F... Compiling dft_get2eri.F... Compiling dft_getspm.F... Compiling dft_getvc.F... Compiling dft_n3c.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Making all in xc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /usr/lib64/mpich/include/ga-wapi.h: No such file or directory Compiling xc_getv.F... Compiling xc_getvxc.F... Compiling xc_exact_pot.F... Compiling xc_sicutil.F... Compiling chk_dens.F... Compiling xc_util.F... xc_util.F:368:55: 363 | xc_getxcfac=rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, | 2 ...... 368 | if(.not.rtdb_get(rtdb, 'dft:libxcon', mt_log, 1, dolibxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). xc_util.F:463:54: 455 | if (.not.rtdb_put(rtdb,'dft:cam_exch', mt_log, 1, cam_exch)) | 2 ...... 463 | if (.not.rtdb_put(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling xc_chkdispauto.F... Compiling xc_vdw_init.F... Compiling 2ndDerivB97.c... 2ndDerivB97.c: In function 'dft_xckernel_cb97_': 2ndDerivB97.c:499:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ 2ndDerivB97.c:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ 2ndDerivB97.c:673:43: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 673 | FC[ _FXC_RA ] = ScalGGAC*(Gec_a0_ra*gcaa + ec_a0*Ggc_aa_ra + 0.0 + Gec_ab_ra*gcab + ec_ab*Ggc_ab_ra); | ~~~~~~~~~^~~~~ 2ndDerivB97.c:500:10: note: 'Gec_a0_ra' was declared here 500 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ 2ndDerivB97.c:675:38: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 675 | FC[ _FXC_RB ] = ScalGGAC*(0.0 + Gec_b0_rb*gcbb + ec_b0*Ggc_bb_rb + Gec_ab_rb*gcab + ec_ab*Ggc_ab_rb); | ~~~~^~~~~~~~~~~~~~~~ 2ndDerivB97.c:501:10: note: 'Gec_b0_rb' was declared here 501 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /usr/lib64/mpich/include/ga-wapi.h: No such file or directory Compiling xc_eval_basis.F... xc_eval_basis.F:2530:20: 1031 | call ycopy(nq, drad, 1, chi, 1) | 2 ...... 2530 | call ycopy(nq,0d0,0,crad,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling a_dist.F... Compiling eumac.F... Compiling qdist.F... Compiling scat_mat.F... Compiling setACmat.F... Compiling xc_becke88.F... Compiling xc_dirac.F... Compiling xc_bnl.F... Compiling xc_dirac_screened.F... Compiling xc_fitv.F... Compiling xc_hfexch.F... Compiling xc_lebedev.F... Compiling xc_lyp88.F... Compiling xc_perdew86.F... Compiling xc_perdew91.F... Compiling xc_pw91lda.F... Compiling xc_pw91ldag.F... Compiling xc_rhogen.F... Compiling xc_tabcd.F... Compiling xc_vwn_1.F... Compiling xc_vwn_1_rpa.F... Compiling xc_vwn_2.F... Compiling xc_vwn_3.F... Compiling xc_vwn_4.F... Compiling xc_vwn_5.F... Compiling xc_eval_fnl.F... xc_eval_fnl.F:2046:29: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'laprho' at (1) (rank-1 and scalar) xc_eval_fnl.F:2046:43: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'lmat' at (1) (rank-1 and scalar) Compiling xc_fd.F... Compiling xc_pbe96.F... xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1062:29: 1062 | if (id_cpbe.eq.1.or.id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:1429:72: 1429 | if (ipol.eq.2) Amat(n,2) = Amat(n,2) + dnepscdn(2)*fac | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ note: 'fac' was declared here xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ Warning: 'dfatnumdt' is used uninitialized [-Wuninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ Warning: 'dfatnumda' is used uninitialized [-Wuninitialized] xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1062:29: 1062 | if (id_cpbe.eq.1.or.id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:1085:72: 1085 | fAtden3 = fAtden2*fAtden | ^ Warning: 'fatden2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:124:30: 124 | double precision fAtden2 | ^ note: 'fatden2' was declared here xc_pbe96.F:1155:72: 1155 | 8 (fAtden4) | ^ Warning: 'dfatnumdt' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumdt' was declared here xc_pbe96.F:1181:72: 1181 | B (fAtden4) | ^ Warning: 'dfatnumda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumda' was declared here xc_pbe96.F:1169:72: 1169 | D + d3fAtnumdt2dA/fAtden | ^ Warning: 'd2fatnumdtda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:48: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdtda' was declared here xc_pbe96.F:1155:72: 1155 | 8 (fAtden4) | ^ Warning: 'd2fatnumdt2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:34: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdt2' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1062:29: 1062 | if (id_cpbe.eq.1.or.id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_hcth.F... Compiling xc_xpbe96.F... Compiling xc_xpw91.F... Compiling xc_tarad.F... Compiling xc_murakn.F... Compiling xc_mitani.F... Compiling xc_mitani_dmr.F... Compiling xc_signf.F... Compiling xc_gill96.F... Compiling xc_xmpw91.F... Compiling xc_xpkzb99.F... Compiling xc_cpkzb99.F... Compiling xc_cMpbe96.F... Compiling xc_xtpss03.F... Compiling xc_ctpss03.F... Compiling xc_oep.F... Compiling xc_sic_pert.F... Compiling xc_sic.F... Compiling localize_sic.F... Compiling xc_optx.F... Compiling xc_optc.F... Compiling xc_atomblock.F... Compiling xc_replicated.F... Compiling xc_ft97.F... Compiling xc_lb94.F... Compiling xc_cs00.F... Compiling xc_op.F... Compiling xc_kop.F... Compiling xc_bc95.F... Compiling xc_xm05.F... xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at9' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:66: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at9' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at8' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:61: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at8' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at7' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:56: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at7' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at6' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:51: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at6' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at5' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:46: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at5' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at4' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:41: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at4' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at3' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:36: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at3' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at2' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:31: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at2' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at11' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:37: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at11' was declared here xc_xm05.F:179:72: 179 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at10' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:31: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at10' was declared here xc_xm05.F:53:26: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at1' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cm05.F... xc_cm05.F:339:72: 339 | W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) | ^ Warning: 'sss4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:54: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss4' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:48: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss3' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:42: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss2' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:36: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss1' was declared here xc_cm05.F:229:72: 229 | dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) | ^ Warning: 'sopp4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:61: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp4' was declared here xc_cm05.F:229:72: 229 | dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) | ^ Warning: 'sopp3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:54: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp3' was declared here xc_cm05.F:229:72: 229 | dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) | ^ Warning: 'sopp2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:47: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp2' was declared here xc_cm05.F:229:72: 229 | dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) | ^ Warning: 'sopp1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:41: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp1' was declared here Compiling xc_xpw6.F... Compiling xc_xvs98.F... Compiling xc_cvs98.F... Compiling xc_xm06.F... Compiling xc_cm06.F... Compiling xc_spbe96.F... Compiling xc_kt1.F... Compiling xc_ssbD_1.F... Compiling xc_s12x.F... Compiling xc_cams12x.F... Compiling xc_camb88.F... Compiling xc_att_xc.F... Compiling xc_camxpbe96.F... Compiling xc_camxlsd.F... Compiling xc_xwpbe.F... Compiling hse08fx.F... Compiling xc_xsogga.F... xc_xsogga.F:177:72: 177 | fb5 = CxB5 *Fexp**F5 | ^ Warning: 'cxb5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:52: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb5' was declared here xc_xsogga.F:176:72: 176 | fb4 = CxB4 *Fexp**F4 | ^ Warning: 'cxb4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:47: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb4' was declared here xc_xsogga.F:360:72: 360 | fb3 = CxB3 *Fexp**F3 | ^ Warning: 'cxb3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:42: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb3' was declared here xc_xsogga.F:359:72: 359 | fb2 = CxB2 *Fexp**F2 | ^ Warning: 'cxb2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:37: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb2' was declared here xc_xsogga.F:57:32: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:171:72: 171 | fa5 = CxA5 *Ffrac**F5 | ^ Warning: 'cxa5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:52: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa5' was declared here xc_xsogga.F:170:72: 170 | fa4 = CxA4 *Ffrac**F4 | ^ Warning: 'cxa4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:47: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa4' was declared here xc_xsogga.F:354:72: 354 | fa3 = CxA3 *Ffrac**F3 | ^ Warning: 'cxa3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:42: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa3' was declared here xc_xsogga.F:353:72: 353 | fa2 = CxA2 *Ffrac**F2 | ^ Warning: 'cxa2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:37: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa2' was declared here xc_xsogga.F:56:32: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:27: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa0' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_xmvs15.F... Compiling xc_xm11.F... Compiling xc_xmn12.F... Compiling xc_xmn15.F... Compiling xc_csogga.F... xc_csogga.F:199:72: 199 | fb5 = CcB(5) *Fexp**F5 | ^ Warning: 'ccb[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[5]' was declared here xc_csogga.F:198:72: 198 | fb4 = CcB(4) *Fexp**F4 | ^ Warning: 'ccb[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[4]' was declared here xc_csogga.F:197:72: 197 | fb3 = CcB(3) *Fexp**F3 | ^ Warning: 'ccb[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[3]' was declared here xc_csogga.F:196:72: 196 | fb2 = CcB(2) *Fexp**F2 | ^ Warning: 'ccb[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[2]' was declared here xc_csogga.F:65:40: Warning: 'ccb[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:193:72: 193 | fa5 = CcA(5) *Ffrac**F5 | ^ Warning: 'cca[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[5]' was declared here xc_csogga.F:192:72: 192 | fa4 = CcA(4) *Ffrac**F4 | ^ Warning: 'cca[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[4]' was declared here xc_csogga.F:191:72: 191 | fa3 = CcA(3) *Ffrac**F3 | ^ Warning: 'cca[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[3]' was declared here xc_csogga.F:190:72: 190 | fa2 = CcA(2) *Ffrac**F2 | ^ Warning: 'cca[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[2]' was declared here xc_csogga.F:65:31: Warning: 'cca[1]' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cm11.F... Compiling steric_energy.F... Compiling xc_3rd_deriv.F... Compiling xc_xpw86.F... Compiling xc_xb86b.F... Compiling xc_xdm.F... xc_xdm.F:29:56: 25 | & lxdm)) lxdm = 0 | 2 ...... 29 | if (.not. rtdb_get(rtdb,'dft:xdmsave', mt_log, 1, savedvml)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling ts_eval_fnl.F... Compiling ts_tf.F... Compiling ts_vw.F... Compiling xc_xn12.F... xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc33' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:211:11: 211 | CC33 = -2.41834D+00 | ^ note: 'cc33' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc32' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:210:11: 210 | CC32 = 7.61661D+01 | ^ note: 'cc32' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc31' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:209:11: 209 | CC31 = -3.44631D+01 | ^ note: 'cc31' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc30' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:208:11: 208 | CC30 = 4.03611D-01 | ^ note: 'cc30' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc23' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:207:11: 207 | CC23 = 1.42738D+02 | ^ note: 'cc23' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc22' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:206:11: 206 | CC22 = -1.66220D+02 | ^ note: 'cc22' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc21' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:205:11: 205 | CC21 = 5.13392D+01 | ^ note: 'cc21' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc20' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:204:11: 204 | CC20 = -3.90755D-01 | ^ note: 'cc20' was declared here xc_xn12.F:290:72: 290 | $ 3.0d0*CC32*FV**2*U**2+3.0d0*CC33*FV**2*U**3 | ^ Warning: 'cc13' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:203:11: 203 | CC13 = -7.01726D+01 | ^ note: 'cc13' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc12' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:202:11: 202 | CC12 = 6.50814D+01 | ^ note: 'cc12' was declared here xc_xn12.F:290:72: 290 | $ 3.0d0*CC32*FV**2*U**2+3.0d0*CC33*FV**2*U**3 | ^ Warning: 'cc11' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:201:11: 201 | CC11 = -1.71008D+01 | ^ note: 'cc11' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc10' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:200:11: 200 | CC10 = 8.60211D-02 | ^ note: 'cc10' was declared here xc_xn12.F:199:11: 199 | CC03 = 1.28887D-01 | ^ Warning: 'cc03' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:198:11: 198 | CC02 = 1.68233D-01 | ^ Warning: 'cc02' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:197:11: 197 | CC01 = 5.07880D-01 | ^ Warning: 'cc01' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:196:11: 196 | CC00 = 1.00000D+00 | ^ Warning: 'cc00' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_xscan.F... xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[6]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[6]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[5]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[4]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[3]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[2]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[1]' was declared here xc_xscan.F:232:72: 232 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:145:31: 145 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_xscan.F:281:72: 281 | Fx = G*(H + Fa*(rH0 - H)) | ^ Warning: 'fa' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:149:29: 149 | double precision Fx, Fa | ^ note: 'fa' was declared here xc_xscan.F:323:72: 323 | dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 | ^ Warning: 'exp5' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:51: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp5' was declared here xc_xscan.F:323:72: 323 | dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 | ^ Warning: 'exp4' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:45: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp4' was declared here xc_xscan.F:145:42: 145 | double precision regalpha, dregalpha | ^ Warning: 'dregalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:334:72: 334 | dFxda = G*(dHda + dFada*(rH0 - H) - Fa*dHda) | ^ Warning: 'dfada' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:154:28: 154 | double precision dFada | ^ note: 'dfada' was declared here xc_xscan.F:159:37: 159 | double precision dadp,dadg,dadt,dadr | ^ Warning: 'dadt' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:336:72: 336 | dFxdr = dFxda*dadr + dFxdp*dpdr | ^ Warning: 'dadr' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:42: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadr' was declared here xc_xscan.F:337:72: 337 | dFxdg = dFxda*dadg + dFxdp*dpdg | ^ Warning: 'dadg' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:32: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadg' was declared here xc_xscan.F:294:72: 294 | dadr = F53*(p-a)*rrho | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:135:32: 135 | double precision p, p14, a, g2 | ^ note: 'a' was declared here Compiling xc_cscan.F... xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'fca' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:115:26: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ note: 'fca' was declared here xc_cscan.F:115:33: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ Warning: 'dfcada' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:346:72: 346 | & ntot*dfcada*dalphadt*(Ec0-Ec1) | ^ Warning: 'dalphadt' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:67: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadt' was declared here xc_cscan.F:332:72: 332 | & ntot*(dEc1dn + fca*(dEc0dn-dEc1dn) + dfcadn*(Ec0-Ec1)) | ^ Warning: 'dalphadn' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:49: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadn' was declared here xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'dalphadg' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:58: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadg' was declared here xc_cscan.F:381:72: 381 | dalphadzeta = -alpha*ddsdzeta/ds | ^ Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:28: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'alpha' was declared here Compiling xc_xscanl.F... Compiling xc_cscanl.F... xc_cscanl.F:355:72: 355 | Amat(n,2) = Amat(n,2) + vcn + ntot*dfcadt*(Ec0-Ec1)*dtdnb | ^ Warning: 'dtdnb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:35: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdnb' was declared here xc_cscanl.F:112:63: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ Warning: 'dtdlb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:359:72: 359 | & dfcadt*(Ec0-Ec1)*dtdgb) | ^ Warning: 'dtdgb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:49: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdgb' was declared here Compiling ts_pc.F... Compiling xc_xncap.F... Compiling xc_xr2scan.F... Compiling xc_xr2scanl.F... Compiling xc_cr2scan.F... Compiling xc_cr2scanl.F... Compiling xc_hcth_extra.F... Compiling xc_rhogen_adft.F... Compiling xc_tabcd_adft.F... Compiling xc_vdw_main.F... xc_vdw_main.F:516:53: 479 | if (.not.rtdb_get(rtdb,'dft:ivdw',MT_INT,1,ivdw)) | 2 ...... 516 | if (.not.rtdb_get(rtdb,'dft:vdwalpha',MT_DBL,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling xc_vdw_util.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /usr/lib64/mpich/include/ga-wapi.h: No such file or directory Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' Making all in util make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Compiling ga_chol.F... Compiling ga_inverse.F... Compiling ga_chol_seq.F... Compiling ga_inv_seq.F... Compiling dft_invio.F... Compiling dft_print_mats.F... dft_print_mats.F:85:27: 62 | call ga_get(g_s, ibf, ibf, jbf, jbf, val, 1) | 2 ...... 85 | call ga_get(g_svecs, ibf, ibf, jbf, jbf, val, 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_save_mats.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Compiling dft_gather.F... Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... Compiling dft_tstamp.F... Compiling dft_pstrace.F... Compiling get_col.F... Compiling movecs_log.F... Compiling nbf_to_mbf.F... Compiling dft_frozemb.F... Compiling dft_frozemb_fde.F... dft_frozemb_fde.F:238:20: 37 | if (rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) then | 2 ...... 238 | & mt_dbl,1,tol2e_sleazy)) tol2e_sleazy = 1.d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_frozemb_fde.F:360:41: 360 | call grid_quadv0_fde(rtdb, g_dens, g_electronic_fde, | 1 Warning: Rank mismatch in argument 'g_vxc' at (1) (rank-1 and scalar) dft_frozemb_fde.F:492:31: 202 | call dfill(nbf_fde, 0.0d0, dbl_mb(k_svals), 1) | 2 ...... 492 | call dfill(mbf_ao*mbf_ao,0,dbl_mb(k_fock_fde),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling int_1e_fde.F... Compiling sca_lab_mat.F... Compiling dft_utilmap.F... dft_utilmap.F:68:41: 68 | integer lo(3),hi(3),ld(2),ld12,offs | ^ Warning: 'offs' may be used uninitialized [-Wmaybe-uninitialized] Compiling dft_genutils.F... dft_genutils.F:45:72: 45 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dft_genutils.F:125:28: 36 | call ga_check_handle (g_a, | 2 ...... 125 | call ga_check_handle (g_a, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:128:23: 39 | call ga_inquire (g_a, dtype, n1, n2) | 2 ...... 128 | call ga_inquire (g_a, dtype, n1, n2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:134:72: 134 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_cholinv.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Making all in grid make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Compiling grid_sic.F... Compiling grid_checks.F... Compiling grid_balance.F... Compiling grid_rtrunc.F... grid_rtrunc.F:110:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 109 | if(llind) then 110 | call ga_dgop(msg_igop_tru1,exex,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:112:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 112 | call ga_dgop(msg_igop_tru4,shiftm,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:116:33: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 116 | call ga_dgop(msg_igop_tru6,minexp,ncenters,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_atom_type_info.F... Compiling grid_setquad.F... Compiling grid_setrad.F... grid_setrad.F:121:58: 46 | & tol_reset)) tol_reset = .true. | 2 ...... 121 | if (.not. rtdb_get(rtdb,'dft:braggmult', mt_dbl, 1, braggmult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_setang.F... Compiling grid_invariant.F... grid_invariant.F:235:19: 151 | call ycopy(9,0d0,0,qrot, 1) | 2 ...... 235 | call ycopy(9,qrot,1,qin,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_invariant.F:107:22: 107 | call ycopy(9,qrot,1,c,1) | 1 ...... 151 | call ycopy(9,0d0,0,qrot, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling grid_list.F... Compiling grid_setspac_params.F... Compiling grid_acc_def.F... grid_acc_def.F:305:57: 286 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 305 | if (.not. rtdb_get(rtdb, 'dft:ngridin', mt_int, 1, ngridin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_acc_def.F:567:56: 389 | & job_grid_acc)) | 2 ...... 567 | if (.not. rtdb_put(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling grid_memory.F... Compiling grid_update_rtdb.F... grid_update_rtdb.F:33:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 33 | if (.not. rtdb_put(rtdb,'dft:nrad', mt_int, dft_ntags_bsmx, nrad)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_update_rtdb.F:36:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 36 | if (.not. rtdb_put(rtdb,'dft:nang', mt_int, dft_ntags_bsmx, nang)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_tasks.F... Compiling grid_gen_pts.F... Compiling grid_setspac.F... Compiling grid_neighb.F... Compiling grid_cleanup.F... Compiling grid_gaussq.F... Compiling grid_finpts.F... Compiling grid_init.F... grid_init.F:83:22: 30 | if (.not. rtdb_get(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 2 ...... 83 | $ MT_LOG, 1, dosympts)) dosympts=oskel | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling grid_loop.F... Compiling grid_xcfit.F... Compiling dftg_loop.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Compiling grid_pscreen.F... Compiling grid_sphere.F... Compiling grid_ssw.F... Compiling grid_sswold.F... grid_sswold.F:91:72: 91 | radwgh=(1.d0-ass)*sqrt(distnn)*0.5d0 | ^ Warning: 'ass' may be used uninitialized [-Wmaybe-uninitialized] grid_sswold.F:36:26: 36 | double precision ass,distnc,distnn,wsum | ^ note: 'ass' was declared here Compiling grid_beckew.F... Compiling grid_signf.F... Compiling grid_quadvw.F... Compiling grid_quadvw1.F... Compiling grid_bucket.F... Compiling grid_utils.F... Compiling grid_sympts.F... grid_sympts.F:146:17: 146 | , log10((abs(wsum-1d0))), UNKNOWN_ERR) | 1 ...... 193 | ' ' grid_c5trash: mpush get failed',1, MA_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling grid_qpts.F... Compiling grid_quadv0.F... grid_quadv0.F:463:72: 463 | & dbl_mb(irdens_atom), nbf_xc_mxnbf_ce) | 1 Warning: More actual than formal arguments in procedure call at (1) grid_quadv0.F:617:51: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 617 | & call errquit(pname//'failed duplicate',g_vxc, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:779:60: 197 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 779 | if (.not. rtdb_get(rtdb, 'dft:iAOacc', mt_int, 1, iAOacc))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_quadv0.F:911:47: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 911 | & call errquit(pname//'failed destroy',g_fde, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'ixyz_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:149:22: 149 | integer ixyz_fde, lxyz_fde | ^ note: 'ixyz_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:135:36: 135 | integer lCmat3_fde, iCmat3_fde | ^ note: 'icmat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:134:36: 134 | integer lCmat2_fde, iCmat2_fde | ^ note: 'icmat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:132:36: 132 | integer lAmat3_fde, iAmat3_fde | ^ note: 'iamat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:131:36: 131 | integer lAmat2_fde, iAmat2_fde | ^ note: 'iamat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icetobfr_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:125:26: 125 | integer icetobfr_fde, lcetobfr_fde | ^ note: 'icetobfr_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'irdens_atom_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:126:29: 126 | integer irdens_atom_fde, lrdens_atom_fde | ^ note: 'irdens_atom_fde' declared here Compiling grid_quadv0a.F... grid_quadv0a.F:237:34: 237 | call ga_dgop(Msg_Excrho, StericEnergyTotal , 1, '+') ! sum energy over all nodes | 1 ...... 274 | call ga_dgop(2015, q_becke , ncenters, '+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0a.F:243:9: 243 | if(oprint_qbecke) then | ^ Warning: 'oprint_qbecke' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0a.F:63:27: 63 | logical oprint_qbecke | ^ note: 'oprint_qbecke' was declared here Compiling grid_quadv0b.F... grid_quadv0b.F:302:11: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:302:30: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:745:28: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 745 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:770:48: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:770:53: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:778:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 778 | & .false.,0d0,0d0, dbl_mb(k_scr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:806:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 806 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:830:26: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 830 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:467:72: 467 | & ttau_fde, kske, do_xdm) | ^ Warning: 'ilap_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0b.F:92:32: 92 | integer llap_fde, ilap_fde | ^ note: 'ilap_fde' was declared here Compiling grid_quadvc.F... Compiling grid_file.F... Compiling grid_eaf.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Making all in dftgrad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Compiling dft_grad_top.F... Compiling dftg_getxc.F... Compiling dft_gradients.F... dft_gradients.F:544:52: 143 | if (.not.rtdb_get(rtdb,'dft:cgmin', mt_log, 1, cgmin)) | 2 ...... 544 | if (.not.rtdb_get(rtdb, 'dft:xdm', mt_int, 1, xdmdisp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_gradients.F:571:22: 550 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 2 ...... 571 | $ lforce, dbl_mb(k_force))) call errquit | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_gradients.F:616:34: 614 | call intdd_init(rtdb,2,nmo) | 2 615 | else 616 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients.F:657:33: 655 | call intd_init(rtdb,2,nmo) | 2 656 | else 657 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling grad_dft.F... Compiling dftg_getcden.F... Compiling dftg_getxden.F... Compiling dftg_gridpart.F... Compiling dftg_gridv0a.F... dftg_gridv0a.F:147:56: 144 | if (.not. rtdb_get(rtdb, 'dft:lcdft', mt_log, 1, lcdft)) | 2 ...... 147 | if (.not. rtdb_get(rtdb, 'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dftg_gridv0a.F:162:72: 162 | & call errquit('dft_gridv0a: get multipliers failed', 0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dftg_gridv0.F... dftg_gridv0.F:195:9: 177 | if (.not. rtdb_get(rtdb, 'dft:grad_nq', mt_int, 1, nqstep)) | 2 ...... 195 | & ldew))ldew=.true. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dftg_gridv0.F:33:28: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) dftg_gridv0.F:33:33: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-1 and scalar) Compiling dftg_gridv0b.F... dftg_gridv0b.F:332:22: 294 | & natoms, 1,1,1, | 2 ...... 332 | N natoms, curatoms, ncuratoms, 1, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dftg_gridv0b.F:574:14: 549 | & 0d0,0,3*ncuratoms, | 2 ...... 574 | & curatoms, ncuratoms, 1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dftg_griddo.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Compiling dftg_cdfit.F... dftg_cdfit.F:31:43: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_cdfit.F:31:48: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) dftg_cdfit.F:31:51: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'db' at (1) (rank-3 and scalar) Compiling dftg_quadv0b.F... Compiling dftg_grad2.F... dftg_grad2.F:35:45: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_grad2.F:35:51: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) Compiling dint_block_j.F... Compiling j_nucder_gen.F... j_nucder_gen.F:21:55: 21 | call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) j_nucder_gen.F:38:49: 38 | call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dftg_beckew.F... Compiling dftg_wderiv.F... Compiling dftg_gridssw.F... dftg_gridssw.F:163:34: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ Warning: 'dmu1' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:163:39: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ Warning: 'dmu2' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:291:72: 291 | dbmuba(3) = -(zi/rq(n,B) + mu*dmu3)*Rij(ij) | ^ Warning: 'dmu3' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridssw.F:163:44: 163 | double precision mu,mu1,dmu1,dmu2,dmu3,dmu1dmu | ^ note: 'dmu3' was declared here Compiling dftg_gridsswold.F... dftg_gridsswold.F:241:72: 241 | dmu1dmu=dmu1dmu*alpha_erf | ^ Warning: 'alpha_erf' may be used uninitialized [-Wmaybe-uninitialized] dftg_gridsswold.F:46:41: 46 | double precision xa,ya,za,alpha_erf | ^ note: 'alpha_erf' was declared here Compiling dftg_signf.F... Compiling dftg_quadv0b_adft.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Making all in lr_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Compiling tddft_energy.F... tddft_energy.F:163:54: 135 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 163 | if (.not.rtdb_get(rtdb,'tddft:ipolar',mt_int,1,ipolar)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_energy.F:308:56: 210 | if (.not. rtdb_put(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 2 ...... 308 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling tddft_input.F... tddft_input.F:105:53: 99 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 2 ...... 105 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_input.F:414:56: 170 | if (.not.rtdb_get(rtdb,'tddft:singlet',mt_log,1,singlet)) | 2 ...... 414 | if (.not.rtdb_get(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_init.F... tddft_init.F:151:55: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 151 | if (.not.rtdb_get(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tddft_init.F:200:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 200 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:202:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 202 | if (.not.rtdb_get(rtdb,'dft:nlxfac',mt_log,numfunc,nlxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:204:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 204 | if (.not.rtdb_get(rtdb,'dft:lcfac',mt_log,numfunc,lcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:206:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 206 | if (.not.rtdb_get(rtdb,'dft:nlcfac',mt_log,numfunc,nlcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:208:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 208 | if (.not.rtdb_get(rtdb,'dft:xccomb',mt_log,numfunc,xccomb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:248:52: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 248 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_init.F:380:57: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 380 | if (.not.rtdb_put(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:382:55: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 382 | if (.not.rtdb_put(rtdb,'tddft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_memory.F... Compiling tddft_iguess.F... tddft_iguess.F:172:64: 168 | status = rtdb_get(rtdb,'tddft:lsimpleso',mt_log,1,lsimpleso) | 2 ...... 172 | if(.not.rtdb_get(rtdb,'simpleso:evlso',mt_dbl,2*nbf_ao,evlso)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_dump.F... Compiling tddft_davidson.F... tddft_davidson.F:262:51: 254 | if (.not.rtdb_get(rtdb,'tddft:check',mt_log,1,lcheck)) | 2 ...... 262 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_transfm.F... Compiling tddft_contract.F... Compiling tddft_epsilon.F... Compiling tddft_subspace.F... Compiling tddft_diagon.F... Compiling tddft_residual.F... Compiling tddft_analysis.F... tddft_analysis.F:240:46: 215 | if (.not.rtdb_get(rtdb,'tddft:do_s2',mt_log,1,do_s2)) | 2 ...... 240 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_analysis.F:1755:53: 1438 | + 1,osc_str)) then | 2 ...... 1755 | if (.not.rtdb_put(rtdb,'tddft:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1774:40: 1438 | + 1,osc_str)) then | 2 ...... 1774 | $ 'tddft:wgsrf_cosmo_vem',mt_dbl,1,wgsrf_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1782:40: 1438 | + 1,osc_str)) then | 2 ...... 1782 | $ 'tddft:wstar_cosmo_vem',mt_dbl,1,wstar_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_dftinit.F... Compiling tddft_finalize.F... Compiling tddft_schmidt.F... Compiling tddft_fold.F... Compiling tddft_bdtensor.F... Compiling tddft_patch.F... Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... Compiling tddft_checkpoint.F... Compiling tddft_restart.F... tddft_restart.F:94:42: 75 | call ga_brdcst(Msg_Vec_NBF+MSGINT, ios, inntsize, 0) | 2 ...... 94 | call ga_brdcst(Msg_Vec_stat+MSGINT, nov_verify, 2*inntsize, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_s2.F... Compiling tddft_simpleso.F... Compiling tddft_lanczos.F... tddft_lanczos.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_lanczos_tda.F... tddft_lanczos_tda.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos_tda.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_dipole.F... Compiling tddft_prod_v.F... tddft_prod_v.F:161:51: 159 | if (.not.rtdb_get(rtdb,'tddft:lecut',mt_log,1,lecut)) | 2 160 | & lecut = .false. 161 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_basis.F... tddft_basis.F:105:29: 61 | call int_init(rtdb, 1, cd_bas_han) | 2 ...... 105 | call int_init(rtdb,2,(/ao_bas_han,cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Compiling tddft_fock_fit.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Making all in lr_tddft_grad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Compiling tddft_gradient.F... tddft_gradient.F:154:55: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 154 | if (rtdb_get(rtdb,'tddft_grad:debug', mt_log, 1, odebug)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:475:61: 206 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 475 | if (.not. rtdb_put(rtdb,'dft:converged', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:486:49: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 486 | if(rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_init.F... tddft_grad_init.F:179:56: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 179 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). tddft_grad_init.F:201:53: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 201 | if (.not.rtdb_get(rtdb,'dft:delta_ac',mt_dbl,1,shift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_init.F:412:24: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 412 | + solve_thresh)) solve_thresh=1.0d-4 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_input.F... tddft_grad_input.F:45:19: 37 | & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR) | 2 ...... 45 | & 1,solve_thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tddft_grad_finalize.F... Compiling tddft_grad_print_info.F... Compiling tddft_grad_ints.F... Compiling tddft_grad_print_header.F... Compiling tddft_grad_e.F... Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... Compiling tddft_grad_xy.F... Compiling tddft_grad_load_mo.F... Compiling tddft_grad_load_xy.F... Compiling tddft_grad_tp.F... Compiling tddft_grad_compute_t.F... Compiling tddft_grad_r.F... Compiling tddft_grad_compute_r.F... tddft_grad_compute_r.F:644:60: 182 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 644 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_trans_mo2ao.F... Compiling tddft_grad_trans_ao2mo.F... Compiling tddft_grad_mat_to_vec.F... Compiling tddft_grad_solve.F... Compiling tddft_grad_epsilon.F... Compiling tddft_grad_solve_product.F... tddft_grad_solve_product.F:125:19: 91 | call ga_zero(g_x_3d_ao) | 2 ...... 125 | call ga_zero(g_Ax_3d_mo) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_solve_precond.F... Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.F... tddft_grad_compute_w.F:565:60: 473 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 565 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_g.F... Compiling tddft_grad_compute_dao.F... Compiling tddft_grad_get_dens.F... Compiling tddft_grad_compute_g.F... tddft_grad_compute_g.F:823:42: 621 | call tddft_grad_print_array(ipol,1,g_d,dble(ipol)) | 2 ...... 823 | call tddft_grad_print_array(1,1,g_wp_ao,dble(ipol)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:850:39: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 850 | & dbl_mb(k_frc_df0), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:932:47: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 932 | & g_dtmp, dbl_mb(k_frc_dft), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_grad_1e.F... Compiling tddft_grad_grad_2e.F... Compiling tddft_grad_make_2pdm.F... Compiling tddft_grad_print_result.F... Compiling tddft_grad_print_array.F... Compiling tddft_grad_compute_energy.F... Compiling tddft_grad_anti_symmetrize.F... Compiling tddft_grad_gxc.F... Compiling tddft_grad_irreg_acc.F... Compiling tddft_grad_fxc_l.F... Compiling tddft_grad_fix_exc.F... Compiling tddft_grad_store_gradient.F... Compiling tddft_grad_util_print.F... Compiling tddft_grad_solve_load_x.F... tddft_grad_solve_load_x.F:121:28: 106 | call ga_brdcst(1001,x_exists,ma_sizeof(MT_LOG,1,MT_BYTE),0) | 2 ...... 121 | call ga_brdcst(1002,itpol,ma_sizeof(MT_INT,1,MT_BYTE),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_solve_save_x.F... Compiling tddft_grad_dxcdmat.F... Compiling tddft_grad_dfxc.F... Compiling tddft_grad_quadv0b.F... Compiling tddft_grad_dvxc.F... Compiling tddft_grad_mpole.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Making all in zora make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Compiling dft_zora_utils.F... dft_zora_utils.F:281:32: 67 | status=rtdb_get(rtdb,'prop:efgfile',mt_int,1,efgfile) ! for NLMO analysis | 2 ...... 281 | & mt_log,1,skip_csAOev)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_utils.F:198:72: 198 | scale_MO=scf_dbl*focc(ind_occ) | ^ Warning: 'scf_dbl' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_utils.F:44:50: 44 | double precision eval_scal,ener_scal,scf_dbl | ^ note: 'scf_dbl' was declared here Compiling dft_zora_utils_so.F... dft_zora_utils_so.F:284:29: 283 | call ga_dgop(20166102, evals, noc, '+') | 2 284 | call ga_dgop(20166103, ener_scal, 1, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_zora_rhos.F... dft_zora_rhos.F:560:41: 560 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:564:38: 553 | $ 1,efgz4atoms)) | 2 ...... 564 | $ efgz4atoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_rhos.F:570:41: 570 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:368:19: 368 | call ga_zero(g_orbi) | 1 ...... 492 | call ga_zero(g_densZ4(ispin)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:369:18: 369 | call ga_put(g_orbi,1,nbf,iorb,iorb, | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:373:27: 317 | & g_orb,g_orb,0.d00,g_dens_sf) | 2 ...... 373 | & g_orbj,g_orbi,0.d00,g_dens_sf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:376:27: 376 | if (.not. ga_destroy(g_orbi)) call errquit( | 1 ...... 514 | if (.not. ga_destroy(g_dens_sf)) call errquit( | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'ipol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:453:24: 453 | integer ispin,ipol,iorb,porb,nbf | ^ note: 'ipol' declared here dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'noc1' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:458:18: 458 | integer noc1 ! Total # of occupied MOs | ^ note: 'noc1' declared here Compiling dft_zora_rhos_so.F... dft_zora_rhos_so.F:746:15: 738 | if (.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1,nefc)) | 2 ...... 746 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_zora_rhos_so.F:851:49: 849 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 850 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 851 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling gridNuclearPotential.F... Compiling gridHartreePotential.F... Compiling gridQpqPotential.F... Compiling grid_moments.F... Compiling zora_getv_EFGZ4_SR.F... Compiling calc_zora_EFGZ4_SR.F... Compiling zora_getv_EFGZ4_SO.F... Compiling calc_zora_EFGZ4_SO.F... Compiling dft_zora_NMR.F... dft_zora_NMR.F:1086:37: 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 ...... 1086 | $ giaoatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_NMR.F:66:32: 66 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling zora_getv_NMRCS_SR.F... Compiling calc_zora_NMRCS_SR.F... Compiling dft_zora_EPR.F... dft_zora_EPR.F:47:32: 47 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 424 | status=rtdb_get(rtdb,'prop:gshiftfile',mt_int,1,gshiftfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_EPR.F:376:72: 376 | factor=(-0.25d0)*coeffpol*ppt | ^ Warning: 'coeffpol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_EPR.F:339:39: 339 | double precision toac(2),coeffpol,toscale | ^ note: 'coeffpol' was declared here Compiling dft_zora_EPR-NMR_tools.F... dft_zora_EPR-NMR_tools.F:1572:37: 294 | call ga_get(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1572 | call ga_get(g_z1,1,n1,m1,m1,dcpl_mb(k_z),n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). dft_zora_EPR-NMR_tools.F:1777:48: 530 | call ga_put(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1777 | call ga_put(g_z1,idat,idat,ivec,ivec,val_cmplx,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling zora_getv_EPR.F... Compiling calc_zora_EPR.F... Compiling dft_zora_Hyperfine.F... dft_zora_Hyperfine.F:1515:38: 1504 | $ 1,hfineatoms)) | 2 ...... 1515 | $ hfineatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_Hyperfine.F:48:32: 48 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 1504 | $ 1,hfineatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_Hyperfine.F:814:72: 814 | & nexc) | ^ Warning: 'k_zetanuc' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_Hyperfine.F:782:33: 782 | integer l_zetanuc,k_zetanuc | ^ note: 'k_zetanuc' declared here Compiling zora_getv_HFine.F... Compiling calc_zora_HFine.F... Compiling zora_getv_sf.F... zora_getv_sf.F:294:72: 294 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here zora_getv_sf.F:293:72: 293 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here Compiling zora_getv_so.F... zora_getv_so.F:283:72: 283 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here zora_getv_so.F:282:72: 282 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here Compiling calc_EFG.F... Compiling calc_zora_sf.F... Compiling calc_zora_so.F... Compiling calc_zora_facs.F... Compiling get_ints_zora.F... Compiling zora_recalc.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Making all in spec make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Compiling dft_vspec.F... dft_vspec.F:108:57: 75 | if (.not. rtdb_get(rtdb,'dft:write_vspec',mt_log,1,write_vspec)) | 2 ...... 108 | if (.not. rtdb_get(rtdb,'dft:nexcite_win',mt_int,1,nexcite_win)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_vspec_so.F... Compiling dft_xps.F... Compiling dft_polfromsos.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Making all in rt_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Compiling rt_tddft.F... rt_tddft.F:60:9: 56 | & cam_exch)) cam_exch=.false. | 2 ...... 60 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Making all in matutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Compiling convert_d2z.F... Compiling convert_z2d.F... Compiling pack_buffer2ga.F... pack_buffer2ga.F:138:39: 60 | call ga_put (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 138 | call ga_put (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pack_ga2buffer.F... pack_ga2buffer.F:133:39: 57 | call ga_get (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 133 | call ga_get (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling matutils.F... matutils.F:458:72: 458 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:489:42: 473 | call ga_put (g_a, i,i,i,i, one, 1) | 2 ...... 489 | call ga_put (g_a, i,i,i,i, zone, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). matutils.F:499:72: 499 | call errquit (pname//"unsupported data type") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:399:72: 399 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:339:72: 339 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:196:72: 196 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:542:72: 542 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:920:72: 920 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) Compiling dmat_io.F... dmat_io.F:52:72: 52 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dmat_io.F:154:72: 154 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_diag.F... zmat_diag.F:591:72: 591 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:451:72: 451 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:66:72: 66 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:701:72: 701 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_inv.F... zmat_inv.F:240:72: 240 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_inv.F:62:72: 62 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_checksum.F... zmat_checksum.F:44:72: 44 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_spectral_range.F... zmat_spectral_range.F:55:72: 55 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_max_abs_elem.F... zmat_max_abs_elem.F:47:72: 47 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_compare.F... Compiling elem_compare.F... Compiling calc_array_partitioning.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Making all in rtutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... Compiling rt_tddft_output.F... rt_tddft_output.F:427:72: 427 | call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:428:72: 428 | call rt_tddft_print_val (params, tt, energies%core, "Ecore") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:429:72: 429 | call rt_tddft_print_val (params, tt, energies%coul, "Ecoul") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:430:72: 430 | call rt_tddft_print_val (params, tt, energies%xc(1), "Exc(1)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:431:72: 431 | call rt_tddft_print_val (params, tt, energies%xc(2), "Exc(2)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:432:72: 432 | call rt_tddft_print_val (params, tt, energies%tot, "Etot") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:434:72: 434 | $ energies%tot - energies%gs, "Eadded") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:467:72: 467 | call rt_tddft_print_msg (params, tt, "No applied E-field") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:650:72: 650 | $ charge_tot, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_calc.F... rt_tddft_calc.F:363:31: 171 | call rt_tddft_geom_mask (params, params%g_dip%x, ig, g_dip_maskd) | 2 ...... 363 | call rt_tddft_geom_mask (params, g_dscr1, ig, g_dscr2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_movecs_gs.F... Compiling rt_tddft_movecs_import.F... rt_tddft_movecs_import.F:330:72: 330 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:363:72: 363 | $ mo_nsets, mo_ns_mo) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:386:72: 386 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:576:72: 576 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:642:72: 642 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:661:72: 661 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_moocc.F... Compiling rt_tddft_atpoint.F... Compiling rt_tddft_snapshot.F... rt_tddft_snapshot.F:205:72: 205 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:276:20: 276 | itreference = rt_tddft_find_itreference (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:287:72: 287 | $ params%viz_treference, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:314:13: 314 | if (rt_tddft_at_snap (params, tt)) then | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:328:72: 328 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:332:72: 332 | $ fname_tail_cube) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_geom_mask.F... rt_tddft_geom_mask.F:46:72: 46 | $ call errquit (pname//"g_full must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:61:72: 61 | $ call errquit (pname//"g_maskd must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:69:72: 69 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:73:72: 73 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:81:72: 81 | $ call errquit (pname//"bad ig: ", ig, 0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:99:72: 99 | $ call errquit (pname//"failed to create fullre",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:103:72: 103 | $ call errquit (pname//"failed to create fullim",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:116:72: 116 | $ call errquit (pname//"failed to destroy fullre", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:119:72: 119 | $ call errquit (pname//"failed to destroy fullim", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:122:72: 122 | call errquit (pname//"bad data type for g_full",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling rt_tddft_estimate_rem.F... Compiling rt_tddft_vec_quad.F... Compiling rt_tddft_excite.F... rt_tddft_excite.F:376:47: 376 | val = val * rt_tddft_hann_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:378:51: 378 | val = val * rt_tddft_gaussian_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:380:51: 380 | val = val * rt_tddft_sin2ramp_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:80:72: 80 | call rt_tddft_update_fields (params, tt) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_excite.F:94:33: 94 | call rt_tddft_vec_zero (params%geom(igeom)%vec(1)) !alpha | 1 ...... 412 | call rt_tddft_vec_zero (fvec) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_vector_t)/TYPE(rt_vector_t)). Compiling rt_tddft_checkpoint.F... Compiling rt_tddft_zora_scale.F... Compiling rt_tddft_project.F... rt_tddft_project.F:221:72: 221 | call rt_tddft_project (params, "F", g_za, g_zb, g_zaproj, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:223:72: 223 | $ g_zaproj, g_zb, g_zaback, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:368:72: 368 | $ g_za, g_movecs_gs, g_zaproj) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:370:72: 370 | $ g_zaproj, g_movecs_gs, g_zaback) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_zdens_tot_movecs.F... Compiling rt_tddft_restart.F... rt_tddft_restart.F:240:29: 237 | call ga_brdcst(100001, it_in, msglen, 0) | 2 ...... 240 | call ga_brdcst(100002, tt_in, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_restart.F:284:31: 101 | call rt_tddft_print_msg (params, tt, "Saved restart file") | 2 ...... 284 | call rt_tddft_print_msg (params, tt, "Loaded restart file") | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_mocap.F... Compiling rt_tddft_calc_dip_contribs.F... rt_tddft_calc_dip_contribs.F:207:25: 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) | 2 ...... 207 | $ g_zPgsint(1), 0d0, g_zPgsmo(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling rt_tddft_spatialcap.F... Compiling rt_tddft_spatial_potential.F... rt_tddft_spatial_potential.F:111:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 111 | $ mt_int, 3, nq)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). rt_tddft_spatial_potential.F:115:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 115 | $ mt_dbl, 3, qmin_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_spatial_potential.F:119:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 119 | $ mt_dbl, 3, qmax_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rt_tddft_complex_evals.F... rt_tddft_complex_evals.F:246:29: 242 | call ga_brdcst(100001, diff, msglen, 0) | 2 ...... 246 | call ga_brdcst(100002, imax, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Making all in input make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Compiling rt_tddft_input_put_defaults.F... rt_tddft_input_put_defaults.F:110:20: 63 | $ mt_log,1,.true.)) | 2 ...... 110 | $ mt_dbl,1,tol_zero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling rt_tddft_input_field.F... rt_tddft_input_field.F:218:72: 218 | call rt_tddft_field_rtdb_get (rtdb, i, prev_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_input_field.F:467:72: 467 | call rt_tddft_field_rtdb_put (rtdb, nfields, this_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) Compiling rt_tddft_input_print.F... Compiling rt_tddft_input_excite.F... rt_tddft_input_excite.F:223:72: 223 | call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) | 1 Warning: Type mismatch in argument 'excite' at (1); passed TYPE(rt_excite_t) to TYPE(rt_excite_t) Compiling rt_tddft_input_tolerances.F... Compiling rt_tddft_input_visualization.F... rt_tddft_input_visualization.F:131:59: 119 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_tstart',mt_dbl,1,tstart)) | 2 ...... 131 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_subgs',mt_log,1,lsubgs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_input_mocap.F... rt_tddft_input_mocap.F:120:61: 103 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_maxval',mt_dbl,1,maxval)) | 2 ...... 120 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_print',mt_log,1,lprint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_input_spatialcap.F... rt_tddft_input_spatialcap.F:227:60: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 227 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_active',mt_log,1,lactive)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). rt_tddft_input_spatialcap.F:235:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 235 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmin',mt_dbl,3,qmin)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_spatialcap.F:239:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 239 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmax',mt_dbl,3,qmax)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rt_tddft_input.F... rt_tddft_input.F:136:22: 65 | $ mt_int,1,nfields)) | 2 ...... 136 | $ 1,use_dmat)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rt_tddft_input.F:373:72: 373 | call errquit (pname//"invalid propagator: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:400:72: 400 | call errquit (pname//"BCH exp disabled"//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:404:72: 404 | $ "invalid exponentiation method: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Making all in init make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Compiling rt_tddft_init_coulcdfit.F... rt_tddft_init_coulcdfit.F:217:72: 217 | params%iwhat_max = iwhat_max | ^ Warning: 'iwhat_max' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:39:23: 39 | integer iwhat_max | ^ note: 'iwhat_max' was declared here rt_tddft_init_coulcdfit.F:218:72: 218 | params%n_semi_bufs = n_semi_bufs | ^ Warning: 'n_semi_bufs' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:38:43: 38 | integer n3c_int, n3c_dbl, n_semi_bufs | ^ note: 'n_semi_bufs' was declared here rt_tddft_init_coulcdfit.F:219:72: 219 | params%fd = fd | ^ Warning: 'fd' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:44:16: 44 | integer fd | ^ note: 'fd' was declared here Compiling rt_tddft_init_zora.F... Compiling rt_tddft_init_dip_quad_ints.F... Compiling rt_tddft_init_fock2e.F... Compiling rt_tddft_init_geoms.F... Compiling rt_tddft_init_rtdb.F... rt_tddft_init_rtdb.F:38:22: 26 | $ mt_dbl, 1, params%dt)) call errquit (pname// | 2 ...... 38 | $ mt_int, 1, params%nchecks)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rt_tddft_init_check_params.F... rt_tddft_init_check_params.F:41:72: 41 | call rt_tddft_init_check_fields (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_init_overlap_canorg.F... Compiling rt_tddft_init_common.F... rt_tddft_init_common.F:79:22: 66 | $ mt_dbl, 1, local_d_conv)) then | 2 ...... 79 | $ mt_log, 1, dft_converged)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_clean.F... Compiling task_rt_tddft.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Making all in canorg make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Compiling canorg_check.F... Compiling canorg_init.F... Compiling canorg_clean.F... Compiling canorg_trans.F... canorg_trans.F:108:72: 108 | call canorg_trans_zfock_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:110:72: 110 | call canorg_trans_zdens_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:127:72: 127 | call canorg_trans_zfock_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:129:72: 129 | call canorg_trans_zdens_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Making all in propagators make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Compiling exp_diag.F... exp_diag.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling exp_pseries.F... exp_pseries.F:81:72: 81 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling prop_euler.F... Compiling prop_magnus_exp_bch.F... Compiling prop_magnus_exp_bch_scaled.F... Compiling prop_magnus_ord2_interpol.F... Compiling prop_magnus_ord2_step.F... Compiling prop_rk4.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Making all in closedshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Compiling zfock_cs_build.F... Compiling zfock_cs_core.F... Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... Compiling zfock_cs_coul_exchre.F... Compiling zfock_cs_coul.F... Compiling zfock_cs_dftxc.F... Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... Compiling rt_tddft_cs_init.F... Compiling rt_tddft_cs_confirm.F... Compiling rt_tddft_cs_checkpoint.F... Compiling rt_tddft_cs_restart.F... rt_tddft_cs_restart.F:54:67: 50 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 54 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_cs_restart.F:164:67: 161 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 164 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling rt_tddft_cs_prop.F... Compiling rt_tddft_cs_tdfock.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Making all in openshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' Compiling zfock_os_build.F... Compiling zfock_os_core.F... Compiling zfock_os_core_scalarzora.F... Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... Compiling zfock_os_exch.F... Compiling zfock_os_dftxc.F... Compiling rt_tddft_os_init.F... Compiling rt_tddft_os_confirm.F... Compiling rt_tddft_os_prop.F... Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... Compiling rt_tddft_os_print.F... Compiling rt_tddft_os_restart.F... rt_tddft_os_restart.F:56:67: 52 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 56 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_os_restart.F:191:67: 188 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 191 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a rt_tddft.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Making all in libxc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' egrep: warning: egrep is obsolescent; using grep -E Compiling nwchem_libxc_read.F... egrep: warning: egrep is obsolescent; using grep -E Compiling nwchem_libxc_util.F... nwchem_libxc_util.F:173:10: 149 | $ libxc_nfuncs)) | 2 ...... 173 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwchem_libxc_util.F:215:10: 191 | $ libxc_nfuncs)) | 2 ...... 215 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' egrep: warning: egrep is obsolescent; using grep -E Compiling nwchem_libxc_compute.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' Making all in x2c make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' Compiling calc_x2c_w_scalar.F... Compiling x2c_getw_scalar.F... Compiling x2c_getw_efg_scalar.F... Compiling x2c_getw_moment_scalar.F... Compiling calc_x2c_1e_scalar_ga.F... calc_x2c_1e_scalar_ga.F:688:13: 688 | info = ga_cholesky('L', g_m, -1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling calc_x2c_efg_scalar.F... calc_x2c_efg_scalar.F:480:23: 176 | call ga_zero(g_efgint) | 2 ...... 480 | call ga_zero(g_P) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:510:12: 392 | & g_temp,clo,chi) | 2 ...... 510 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:522:12: 392 | & g_temp,clo,chi) | 2 ...... 522 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:546:13: 391 | & g_efg, blo,bhi, | 2 ...... 546 | & g_P,blo,bhi, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:576:29: 221 | if (.not. ga_destroy(g_temp)) call errquit | 2 ...... 576 | if (.not. ga_destroy(g_P)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling calc_x2c_moment_scalar.F... Compiling calc_x2c_wefg_scalar.F... Compiling calc_x2c_wmoment_scalar.F... Compiling calc_x2c_hfc_scalar.F... calc_x2c_hfc_scalar.F:227:72: 227 | & pname//': g_u2c inconsistency', UNKNOWN_ERR) | 1 Warning: Missing actual argument for argument '_formal_13' at (1) Compiling write_x2c_pc_dip.F... Compiling read_x2c_pc_dip.F... Compiling x2c_scf.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_scf.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a nwdft.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Making libraries in rimp2 make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Compiling rimp2_v_e2.F... rimp2_v_e2.F:164:56: 161 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 164 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mk_1d_shdist.F... Compiling ga_by_shells.F... Compiling xf3ci_step12.F... Compiling xf3ci_step3.F... Compiling xform_3cints.F... Compiling occ_ranges.F... Compiling rimp2_xf.F... Compiling close_3ci.F... Compiling open_3ci.F... Compiling put_3cints.F... Compiling get_3cints.F... Compiling rimp2.F... rimp2.F:130:54: 126 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 130 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dgecop.F... Compiling lnblnk.f... Compiling max_v_diag.F... Compiling rimp2_parm.F... rimp2_parm.F:31:20: 23 | If ( .NOT. RTDB_Get( RTDB, 'mp2:aotol2e', MT_Dbl, 1, Thresh) ) | 2 ...... 31 | $ MT_Int, 1, MxTBatch) ) MxTBatch = -1 ! Determined by memory space | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rimp2_timers.F... Compiling pr_corr_map.F... Compiling prog_report.F... Compiling xf3ci_mem12.F... Compiling iamax.f... Compiling rimp2_e_mem.F... rimp2_e_mem.F:124:12: 59 | $ 'RIMP2_E_Mem: Unable to allocate minimal GA', 0, GA_ERR) | 2 ...... 124 | $ Mem_Avail, MA_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Compiling rimp2_denom.F... Compiling sum_pairs.F... Compiling xf3ci_s12a.F... Compiling xf3ci_s12b.F... Compiling eval_3ci.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Making libraries in stepper make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Compiling stpr_cheker.F... Compiling stpr_chkhess.F... Compiling stpr_clnstp.F... Compiling stpr_cneed.f... Compiling stpr_cross.f... Compiling stpr_driver.F... Compiling stpr_fndmde.F... Compiling stpr_formup.F... Compiling stpr_gmass.f... Compiling stpr_hesupd.F... Compiling stpr_hmass.f... Compiling stpr_inihes.F... Compiling stpr_face.F... stpr_face.F:13:61: 13 | if (.not.rtdb_get(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 1 ...... 484 | if (.not.rtdb_get(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). stpr_face.F:454:62: 437 | if (.not.rtdb_put(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 2 ...... 454 | if (.not.rtdb_put(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling stpr_locate.f... Compiling stpr_matout.f... Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... Compiling stpr_output.F... Compiling stpr_place.F... Compiling stpr_pmat.f... Compiling stpr_prntpd.f... Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... Compiling stpr_setmass.f... Compiling stpr_stepcor.F... Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... Compiling stpr_uprcase.f... Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... Compiling stpr_walk.F... stpr_walk.F:176:14: 95 | if (.not. rtdb_get(rtdb, 'task:energy', MT_DBL, 1, energy)) | 2 ...... 176 | $ okeepgeom)) okeepgeom = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling stpr_datestp.f... Compiling distang.F... Compiling stpr_gh_at.F... stpr_gh_at.F:244:72: 244 | & ('stpr_gen_hess_at: reference point energy+grad failed',7) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) stpr_gh_at.F:371:26: 86 | & numerical_single)) then | 2 ...... 371 | & rank_hess,dbl_mb(k_gradm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling stpr_gen_aux.F... Compiling stpr_filenames.F... Compiling stepper_inp.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Compiling stpr_partit.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Making libraries in driver make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Compiling opt_drv.F... opt_drv.F:3480:23: 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 3480 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:1968:23: 1968 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:2850:50: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 2850 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). opt_drv.F:3714:11: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 3714 | $ gx)) call errquit('driver: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) opt_drv.F:956:26: 956 | 20 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling oniom.F... oniom.F:186:11: 88 | $ usesymmol)) usesymmol=.false. | 2 ...... 186 | $ model_nat)) call errquit('oniom: model_nat?',0, RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). oniom.F:598:54: 120 | $ int_mb(k_actlist))) call errquit | 2 ...... 598 | if (.not. rtdb_put(rtdb,'oniom:energy',mt_dbl,1,energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling lbfgs.F... Compiling lbfgs-b.F... lbfgs-b.F:4127:50: 4125 | do 30 j = 2, n | 2 4126 | temp = -b(j-1) 4127 | call yaxpy(n-j+1,temp,t(j,j-1),1,b(j),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:17: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:24: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:31: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:42: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:31: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling lbfgs-b_driver.F... lbfgs-b_driver.F:126:58: 110 | if (.not. rtdb_get(irtdb,'onlystress',mt_log,1,onlystress)) | 2 ...... 126 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). lbfgs-b_driver.F:578:72: 578 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_12' at (1) Compiling lbfgs_driver.F... lbfgs_driver.F:86:57: 71 | if(.not.rtdb_get(irtdb,'lbfgs:maxiter',mt_int,1,maxiter)) | 2 ...... 86 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling lbfgs_utils.F... Compiling socket_driver.F... socket_driver.F:150:42: 121 | call util_talker_read(sock,msg,12) | 2 ...... 150 | call util_talker_read(sock,unita,n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). socket_driver.F:190:43: 143 | call util_talker_write(sock,statebuffer,12) | 2 ...... 190 | call util_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Compiling driver_input.F... driver_input.F:60:60: 39 | if (.not. rtdb_put(rtdb,'opt:driver',mt_log,1,.true.)) | 2 ...... 60 | if (.not. rtdb_put(rtdb,'driver:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Making libraries in optim make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' Making all in deloc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Compiling deloc_driver.F... deloc_driver.F:140:57: 105 | if(.not.rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 2 ...... 140 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling deloc.F... Compiling deloc_utils.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Making all in mepgs make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Compiling mepgs_drv.F... mepgs_drv.F:2728:11: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2728 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mepgs_drv.F:2334:50: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2334 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:3007:23: 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 3007 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1702:26: 1702 | 40 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:453:58: 453 | $ call errquit('mepgs_energy_step: coordinates?', string, | 1 ...... 1019 | & call errquit('hnd_opt: geom_create?', 911, GEOM_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). mepgs_drv.F:3287:58: 3219 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 3287 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Compiling mepgs_input.F... mepgs_input.F:57:58: 38 | if (.not. rtdb_put(rtdb,'mepgs:evib',mt_dbl,1,evib)) | 2 ...... 57 | if (.not. rtdb_put(rtdb,'mepgs:nircopt',mt_int,1,nircopt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Making all in tropt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Compiling tropt_drv.F... tropt_drv.F:2288:11: 1868 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 2 ...... 2288 | $ gx)) call errquit('tropt: could not get gradient',0,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tropt_drv.F:2812:23: 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 2812 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tropt_drv.F:1757:26: 1757 | call ga_brdcst(1001,tropt_converged,ma_sizeof(mt_log,1,mt_byte),0) | 1 ...... 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Compiling tropt_input.F... tropt_input.F:48:59: 21 | if (.not. rtdb_put(rtdb,'opt:tropt',mt_log,1,.true.)) | 2 ...... 48 | if (.not. rtdb_put(rtdb,'tropt:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a tropt_drv.o tropt_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Making all in neb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Compiling neb_input.F... neb_input.F:82:55: 57 | if (.not. rtdb_put(rtdb,'neb:algorithm',mt_int,1,nbeads)) | 2 ...... 82 | if (.not. rtdb_put(rtdb,'neb:stepsize',mt_dbl,1,timestep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling neb_drv.F... neb_drv.F:96:50: 81 | if (.not. rtdb_get(rtdb,'neb:gmax',mt_dbl,1,nebgmax)) | 2 ...... 96 | if (.not.rtdb_get(rtdb,'neb:steps',mt_int,1,nebsteps)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). neb_drv.F:986:54: 781 | if (.not.rtdb_put(rtdb,'neb:print_count',mt_int,1,print_count)) | 2 ...... 986 | if (.not.rtdb_put(rtdb,'bead_list:new',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling neb_utils.F... neb_utils.F:863:54: 809 | if (.not. rtdb_get(rtdb,'neb:pathguess',mt_int,1,pathguess)) | 2 ...... 863 | if (.not.rtdb_get(rtdb,'neb:hasmiddle',mt_log,1,hasmiddle)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling bead_list.F... bead_list.F:1449:59: 301 | value = rtdb_get(bead_rtdb,rtdb_name,mt_int,1,size) | 2 ...... 1449 | if (.not.rtdb_get(bead_rtdb,'includestress',mt_log,1,ostress)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). bead_list.F:472:54: 467 | if(.not.rtdb_put(bead_rtdb,"scf:converged",mt_log,1,.false.)) | 2 ...... 472 | if(.not.rtdb_put(bead_rtdb,"neb:ibead",mt_int,1,i)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Making all in string make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' Compiling string.F... string.F:479:58: 475 | if (.not. rtdb_get(rtdb, 'string:linopt', mt_log,1,linopt)) | 2 ...... 479 | if (.not. rtdb_get(rtdb,'string:pathguess',mt_int,1,pathguess)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). string.F:1788:33: 598 | call ycopy(ng,coords,1,coords_old,1) | 2 ...... 1788 | call ycopy(3*natoms*nbeads,0.0d0,0,dVdx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) string.F:1821:59: 845 | > mt_int,1,print_count)) | 2 ...... 1821 | if(.not.rtdb_put(rtdb,"scf:converged",mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling string_input.F... string_input.F:70:14: 46 | if (.not. rtdb_put(rtdb,'string:tol',mt_dbl,1,tol)) | 2 ...... 70 | $ nbeads)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a string.o string_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' Making libraries in cphf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' Compiling cphf.F... Compiling cphf_poliz.F... cphf_poliz.F:133:52: 119 | if(.not.rtdb_get(rtdb,'scf:nalpha',mt_int,1,noa)) | 2 ...... 133 | if (.not. rtdb_get(rtdb,'dft:noc',mt_int,2,noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cphf_solve.F... cphf_solve.F:156:11: 152 | $ lshift)) lshift=0.0d0 | 2 ...... 156 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve.F:198:61: 195 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 198 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve2.F... cphf_solve2.F:165:11: 158 | $ lshift)) lshift=0.0 | 2 ...... 165 | $ maxiter)) maxiter = 50 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve2.F:237:61: 234 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 237 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve3.F... cphf_solve3.F:227:11: 129 | if (.not. rtdb_get(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 2 ...... 227 | $ precond_tol)) precond_tol=1d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cphf_solve3.F:342:61: 339 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 342 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve4.F... cphf_solve4.F:153:11: 151 | $ precond_tol)) precond_tol=1d-4 | 2 152 | if (.not. rtdb_get(rtdb, 'cphf:maxiter', mt_int, 1, 153 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve4.F:206:61: 203 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 206 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' Making libraries in ccsd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' Compiling ccden_driver.F... Compiling ccden_interm2.F... Compiling ccden_1pdm.F... Compiling ccsd_driver.F... ccsd_driver.F:357:57: 88 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nocc)) | 2 ...... 357 | If ( .NOT. RTDB_Get(RTDB, 'scf:energy', MT_Dbl, 1, RefEner) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_driver.F:384:20: 132 | $ occ_frozen)) | 2 ...... 384 | $ MT_Dbl, 1, EMP2) ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_sortmo.F... Compiling geaxpy.F... Compiling ccden_2pdma.F... Compiling ccden_2pdmb.F... Compiling ccsd_mktau_ga.F... Compiling ccden_interm4.F... Compiling aoccsd2.F... aoccsd2.F:319:11: 316 | if (.not.rtdb_get(rtdb,'ccsd:use_ccsd_omp',mt_log,1,use_ccsd_omp)) | 2 ...... 319 | A ccsd_omp_threads)) ccsd_omp_threads=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_itm.F... Compiling ccsd_itm_omp.F... Compiling ccsd_t2pm.F... ccsd_t2pm.F:436:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 436 | if (eaf_read(sxy_hl,faddr,ival,intsize).ne.0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ccsd_t2pm.F:448:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 448 | if (eaf_read(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t2pm.F:596:48: 504 | if (eaf_write(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 596 | if (eaf_write(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_pampt2.F... Compiling ccsd_pampt3.F... Compiling ccsd_idx1.F... Compiling ccsd_idx2.F... Compiling ccsd_idx34.F... Compiling ccsd_tengy.F... Compiling ccsd_trpdrv.F... Compiling ccsd_trpdrv_nb.F... Compiling ccsd_trpdrv_omp.F... Compiling ccsd_trpdrv_omp_mixprec.F... Compiling moints_trp.F... moints_trp.F:136:72: 136 | $ ('moints: cannot get geometry', 0, GEOM_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:141:72: 141 | $ call errquit('moints_trp: cannot get basis info',0,BASIS_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:159:72: 159 | $ call errquit('moints_trp: no memory for syms?',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:162:72: 162 | $ call errquit('moints_trp: cannot ga_create tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:169:72: 169 | $ call errquit('cannot destroy tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:172:72: 172 | & UNKNOWN_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:206:72: 206 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:232:72: 232 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:272:72: 272 | $ call errquit('moints_trp: push ssbb',n_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:293:72: 293 | $ call errquit('moints_trp: push buf',max2e,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:296:72: 296 | $ call errquit('moints_trp: push scr',mem2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:309:72: 309 | $ call errquit('moints_trp: pop iscr',l_iscr,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:311:72: 311 | $ call errquit('moints_trp: pop eri',l_eri,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:315:72: 315 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:322:72: 322 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:337:72: 337 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:349:72: 349 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:355:72: 355 | $ call errquit('moints_trp: pop ssbb',l_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:359:72: 359 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:365:72: 365 | $ call errquit('moints_trp: push hlp2',n_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:377:72: 377 | $ call errquit('moints_trp: pop hlp2',l_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:384:72: 384 | $ call errquit('moints_trp: push hlp3',n_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:393:72: 393 | $ call errquit('moints_trp: pop hlp3',l_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:410:72: 410 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:422:72: 422 | $ call errquit('moints_trp: failed to pop', l_shmap, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:450:72: 450 | $ call errquit('moints_trp: pop hlp', l_hlp, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:453:72: 453 | $ call errquit('moints_trp: pop sym',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ccsd.F... Compiling ccsd_aux.F... Compiling ccsd_get_param.F... ccsd_get_param.F:21:22: 19 | if (.not. rtdb_get(Rtdb, 'ccsd:ccd', mt_log, 1, occd))occd=.false. | 2 20 | if (.not. rtdb_get(rtdb, 'ccsd:maxiter', 21 | $ MT_INT, 1, maxit)) maxit = 20 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_iterdrv2.F... ccsd_iterdrv2.F:173:60: 111 | if (.not. rtdb_get(rtdb, 'ccsd:usedisk', mt_log, 1, use_disk)) | 2 ...... 173 | if(.not.rtdb_get(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ccsd_iterdrv2.F:243:60: 239 | if(.not.rtdb_put(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 2 ...... 243 | if(.not.rtdb_put(rtdb, 'ccsd:converged',MT_LOG, 1, oconverged)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling ccsd_mktask.F... Compiling ccsd_mkt2.F... Compiling ccsd_pdiis.F... Compiling ccsd_trpmo.F... Compiling ccsd_rdtrpo.F... Compiling qstat.F... qstat.F:182:34: 179 | call ga_dgop(msg_qstat_3,nrout,1,'min') | 2 ...... 182 | call ga_dgop(msg_qstat_1,tcp_min,1,'min') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cputime.F... Compiling rddcom.F... Compiling ccsd_input.F... ccsd_input.F:71:57: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 71 | if (.not. rtdb_put(rtdb, 'ccsd:thresh', mt_dbl, 1, convi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_input.F:106:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 106 | $ IList)) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:114:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 114 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:122:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 122 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:130:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 130 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:138:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 138 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:146:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 146 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:154:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 154 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ccsd_graddrv.F... Compiling ccsd_zvecs.F... Compiling ccsd_pzamp.F... Compiling ccsd_zsig1.F... Compiling ccsd_zsig2.F... Compiling ccsd_z2pm.F... Compiling ccsd_tzinta.F... Compiling ccsd_tzintb.F... Compiling ccsd_mem.F... Compiling ccsd_pstat.F... Compiling convert_single_double.F... Compiling ccsd_aosig.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' Making libraries in vib make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Compiling vib_bcalc.F... Compiling vib_bend.F... Compiling vib_bstr.F... Compiling vib_cebdab.F... Compiling vib_chkhess.F... Compiling vib_clean.F... Compiling vib_cross.F... Compiling vib_dsquar.F... Compiling vib_dtrngl.F... Compiling vib_eckart.F... Compiling vib_gtors.F... Compiling vib_hmass.F... Compiling vib_libe.F... Compiling vib_nmass.F... Compiling vib_prdata.F... Compiling vib_prntpd.F... Compiling vib_rdinp.F... vib_rdinp.F:95:44: 61 | if (rtdb_get(rtdb,'vib:project',MT_LOG,1,dum_log)) then | 2 ...... 95 | & (rtdb,'vib:remass:count',mt_int,1,num_new_masses)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling vib_setup.F... Compiling vib_tors.F... Compiling vib_transp.F... Compiling vib_vib.F... Compiling vib_wmatrix.F... Compiling vib_wrtfreq.F... vib_wrtfreq.F:199:50: 194 | if (.not.rtdb_put(rtdb,'vib:linear',mt_log,1,.true.)) | 2 ...... 199 | if(.not. rtdb_put(rtdb,'vib:zpe',MT_DBL,1,ezero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling vib_zmatin.F... Compiling vib_intense.F... Compiling vib_istep.F... vib_istep.F:252:33: 248 | & mt_dbl,1,step_size)) then | 2 ...... 252 | & mt_log,1,overwrite_files)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling vib_thermo.F... vib_thermo.F:105:72: 105 | S_elec = R_gas*log(dble(multiplicity)) | ^ Warning: 'r_gas' may be used uninitialized [-Wmaybe-uninitialized] vib_thermo.F:47:28: 47 | double precision R_gas | ^ note: 'r_gas' was declared here vib_thermo.F:109:72: 109 | G_elec = H_elec - Temp * S_elec | ^ Warning: 'temp' may be used uninitialized [-Wmaybe-uninitialized] vib_thermo.F:46:27: 46 | double precision Temp | ^ note: 'temp' was declared here Compiling vib_phonon.F... vib_phonon.F:1127:30: 1125 | call yscal(2*nion3*nion3,1.0d6,dmat,1) | 2 1126 | call jheev('N','U',nion3,dmat,nion3,wp,work,lwork,rwork,ierr) 1127 | call yscal(nion3,1.0d-6,wp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). vib_phonon.F:53:52: 53 | if (.not.rtdb_get(rtdb,'vib:animate',mt_log,1,animate)) | 1 ...... 584 | if(.not. rtdb_get(rtdb,'vib:scalefreq',MT_DBL,1,scalefreq)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vib_phonon.F:156:72: 156 | > hess,dbl_mb(hessadjust(1))) | 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) Compiling vib_zone_input.F... vib_zone_input.F:138:26: 130 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 138 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling vib_input.F... vib_input.F:70:51: 61 | if (.not.rtdb_put(rtdb,'vib:animate',mt_log,1,.true.)) | 2 ...... 70 | & 'vib:animate:step_size',mt_dbl,1,animate_step)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Compiling vib_callg.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Making libraries in mcscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Compiling mcscf.F... mcscf.F:843:52: 843 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 1 ...... 891 | if (.not.rtdb_get(rtdb,'mcscf:prof',MT_LOG,1,omcscfprof)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mcscf.F:863:60: 863 | if (.not. rtdb_put(rtdb, 'mcscf:nclosed', mt_int, 1, nclosed)) | 1 ...... 902 | if (.not.rtdb_put(rtdb,'scf:pstat',MT_LOG,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling mcscf_b.F... mcscf_b.F:222:52: 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 ...... 222 | $ call ga_put(g_dens, aoff, aend, aoff, aend, dm1, nact ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mcscf_b.F:97:51: 97 | $ call ga_put(g_tmp, aoff, aend, aoff, aend, dm1, nact ) | 1 ...... 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mcscf_aux.F... mcscf_aux.F:337:58: 335 | if (.not. rtdb_get(rtdb, 'mcscf:tol2e', MT_DBL, 1, tol2e)) | 2 336 | $ tol2e = 1d-9 337 | if (.not.rtdb_get(rtdb, 'mcscf:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mcscf_aux.F:985:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 985 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:998:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 998 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1010:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1010 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1468:32: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1468 | call ga_put(g_u,i,i,i,i,1.d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1473:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1473 | call ga_put(g_u,ii,ii,ii,ii,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1474:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1474 | call ga_put(g_u,jj,jj,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1476:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1476 | call ga_put(g_u,ii,ii,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1477:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1477 | call ga_put(g_u,jj,jj,ii,ii,-xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_ci.F... mcscf_ci.F:158:59: 81 | if (.not.rtdb_get(rtdb,'mcscf:cimaxiter',MT_INT,1,maxiter)) | 2 ...... 158 | if (rtdb_get(rtdb,'mcscf:guess',MT_INT,(nela+nelb),itmp)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mcscf_etr.F... Compiling mcscf_fcore.F... Compiling mcscf_fock.F... mcscf_fock.F:576:40: 574 | $ nclosed+1,nclosed+nact,nclosed+1,nclosed+nact, dm1, nact) | 2 575 | do p = 1, nclosed 576 | call ga_put(g_gfock,p,p,p,p,2.0d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_hdiag.F... Compiling mcscf_ohv.F... Compiling mcscf_ohv1e.F... Compiling mcscf_ohv2e.F... Compiling mcscf_ohvao.F... Compiling mcscf_ohvmo.F... Compiling mcscf_orb.F... mcscf_orb.F:112:60: 104 | if (.not. rtdb_get(rtdb,'mcscf:tol2e',MT_DBL,1,tol2e)) then | 2 ...... 112 | if (.not. rtdb_get(rtdb,'mcscf:hessiantype',MT_INT,1,pflg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mcscf_prcnd.F... Compiling mcscf_debug.F... Compiling mcscf_input.F... mcscf_input.F:75:59: 67 | if (.not. rtdb_put(rtdb, 'mcscf:thresh', mt_dbl, 1, conv)) | 2 ...... 75 | if (.not. rtdb_put(rtdb, 'mcscf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Making all in detci make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' Compiling detci_aux.F... Compiling detci_intf.F... detci_intf.F:919:22: 373 | call ga_dgop(msg_detci_maxsync, detci_absync_etime, | 2 ...... 919 | call ga_dgop(1, twopdm, nn*nn, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' Compiling detci_dens.F... Compiling detci_diag.F... Compiling detci_sigma.F... Compiling detci_spin.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Making libraries in prepar make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' Compiling prepar.F... Compiling pre_admin.F... pre_admin.F:178:72: 178 | return | ^ Warning: '__result_pre_admin' may be used uninitialized [-Wmaybe-uninitialized] pre_admin.F:1:32: 1 | logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) | ^ note: '__result_pre_admin' was declared here Compiling pre_align.F... Compiling pre_ang.F... Compiling pre_atmscn.F... Compiling pre_atnam.F... Compiling pre_atnum.F... Compiling pre_atom_index.F... Compiling pre_atrad.F... Compiling pre_atype.F... Compiling pre_base.F... Compiling pre_bnd.F... Compiling pre_bonds.F... Compiling pre_boxsiz.F... Compiling pre_center.F... Compiling pre_charge.F... pre_charge.F:190:51: 131 | if(.not.rtdb_put(irtdb,'charge',mt_dbl,1,charge)) | 2 ...... 190 | if(.not.rtdb_put(irtdb,'esp:newgrd',mt_int,1,newgrd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling pre_check.F... Compiling pre_collaps.F... Compiling pre_crop.F... Compiling pre_dih.F... Compiling pre_dihimp.F... Compiling pre_dihsel.F... Compiling pre_dimens.F... Compiling pre_disres.F... Compiling pre_dummy.F... Compiling pre_equiv.F... Compiling pre_excl.F... Compiling pre_ffield.F... pre_ffield.F:299:13: 299 | elseif(jcomb.eq.2) then | ^ Warning: 'jcomb' may be used uninitialized [-Wmaybe-uninitialized] pre_ffield.F:39:56: 39 | integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb | ^ note: 'jcomb' was declared here Compiling pre_fix.F... Compiling pre_frgsiz.F... Compiling pre_frgrd.F... Compiling pre_gensgm.F... Compiling pre_his.F... Compiling pre_hnames.F... Compiling pre_hybrid.F... Compiling pre_imp.F... Compiling pre_input.F... pre_input.F:1239:72: 1239 | if(.not.inp_i(icolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1240:72: 1240 | if(.not.inp_i(jcolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1874:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1874 | if(.not.rtdb_put(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1885:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1885 | if(.not.rtdb_put(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1890:52: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1890 | if(.not.rtdb_put(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_input.F:1900:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1900 | if(.not.rtdb_put(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1902:59: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1902 | if(.not.rtdb_put(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_links.F... pre_links.F:251:9: 251 | if(pre_protein(cseq(1,i))) goto 14 | 1 Warning: Missing actual argument for argument '_formal_15' at (1) Compiling pre_master.F... Compiling pre_merge.F... pre_merge.F:88:37: 88 | + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 | ^ Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:24: 14 | character*1 altloc,chain | ^ note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:36: 95 | + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 | ^ Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:30: 14 | character*1 altloc,chain | ^ note: 'chain[1]{lb: 1 sz: 1}' was declared here Compiling pre_misfit.F... Compiling pre_mkfrg.F... Compiling pre_mklist.F... Compiling pre_mknoe.F... Compiling pre_mkrst.F... Compiling pre_mkseq.F... Compiling pre_mksgm.F... Compiling pre_mktop.F... Compiling pre_modify.F... Compiling pre_multip.F... Compiling pre_namiup.F... Compiling pre_natyps.F... Compiling pre_nonbon.F... Compiling pre_nucleic.F... Compiling pre_orient.F... Compiling pre_params.F... Compiling pre_parcnv.F... Compiling pre_paths.F... Compiling pre_paths2.F... Compiling pre_pdbseq.F... Compiling pre_pdbsiz.F... Compiling pre_protein.F... Compiling pre_rdgeom.F... Compiling pre_rdpdb.F... Compiling pre_rstmod.F... Compiling pre_rdrst.F... Compiling pre_rdseq.F... Compiling pre_rdsgm.F... Compiling pre_removw.F... Compiling pre_rename.F... Compiling pre_repeat.F... Compiling pre_rot.F... Compiling pre_rotate.F... Compiling pre_rstsiz.F... Compiling pre_rtdbin.F... pre_rtdbin.F:90:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 90 | if(.not.rtdb_get(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:96:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 96 | if(.not.rtdb_get(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:101:52: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 101 | if(.not.rtdb_get(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_rtdbin.F:106:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 106 | if(.not.rtdb_get(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:108:59: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 108 | if(.not.rtdb_get(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_rtdbsq.F... Compiling pre_select.F... pre_select.F:45:40: 45 | call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) | 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) Compiling pre_seqsiz.F... Compiling pre_sgmfil.F... Compiling pre_sgmndx.F... Compiling pre_sgmnum.F... Compiling pre_sgmsiz.F... Compiling pre_short.F... Compiling pre_slvnum.F... Compiling pre_slvrd.F... Compiling pre_slvsiz.F... Compiling pre_solvat.F... Compiling pre_task.F... Compiling pre_term.F... Compiling pre_third.F... Compiling pre_toprd.F... Compiling pre_topsiz.F... Compiling pre_torang.F... Compiling pre_transl.F... Compiling pre_wrtnam.F... Compiling pre_wrtnoe.F... Compiling pre_wrtpdb.F... Compiling pre_wrtpmf.F... Compiling pre_wrtpov.F... Compiling pre_wrtrst.F... Compiling pre_wrtseq.F... Compiling pre_wrtsgm.F... Compiling pre_wrttop.F... Compiling pre_wrtxyz.F... Compiling pre_impctr.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' Making libraries in esp make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' Compiling esp.F... Compiling esp_dalloc.F... Compiling esp_denmat.F... Compiling esp_elemom.F... Compiling esp_esp.F... Compiling esp_fastesp.F... Compiling esp_getden.F... Compiling esp_fit.F... Compiling esp_getg.F... Compiling esp_getx.F... Compiling esp_grdcnt.F... Compiling esp_grid.F... esp_grid.F:70:31: 29 | call ga_brdcst(mre_013,v,ngrid*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 ...... 70 | call ga_brdcst(mre_001,ngrid,ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling esp_input.F... esp_input.F:441:53: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 441 | if(.not.rtdb_put(irtdb,'esp:radius',mt_dbl,107,radius)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_input.F:444:51: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 444 | if(.not.rtdb_put(irtdb,'esp:nconst',mt_int,1,nconst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_input.F:451:54: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 451 | if(.not.rtdb_put(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_malloc.F... Compiling esp_matinv.F... Compiling esp_out.F... Compiling esp_plt.F... Compiling esp_rms.F... Compiling esp_rtdbin.F... esp_rtdbin.F:67:53: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 67 | if(.not.rtdb_get(irtdb,'esp:radius',mt_dbl,107,radius)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_rtdbin.F:176:51: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 176 | if(.not.rtdb_get(irtdb,'esp:nconst',mt_int,1,nconst)) nconst=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_rtdbin.F:182:54: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 182 | if(.not.rtdb_get(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_wrtinp.F... Compiling esp_jacobi.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' Making libraries in hessian make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Compiling hess_blas.F... hess_blas.F:161:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 161 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hess_blas.F:183:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 183 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_input.F... hess_input.F:40:63: 32 | if (.not. rtdb_put(rtdb,'hess:pstat', MT_LOG, 1, .true.)) | 2 ...... 40 | if (.not. rtdb_put(rtdb, 'hessian:thresh', mt_dbl, 1, conv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Making all in analytic make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' Compiling hess_anal.F... Compiling hess_init.F... hess_init.F:203:57: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 203 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hess_init.F:244:55: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 244 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, dftnoc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_energyinit.F... hess_energyinit.F:63:60: 32 | $ call errquit('hess_energyinit: theory not specified',555, | 2 ...... 63 | $ call errquit('hess_energyinit: rtdb_put failed',ithresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hess_energyinit.F:112:9: 59 | if (rtdb_get(rtdb, 'hessian:thresh', MT_DBL,1, ithresh)) then | 2 ...... 112 | & itol2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hess_energyinit.F:118:9: 62 | if (.not. rtdb_put(rtdb, 'scf:thresh', MT_DBL, 1, ithresh)) | 2 ...... 118 | & itol2e))call errquit('hessint:rtdbput failed',1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling hess_check.F... hess_check.F:53:57: 37 | if (.not. rtdb_get(rtdb, 'dyall_mod_dir', MT_LOG, 1, dmd_rel)) | 2 ...... 53 | if (.not. rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nucdd_cont.F... Compiling nucdd_calc.F... Compiling oned_calc.F... Compiling onedd_cont.F... Compiling get_wdens.F... Compiling onedd_calc.F... Compiling hess_dipder.F... Compiling twodd_cont.F... Compiling twodd_coul_ex.F... Compiling shell_fock_build.F... shell_fock_build.F:851:26: 418 | call ga_igop(375,dorep_glob,1, '+') | 2 ...... 851 | call ga_igop(65331, cache_hitmiss, 12, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) shell_fock_build.F:1329:32: 626 | D d_ij,1,d_kl,1) | 2 ...... 1329 | call ycopy(nfock*idim, 0d0, 0,f_ij(1,1,j), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling shell_fock_build_cam.F... Compiling hess_cphf.F... hess_cphf.F:1212:61: 1209 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 1212 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling hess_pxfy.F... Compiling hess_sxsy.F... Compiling sx_dra.F... sx_dra.F:105:51: 41 | call nga_copy_patch('N', g_sx, loa, hia, g_temp, lob, hib) | 2 ...... 105 | call nga_copy_patch('N', g_temp, lob, hib, g_sx, loa, hia) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_wrt.F... Compiling hess_restart.F... Compiling hess_hssout.F... Compiling hess_print.F... Compiling hess_tidy.F... hess_tidy.F:77:59: 23 | * call errquit('hess_tidy: geom_destroy problem', 555, GEOM_ERR) | 2 ...... 77 | $ call errquit('hess_energytidy: rtdb_put failed',tthresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling uhf_fock_setup.F... Compiling uhf_fock_finish.F... Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... Compiling hess_utils.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' Making all in dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' Compiling xc_d2expl.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' Compiling xc_cpks_coeff.F... Compiling xc_exit_index.F... Compiling xc_init_index.F... Compiling xc_nucder_gen.F... xc_nucder_gen.F:26:43: 26 | , g_dens, nactive, oactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) xc_nucder_gen.F:53:38: 53 | , g_dens, nactive, oactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dft_3dacc.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a hess_blas.o hess_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Making libraries in selci make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' Compiling iprtri.F... Compiling prtri.F... Compiling selci_icopy.f... Compiling selci_yacobi.f... Compiling tred1.f... Compiling tqlrat.f... tqlrat.f:152:13: 152 | if (dabs(e2(l)) .le. dabs(c/h)) go to 210 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:26: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'c' was declared here tqlrat.f:145:72: 145 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:24: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'b' was declared here Compiling loadw.F... Compiling rdhint.F... Compiling rdhcon.f... Compiling rdhwmt.f... Compiling rdconf.f... Compiling upkcon.F... Compiling prtcon.f... Compiling wrtcon.f... Compiling iodiff.F... Compiling bserch.F... Compiling readh.F... Compiling selci_renorm.f... Compiling selci_sread.f... Compiling selci_swrite.f... Compiling pkcon.F... Compiling wthcon.f... Compiling wtconf.f... Compiling vadd.f... Compiling idmin.f... Compiling isum.f... Compiling rd1.F... rd1.F:272:23: 189 | call ifill(nuw,0,u,1) | 2 ...... 272 | call ifill(nuw,0,u,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/LOGICAL(1)). rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) Compiling fcidim.F... Compiling axb.f... Compiling axbt.f... Compiling gettim.f... Compiling cputm.c... Compiling minit.F... Compiling mxmb.f... Compiling selci_check.f... Compiling davids.F... davids.F:185:26: 167 | call ga_brdcst(101, ci(1,1,nvec), mdtob(nroot*nci), 0) | 2 ...... 185 | call ga_brdcst(102, ndone, mitob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'ioconf' at (1); passed REAL(8) to INTEGER(8) Compiling sigma.F... Compiling conf.F... conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(8) conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ixstak' at (1); passed REAL(8) to INTEGER(8) conf.F:171:54: 115 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 171 | if (.not. rtdb_get(rtdb,'scf:nopen', mt_int, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). conf.F:56:72: 56 | call selci_start(rtdb, title, q(irefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'jrefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) Compiling ci.F... Compiling initci.F... Compiling rdhead.F... Compiling load.F... Compiling loada.F... Compiling mkinta.F... Compiling pconls.F... Compiling makeh.F... Compiling mkindb.f... Compiling eij.F... Compiling eijeji.F... Compiling makehd.F... Compiling makef.F... Compiling loadg.F... Compiling getij.F... Compiling makehs.F... Compiling eirerj.F... Compiling loadab.F... Compiling couple.c... Compiling gtijkl.F... Compiling eijkj.F... Compiling makhdb.F... Compiling eijil.F... Compiling mknsneed.F... Compiling eijkl.F... Compiling putinb.F... Compiling inicij.F... Compiling ointer.F... Compiling oeq.f... Compiling selci_select.F... selci_select.F:45:24: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 44 | call ga_brdcst(9,iwpt,mitob(1),0) 45 | call ga_brdcst(10,repnuc,lencib,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). selci_select.F:122:25: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 ...... 122 | call ga_brdcst(191,map,mitob(norbs),0) ! sorted orbitals by occ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling selci.F... selci.F:110:59: 76 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 110 | if (.not. rtdb_get(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). selci.F:186:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 186 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:224:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 224 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:228:29: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 228 | $ mt_dbl, nroot, rootspt)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ptidy.F... ptidy.F:46:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 46 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:49:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 49 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ptidy.F:74:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 74 | call rcv(23, eptn, mdtob(nroot), len, islave, node, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:78:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 78 | call rcv(26, irangen, mitob(21), len, islave, node, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling anal.F... Compiling mkindx.F... Compiling slect.F... Compiling tester.F... Compiling mkdele.F... Compiling mkvc.F... Compiling e0mp2.F... Compiling mpdele.F... Compiling stool.F... stool.F:74:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 74 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:77:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 77 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stool.F:100:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 100 | call rcv(23, eptn, mdtob(nroot), len, islave, node, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:106:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 106 | call rcv(26, irangen, mitob(nrange), len, islave, node, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling restk.F... Compiling restin.F... Compiling orbanal.F... Compiling selci_hpp.F... Compiling mxma.f... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a iprtri.o prtri.o selci_icopy.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' Making libraries in dplot make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' Compiling dplot.F... dplot.F:107:52: 87 | & lgaussian)) then | 2 ...... 107 | If (.not.rtdb_get(rtdb,'dplot:iroot',mt_int,1,iroot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dplot.F:44:61: 44 | Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off | ^ Warning: 'atom_off' may be used uninitialized [-Wmaybe-uninitialized] Compiling get_grid.F... Compiling create_contour.F... Compiling dmat.F... Compiling errmem.F... Compiling get_dens.F... Compiling dplot_input.F... dplot_input.F:299:58: 295 | & lgaussian)) call errquit('dpinput:rtdbwr failed',11,0) | 2 ...... 299 | If (.not.rtdb_put(rtdb,'dplot:Ext_From_To',mt_dbl,6,Ext_From_To)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling get_charges.F... Compiling dplot_defgrid.F... Compiling dplot_dump.F... Compiling dplot_dos.F... dplot_dos.F:86:11: 84 | & 1,nstep)) nstep=1000 | 2 85 | if (.not.rtdb_get(rtdb,'dplot:dos_sigma',mt_dbl, 86 | & 1,sigma)) sigma=0.025d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ao_rdm_read.F... ao_rdm_read.F:123:72: 123 | return | ^ Warning: '__result_ao_rdm_read' may be used uninitialized [-Wmaybe-uninitialized] ao_rdm_read.F:1:34: 1 | logical function ao_rdm_read(filename,basis, g_dens) | ^ note: '__result_ao_rdm_read' was declared here Compiling get_transden.F... get_transden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_transden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_diffden.F... get_diffden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_diffden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' Making libraries in mp2_grad make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Compiling mp2_grad.F... mp2_grad.F:44:54: 37 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 44 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_energy.F... mp2_energy.F:153:11: 96 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 153 | $ nva_frozen)) nva_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mp2_energy.F:645:47: 372 | $ noa_frozen,1) | 2 ...... 645 | call ecce_print1('total energy', mt_dbl, e_total, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mp2_energy.F:647:63: 148 | $ noa_frozen)) | 2 ...... 647 | if(.not. rtdb_put(rtdb,'mp2:correlation energy',mt_dbl,1,e2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_grad_doit.F... mp2_grad_doit.F:143:50: 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then | 1 ...... 560 | $ MT_INT, 1, mp2_eaftype)) mp2_eaftype= | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_make_cphf_rhs.F... Compiling mp2_make_tot_dens.F... Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... Compiling mp2_pstat.F... Compiling mp2_input.F... mp2_input.F:126:56: 48 | if (.not. rtdb_put(rtdb, 'mp2:aotol2e', mt_dbl, 1, aotol2e)) | 2 ...... 126 | if (.not. rtdb_put(rtdb, 'mp2:scs', mt_log, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling mp2_make_piy.F... Compiling mp2_make_nos.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Compiling mp2_back_transform.F... mp2_back_transform.F:377:55: 374 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 377 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_read_tiajb.F... Compiling mp2_pijab_uhf.F... mp2_pijab_uhf.F:109:55: 106 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 109 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_wijab_uhf.F... mp2_wijab_uhf.F:102:55: 99 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 102 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_lai_uhf.F... mp2_lai_uhf.F:84:55: 81 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 84 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_lai_fock_uhf.F... Compiling mp2_memory.F... mp2_memory.F:242:24: 79 | call ga_igop(543, nnbf_sparse, 1, '+') | 2 ...... 242 | call ga_igop(542, max_file, 1, 'max') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_make_tuhf.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Making libraries in qhop make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' Compiling qhop_setup.F... qhop_setup.F:357:39-48: 357 | read(lfnhdb,1005) (zpef(numpar+1,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:434:32-41: 434 | write(lfntop,1005)(zpef(i,m),m=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) Compiling qhop_asite.F... Compiling qhop_dsite.F... Compiling qhop_prob.F... Compiling qhop_init.F... qhop_init.F:185:35-44: 185 | read(lfntop,1005) (zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:197:35-44: 197 | write(lfnout,1005)(zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:88:28: 45 | call ga_brdcst(hop_01,idata,9*numbi,0) | 2 ...... 88 | call ga_brdcst(hop_06,dbl_mb(i_racs),2*mxar*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qhop_pindex.F... Compiling qhop_final.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' Making libraries in property make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' Compiling hnd_efgmap.F... hnd_efgmap.F:115:15: 99 | if (rtdb_get(rtdb,'cosmo:nefc',mt_int,1,ncosbq).and.(ncosbq.gt.0)) | 2 ...... 115 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap.F:250:49: 248 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 249 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 250 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_efgmap_z4.F... hnd_efgmap_z4.F:941:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 941 | call ga_get(g_a,i,i,i,i,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:947:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 947 | call ga_get(g_a,i,i,j,j,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:1067:44: 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 ...... 1067 | & mt_int,nat_slc,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_efgmap_z4.F:316:15: 316 | & dbl_mb(k_efcc))) call | 1 ...... 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap_z4.F:478:49: 476 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 477 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 478 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_elfmap.F... hnd_elfmap.F:140:35: 57 | if(.not.rtdb_get(rtdb,'bqforceprint',mt_log,1,bqprint)) | 2 ...... 140 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). hnd_elfmap.F:275:44: 274 | call ecce_print1('EField components',MT_DBL,elf,3) | 2 275 | call ecce_print1('EField',MT_DBL,elfld,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_elpmap.F... hnd_elpmap.F:147:35: 125 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 147 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling hnd_eldmap.F... Compiling hnd_elpiso.F... Compiling hnd_spind.F... hnd_spind.F:214:59: 136 | call ecce_print1('fermi contact',MT_DBL,aiso,1) | 2 ...... 214 | call ecce_print1('spin-dipole eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_elfcon.F... Compiling hnd_elfcon_symm.F... Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... hnd_mtpole.F:485:60: 481 | if (.not. rtdb_get(rtdb, 'prop:center', mt_int, 1, i_expan)) | 2 ...... 485 | if (.not. rtdb_get(rtdb, 'prop:center_val',mt_dbl,3,cm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_mtpole.F:938:72: 938 | do i = 1, ndens | ^ Warning: 'ndens' is used uninitialized [-Wuninitialized] hnd_mtpole.F:783:29: 783 | integer g_dens(3),ndens,nclosed(2),nopen(2),nvirt(2) | ^ note: 'ndens' was declared here Compiling prop_input.F... prop_input.F:886:43: 868 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 886 | if(.not.rtdb_put(rtdb,tag,mt_dbl,1,f3)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). prop_input.F:419:26: 419 | if (inp_f(iso)) then | 1 ...... 876 | if(.not.inp_f(f3(i))) exit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling prop.F... prop.F:59:48: 48 | if (.not.rtdb_get(rtdb,'prop:do_fockbuild',MT_LOG,1,do_fockbuild)) | 2 ...... 59 | if (rtdb_get(rtdb,'prop:nbofile',MT_INT,1,nbofile)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling prp.F... Compiling hnd_mulken.F... Compiling wnbofile.F... Compiling wefgfile.F... Compiling whypfile.F... whypfile.F:302:72: 302 | open (lfn, file=fname_hyp, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] whypfile.F:82:17: 82 | integer lfn | ^ note: 'lfn' was declared here Compiling wgshiftfile.F... wgshiftfile.F:316:72: 316 | open (lfn, file=fname_gshift, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wgshiftfile.F:85:17: 85 | integer lfn | ^ note: 'lfn' was declared here Compiling wshldfile.F... wshldfile.F:296:72: 296 | open (lfn, file=fname_shield, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wshldfile.F:73:17: 73 | integer lfn | ^ note: 'lfn' was declared here Compiling hnd_prp_get_dens.F... Compiling hnd_prp_vec_read.F... Compiling hnd_prop_dens_make.F... Compiling hnd_property.F... hnd_property.F:96:50: 83 | if (.not. rtdb_get(rtdb, 'prop:nocheck',mt_log, 1, nocheck)) then | 2 ...... 96 | status=rtdb_get(rtdb,'prop:gshift',MT_INT,1,gshift) ! FA-09-16-10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_property.F:188:13: 182 | & job_grid_acc))call errquit('hnd_property:rtdbput failed', | 2 ...... 188 | & .false.)) call errquit('hnd_property:rtdbput failed',2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling giaofock.F... giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here giaofock.F:127:72: 127 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:23:23: 23 | integer npol,ntot | ^ note: 'ntot' was declared here giaofock.F:151:72: 151 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:42:33: 42 | double precision factor_cam,cam_alpha1,cam_beta1 | ^ note: 'factor_cam' was declared here giaofock.F:478:72: 478 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:366:23: 366 | integer npol,ntot | ^ note: 'ntot' was declared here giaofock.F:503:72: 503 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:388:44: 388 | & cam_alpha1,cam_beta1,factor_cam | ^ note: 'factor_cam' was declared here Compiling hnd_giaox.F... hnd_giaox.F:287:64: 284 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 287 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_giaox.F:832:60: 830 | call ecce_print1('shielding isotropic',MT_DBL,isotr,1) | 2 831 | call ecce_print1('shielding anisotropy',MT_DBL,aniso,1) 832 | call ecce_print1('shielding eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_hyperfine_zora.F... hnd_hyperfine_zora.F:307:32: 121 | status=rtdb_get(rtdb,'prop:hypfile',mt_int,1,hypfile) ! for NLMO analysis | 2 ...... 307 | & mt_log,1,skip_cphf_ev_hyp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:324:55: 230 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 324 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:591:60: 589 | call ecce_print1('hyperfine isotropic',MT_DBL,isotr,1) | 2 590 | call ecce_print1('hyperfine anisotropy',MT_DBL,aniso,1) 591 | call ecce_print1('hyperfine eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:568:43: 568 | & span*conv2MHz, | ^ Warning: 'conv2mhz' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:52: 37 | double precision a(6),axs(3,3),eig(3),conv2MHz | ^ note: 'conv2mhz' was declared here Compiling hnd_gshift_zora.F... hnd_gshift_zora.F:2750:57: 2744 | & mt_log,1,skip_csAOev)) | 2 ...... 2750 | status=rtdb_get(rtdb,'prop:shldfile' ,mt_int,1,shldfile) ! for NLMO analysis | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_gshift_zora.F:4308:19: 3123 | & vectors, ! in: MOs | 2 ...... 4308 | & g_dens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:4337:18: 3157 | & vectors, ! in: MOs | 2 ...... 4337 | & g_sdens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:2151:24: 2151 | call ga_print(vectors) | 1 ...... 5992 | call ga_print(g_munuEPRdia) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:353:60: 267 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 353 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_gshift_zora.F:1141:59: 1139 | call ecce_print1('g-shifts isotropic',MT_DBL,isotr,1) | 2 1140 | call ecce_print1('g-shifts anisotropy',MT_DBL,aniso,1) 1141 | call ecce_print1('g-shifts eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:5074:34: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_coul' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:46: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_exch' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:58: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_nojk' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5075:32: 5075 | & val_ov_1e,val_ov_eSji | ^ Warning: 'val_ov_1e' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5204:72: 5204 | par_arr(9,iy,ix)=val_ov_eSji*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_esji' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5075:44: 5075 | & val_ov_1e,val_ov_eSji | ^ note: 'val_ov_esji' was declared here hnd_gshift_zora.F:2125:72: 2125 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:2058:25: 2058 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here hnd_gshift_zora.F:4939:72: 4939 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:4881:25: 4881 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here Compiling hnd_giaox_zora.F... hnd_giaox_zora.F:352:60: 256 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 352 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:681:32: 224 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, npol)) then | 2 ...... 681 | & mt_log,1,skip_cphf_ev_shield)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:1072:61: 1070 | call ecce_print1('shielding isotropic' ,MT_DBL,isotr,1) | 2 1071 | call ecce_print1('shielding anisotropy' ,MT_DBL,aniso,1) 1072 | call ecce_print1('shielding eigenvalues' ,MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling int_giao_1ega.F... int_giao_1ega.F:155:10: 155 | if (type.lt.9) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:42:18: 42 | integer type | ^ note: 'type' declared here int_giao_1ega.F:157:72: 157 | max1e = max1e*nblocks | ^ Warning: 'nblocks' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:45:21: 45 | integer nblocks | ^ note: 'nblocks' was declared here Compiling giao_aotomo.F... Compiling hnd_diag.F... Compiling hnd_spinspin.F... hnd_spinspin.F:299:54: 291 | call ecce_print1('index atom one',MT_INT,i,1) | 2 ...... 299 | call ecce_print1('spinspin isotropic',MT_DBL,isotr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling hnd_sdfc.F... Compiling hnd_psoten.F... Compiling hnd_dsoten.F... Compiling prop_atom.F... Compiling aoresponse_driver.F... aoresponse_driver.F:215:21: 179 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 215 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). aoresponse_driver.F:942:26: 704 | if (.not.ga_destroy(g_temp)) call | 2 ...... 942 | if (.not.ga_destroy(g_vectors)) call | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling aoresponse_driver_new.F... aoresponse_driver_new.F:256:21: 215 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 256 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling int_mpole_1ega.F... Compiling aoresponse.F... aoresponse.F:636:58: 624 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 2 ...... 636 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aoresponse_beta.F... aoresponse_beta.F:568:58: 560 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 568 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aor_write_roadata.F... Compiling aoresponse_beta2.F... aoresponse_beta2.F:452:58: 444 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 452 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling fiao_f1_movecs.F... fiao_f1_movecs.F:333:56: 290 | & mt_int, 1,index4cphf)) call | 2 ...... 333 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling aor_r1_tensor.F... aor_r1_tensor.F:391:72: 391 | & g_temp) ! in : scratch GA array | ^ Warning: 'coeffim' may be used uninitialized [-Wmaybe-uninitialized] aor_r1_tensor.F:128:52: 128 | double precision ga_trace_diag,coeffre,coeffim | ^ note: 'coeffim' was declared here Compiling aor_r1_tensor_giao.F... Compiling aor_r1_beta.F... Compiling aor_r1_beta_anl.F... Compiling giao_b1_movecs.F... giao_b1_movecs.F:355:26: 217 | & mt_int, 1,ndata)) call | 2 ...... 355 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fiao_b1_movecs.F... fiao_b1_movecs.F:217:26: 159 | & mt_int, 1,ndata)) call | 2 ...... 217 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling get_vecB1.F... Compiling get_vecF1.F... Compiling aor_get_fiaoints.F... Compiling aor_get_giaoints.F... aor_get_giaoints.F:269:61: 264 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 269 | if (.not. rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,ifld)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aoresponse_giao_rhs.F... aoresponse_giao_rhs.F:294:64: 291 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 294 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling get_alfaorbeta_reim.F... get_alfaorbeta_reim.F:411:72: 411 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:30: 367 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here get_alfaorbeta_reim.F:405:72: 405 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:25: 367 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:247:72: 247 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:30: 206 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here get_alfaorbeta_reim.F:241:72: 241 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:25: 206 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here Compiling CalcPerturbedTDPmat1.F... Compiling CalcPerturbedTDPmat1_opt.F... Compiling localization_driver.F... localization_driver.F:422:53: 271 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 422 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs, g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localization_driver.F:468:53: 271 | $ 1.0d0, g_smat, g_movecs(1), 0.0d0, g_sc) | 2 ...... 468 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs,g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ibo_localization.F... ibo_localization.F:638:9: 638 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'noff' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:33: 66 | integer n1, n2, nsing, noff | ^ note: 'noff' declared here ibo_localization.F:638:9: 638 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'n1' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:16: 66 | integer n1, n2, nsing, noff | ^ note: 'n1' declared here ibo_localization.F:648:72: 648 | do jmo = 1,n2 | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:20: 66 | integer n1, n2, nsing, noff | ^ note: 'n2' declared here Compiling hnd_vec_write.F... Compiling giao_b1_movecs_tools.F... giao_b1_movecs_tools.F:78:60: 78 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .false.)) | 1 ...... 758 | $ calc_type_save)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling aor_r1_beta_anl_tools.F... Compiling task_raman.F... task_raman.F:525:51: 487 | & rmmodes*4, rminfo(1,1))) | 2 ...... 525 | status=rtdb_get(rtdb,'raman:aores0',mt_log,1,ramanspc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_raman.F:1268:14: 718 | if (.not. rtdb_put(rtdb,'raman:aores1',mt_int, 1,ii)) call ! FA-06-18-12 | 2 ...... 1268 | $ gamwidth_in)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling raman_input.F... raman_input.F:93:58: 71 | if (.not.rtdb_put(rtdb, 'prop:newaoresp', mt_int, 1,1)) | 2 ...... 93 | if (.not.rtdb_put(rtdb,'raman:hyperraman',mt_log,1,hyperraman)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling raman.F... raman.F:576:61: 375 | if (.not. rtdb_get(rtdb, 'raman:numpts ', mt_int,1 , numpts)) | 2 ...... 576 | if (.not. rtdb_get(rtdb, 'raman:alfare ', mt_dbl, 9, alfare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). raman.F:1160:31: 741 | 10 call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 ...... 1160 | call ga_brdcst(msg_frq,dbl_mb(k_scr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling waimfile.F... waimfile.F:618:61: 335 | if (.not. rtdb_get(rtdb, 'prop:nowfx',mt_log, 1, nowfx)) | 2 ...... 618 | $ , MT_DBL,1,etot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). waimfile.F:1238:72: 1238 | i=i+nsf*np | ^ Warning: 'nsf' may be used uninitialized [-Wmaybe-uninitialized] waimfile.F:1152:30: 1152 | integer np,iorb,forb,nsf | ^ note: 'nsf' was declared here waimfile.F:1152:21: 1152 | integer np,iorb,forb,nsf | ^ Warning: 'iorb' may be used uninitialized [-Wmaybe-uninitialized] waimfile.F:1152:26: 1152 | integer np,iorb,forb,nsf | ^ Warning: 'forb' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_eldmap_grid.F... hnd_eldmap_grid.F:111:35: 94 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 111 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling prop_moldenfile.F... Compiling prop_grid.F... prop_grid.F:38:55: 27 | if(.not.rtdb_get(rtdb,'prop:grid:pad',MT_DBL,3,pad)) then | 2 ...... 38 | if(.not.rtdb_get(rtdb,'prop:grid:ngrid',MT_INT,3,ngrid)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling prop_polfromsos.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o ibo_localization.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' Making libraries in solvation make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Compiling mnsol_mem.F... Compiling mnsol_interface.F... mnsol_interface.F:62:58: 54 | if (.not. rtdb_put(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 2 ...... 62 | if (.not. rtdb_put(rtdb, 'cosmo:dcds', mt_dbl,3*nat,dcds)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mnsol.F... mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'lab' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'ncnct' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'conect' at (1); passed REAL(8) to LOGICAL(8) mnsol.F:1436:31: 1436 | IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1562:42: 1562 | IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1785:43: 1785 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1788:43: 1788 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:56:19: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) mnsol.F:56:21: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'dcds' at (1) (rank-2 and scalar) mnsol.F:56:26: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'ian' at (1) (rank-1 and scalar) mnsol.F:56:52: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'x' at (1) (rank-1 and scalar) Compiling solv_data.F... Compiling cosmo_smd_output.F... Compiling cosmo_vem_output.F... Compiling cosmo_lebedev.F... Compiling cosmo_fibonacci.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Compiling cosmo_input.F... cosmo_input.F:181:51: 177 | $ rtdb_put(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 181 | $ rtdb_put(rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cosmo_initialize.F... cosmo_initialize.F:165:34: 163 | call ga_brdcst(msg_cosmo0,nmap, | 2 164 | > ma_sizeof(mt_int,1,mt_byte),0) 165 | call ga_brdcst(msg_cosmo1,crad, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cosmo_initialize.F:278:41: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 278 | O 'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cosmo_initialize.F:390:52: 171 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad(1))) | 2 ...... 390 | if (.not. rtdb_put(rtdb,'cosmo:icds',mt_int,1,icds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cosmo_initialize.F:475:54: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 475 | $ rtdb_get(rtdb,'cosmo:pol_cosmo_vem',mt_dbl,2,pol_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cosmo_tidy.F... Compiling cosmo_def_radii.F... cosmo_def_radii.F:271:52: 265 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 271 | $ status = rtdb_get(rtdb,'cosmo:sola',mt_dbl,1,sola) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling cosmo_charges.F... cosmo_charges.F:102:55: 83 | if(.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 102 | if(.not.rtdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cosmo_charges.F:346:72: 346 | do i = 1, ndens | ^ Warning: 'ndens' may be used uninitialized [-Wmaybe-uninitialized] cosmo_charges.F:263:19: 263 | integer ndens,nvirt(2) | ^ note: 'ndens' declared here Compiling grad_hnd_cos.F... grad_hnd_cos.F:197:23: 188 | $ dbl_mb(k_rad)) | 2 ...... 197 | $ int_mb(k_efciat))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). grad_hnd_cos.F:451:72: 451 | zeta12 = zeta1*zeta2/sqrt(zeta1**2+zeta2**2) | ^ Warning: 'zeta1' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:131:28: 131 | double precision zeta1, zeta2, zeta12 | ^ note: 'zeta1' was declared here grad_hnd_cos.F:491:72: 491 | dE = dz * fact | ^ Warning: 'fact' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:129:37: 129 | double precision dE, qfac, fact, dx, dy, dz, rr | ^ note: 'fact' was declared here Compiling hnd_cosmo_lib.F... hnd_cosmo_lib.F:897:55: 894 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 897 | if(.not.rtdb_put(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_cosmo_lib.F:612:32: 612 | $ iangleb.lt.1.and.fibonacci.lt.1) then | ^ Warning: 'dbug' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:402:22: 402 | logical dbug | ^ note: 'dbug' was declared here hnd_cosmo_lib.F:809:72: 809 | dbl_mb(k_efczz+ief-1) =zetai | ^ Warning: 'zetai' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:433:56: 433 | double precision ratm_real,dij,dum,cavdsp,pi,zetai,zetaii | ^ note: 'zetai' was declared here Compiling hnd_coschg.F... hnd_coschg.F:619:43: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 619 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_coschg.F:640:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 640 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1208:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1208 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1212:53: 921 | d dbl_mb(i20))) then | 2 ...... 1212 | if(.not.rtdb_put(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hnd_coschg.F:1280:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1280 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cosmo_thomson.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_lebedev.o cosmo_fibonacci.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o hnd_cosmo_lib.o hnd_coschg.o cosmo_thomson.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Making libraries in nwpw make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Compiling nwpw_input.F... nwpw_input.F:436:53: 349 | 1510 if (.not.rtdb_put(rtdb,'pspw_qmmm_auxon',mt_log,1,.true.)) | 2 ...... 436 | value = rtdb_put(rtdb,'band:dos-grid',mt_int,3,cell_expand) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nwpw_input.F:1467:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1467 | > mt_dbl,1,ff)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_input.F:1475:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1475 | > mt_int,1,nz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1631:62: 1462 | > mt_int,2,loop)) then | 2 ...... 1631 | if (.not.rtdb_get(rtdb,'nwpw:pspspin_count',mt_int,1,nz)) nz=0 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1784:56: 1462 | > mt_int,2,loop)) then | 2 ...... 1784 | if (.not.rtdb_get(rtdb,'nwpw:nuterms',mt_int,1,nuterms)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nwpw_default.F... nwpw_default.F:165:54: 151 | > frac_coord) | 2 ...... 165 | > btdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpw_vectors_input.F... nwpw_vectors_input.F:243:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 243 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_vectors_input.F:262:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 262 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Making all in nwpwlib make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making all in Parallel make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Compiling Parallel.F... Parallel.F:808:19: 626 | call ycopy(n,a,1,b,1) | 2 ...... 808 | call ycopy(n,0.0d0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:866:19: 685 | call scopy(n,a,1,b,1) | 2 ...... 866 | call scopy(n,0.0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:931:23: 626 | call ycopy(n,a,1,b,1) | 2 ...... 931 | call ycopy(n1,0.0d0,0,c(1,j),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling Parallel-mpi.F... Parallel-mpi.F:1342:72: 1342 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:210:72: 210 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:221:72: 221 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:387:72: 387 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:401:72: 401 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:414:72: 414 | call stupid_icopy8to4(np_k,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:584:28: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:584:34: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:782:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:782:39: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:783:22: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 783 | > MPI_DOUBLE_PRECISION, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:22: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:30: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:41: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:819:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:819:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:822:19: 785 | call ycopy(n,sumall(1),1,sum,1) | 2 ...... 822 | call ycopy(n,sumall,1,sum0,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Parallel-mpi.F:872:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 872 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:973:72: 973 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:978:72: 978 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1071:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1071 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1117:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1117 | call MPI_Bcast(isum4,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:1169:72: 1169 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1172:72: 1172 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1267:72: 1267 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1616:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 1616 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1683:72: 1683 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1688:72: 1688 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1785:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1785 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1889:72: 1889 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1892:72: 1892 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2106:27: 1975 | call MPI_IRECV(A2, | 2 ...... 2106 | call MPI_IRECV(IA2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2124:27: 1991 | call MPI_ISEND(A1, | 2 ...... 2124 | call MPI_ISEND(IA1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2264:72: 2264 | call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2268:20: 2225 | call MPI_SEND(rval,stupid_msglen,stupid_double, | 2 ...... 2268 | call MPI_SEND(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2399:20: 2348 | call MPI_RECV(rval,stupid_msglen,stupid_double, | 2 ...... 2399 | call MPI_RECV(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2403:72: 2403 | call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a Parallel.o Parallel-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Making all in D1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Compiling D1dB.F... Compiling Dne.F... Dne.F:3216:22: 1027 | > Ain(shift), 2*npack1, | 2 ...... 3216 | > A(shift2), n, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:3219:22: 1030 | > Aout(shift),2*npack1) | 2 ...... 3219 | > C(shift2), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2996:19: 1210 | > A1(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2996 | > A(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2999:19: 1213 | > A2(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2999 | > B(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1086:19: 1086 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3181 | > A(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1093:19: 1093 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3188 | > C(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1686:68: 1686 | call Parallel_shared_vector_zero(.true.,2*(ne(1)+ne(2)),eig) | 1 ...... 5307 | call Parallel_shared_vector_zero(.true.,nall,B) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1787:47: 1787 | call ycopy(2*(ne(1)+ne(2)),0.0d0,0,eig,1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1814:39: 1814 | call ycopy(2*ne(ms)*ne(ms),hml(shift1),1,dbl_mb(tmp1(1)),1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1816:23: 1722 | > dcpl_mb(tmp1(1)),ne(ms), | 2 ...... 1816 | > dbl_mb(tmp1(1)),ne(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:23: 1724 | > U(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:41: 1725 | > V(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1819:23: 1726 | > dcpl_mb(tmp4(1)),2*ne(1)*ne(1), | 2 ...... 1819 | > dbl_mb(tmp2(1)),2*ne(1)*ne(1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2300:56: 2152 | call dscal_omp(n2ft3d,(1.0d0/L(indx0)),A(1,q),1) | 2 ...... 2300 | call DSCAL_OMP(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:2421:52: 2218 | call yscal(ne(ms),sum,U(shift),1) | 2 ...... 2421 | call yscal(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:4237:49: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:4237:51: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:5396:46: 5216 | > call D1dB_Brdcst_values(kcur,2*npack1,dcpl_mb(A(1))) | 2 ...... 5396 | call D1dB_Brdcst_values(kcur,1,RRM) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:6684:22: 4975 | > A(shift2), | 2 ...... 6684 | > m2cq(ms),int_mb(m2c(1,ms)),int_mb(n2c(1,ms)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Dne.F:7822:22: 948 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7822 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7829:22: 955 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7829 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7844:22: 990 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7844 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7851:22: 997 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7851 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7243:72: 7243 | > 'work1in',work1in(2),work1in(1)) | ^ Warning: 'mcin' may be used uninitialized [-Wmaybe-uninitialized] Dne.F:7198:23: 7198 | integer mcin(2,NBLOCKS),ncin(2,NBLOCKS) | ^ note: 'mcin' declared here Compiling Dnex.F... Compiling skew.F... Compiling Dne_omp.F... Dne_omp.F:595:19: 428 | > A(shift2), n, | 2 ...... 595 | > Ain(shift+mstart), 2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne_omp.F:598:19: 431 | > C(shift2), n) | 2 ...... 598 | > Aout(shift+mstart),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling D1dB-mpi.F... D1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling D1dBs-mpi.F... D1dBs-mpi.F:142:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 142 | call MPI_Allreduce(sum,real_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Making all in D3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Compiling D3dB-new.F... D3dB-new.F:1019:61: 993 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 2 ...... 1019 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:61: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:63: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1709:72: 1709 | call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1718:72: 1718 | call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1804:72: 1804 | call cshift1_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1810:72: 1810 | call zeroend_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1839:31: 1714 | call drfftb(nx(nb),A(indx),dcpl_mb(tmpx(1,nb))) | 2 ...... 1839 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1856:31: 1601 | call dcfftb(nz(nb),dcpl_mb(tmp2(1)),dcpl_mb(tmpz(1,nb))) | 2 ...... 1856 | call dcfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2249:72: 2249 | call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2409:72: 2409 | call cshift_fftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2491:31: 2247 | call drfftf(nx(nb),A((j-1)*nxh+1),dcpl_mb(tmpx(1,nb)+offset)) | 2 ...... 2491 | call drfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2508:31: 2304 | > dcpl_mb(tmpy(1,nb)+offset)) | 2 ...... 2508 | call dcfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling D3dBs-new.F... D3dBs-new.F:41:62: 18 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 2 ...... 41 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:62: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:64: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:573:72: 573 | call cshift1_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:582:72: 582 | call zeroend_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:641:72: 641 | call cshift1_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:647:72: 647 | call zeroend_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:673:31: 578 | call srfftb(nx(nb),A(indx),scpl_mb(tmpx(1,nb))) | 2 ...... 673 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:686:31: 513 | call scfftb(nz(nb),scpl_mb(tmp2(1)),scpl_mb(tmpz(1,nb))) | 2 ...... 686 | call scfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:852:72: 852 | call cshift_sfftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:956:72: 956 | call cshift_sfftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:1015:31: 850 | call srfftf(nx(nb),A((j-1)*nxh+1),scpl_mb(tmpx(1,nb)+offset)) | 2 ...... 1015 | call srfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:1028:31: 879 | > scpl_mb(tmpy(1,nb)+offset)) | 2 ...... 1028 | call scfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). Compiling generate_map_indexes.F... Compiling hilbert.c... hilbert.c: In function 'hilbert2d': hilbert.c:137:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] 137 | int start,direction; | ^~~~~~~~~ hilbert.c: In function 'hilbert_dir': hilbert.c:280:11: warning: 'direction' may be used uninitialized [-Wmaybe-uninitialized] 280 | return direction; | ^~~~~~~~~ hilbert.c:162:9: note: 'direction' was declared here 162 | int direction,parent_direction, | ^~~~~~~~~ Compiling hcurve.c... Compiling olist.c... Compiling trans.F... Compiling D3dB_pfft.F... D3dB_pfft.F:4018:35: 3762 | call ycopy((nx(id)+2)*ny(id)*nq(id),tmp2,1,tmp1,1) | 2 ...... 4018 | call ycopy(4*nfft3d(1)*aqmax,0.0d0,0,dcpl_mb(atmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:24: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:31: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:27: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:34: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:27: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:34: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:24: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:31: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling D3dBs_pfft.F... D3dBs_pfft.F:972:24: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:972:31: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:27: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:34: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:27: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:34: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:24: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:31: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). Compiling D3dB-mpi.F... D3dB-mpi.F:502:27: 502 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 ...... 692 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:534:26: 534 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 ...... 724 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:881:28: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:881:40: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:946:25: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 946 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:1127:17: 669 | call ycopy(msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 2 ...... 1127 | > tmp1(int_mb(i1_start(1,nbb)+1-1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:1128:17: 670 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 2 ...... 1128 | > tmp2(int_mb(i2_start(1,nbb)+1-1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:3257:29: 2766 | call dread(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 3257 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3312:29: 2814 | call MPI_RECV(tmp, | 2 ...... 3312 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4858:30: 4271 | call dwrite(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 4858 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:6107:21: 478 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 6107 | > tmp1(int_mb(ic1_start(1)+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6108:21: 479 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 6108 | > tmp2(int_mb(ic2_start(1)+1-1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6984:26: 693 | > stupid_msglen,stupid_double, | 2 ...... 6984 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dB-mpi.F:7037:27: 1621 | call MPI_ISEND(A(indx), | 2 ...... 7037 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(8)). D3dB-mpi.F:7038:27: 1622 | > stupid_msglen,stupid_complex, | 2 ...... 7038 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dB-mpi.F:629:23: 629 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] D3dB-mpi.F:426:23: 426 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] Compiling D3dBs-mpi.F... D3dBs-mpi.F:663:24: 90 | > tmp1(int_mb(i1_start(1,nb)+1-1)), | 2 ...... 663 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:664:24: 91 | > tmp2(int_mb(i2_start(1,nb)+1-1))) | 2 ...... 664 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:686:27: 114 | call MPI_IRECV(tmp2(int_mb(i2_start(1,nb)+it+1-1)), | 2 ...... 686 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:718:26: 146 | call MPI_SEND(tmp1(int_mb(i1_start(1,nb)+it+1-1)), | 2 ...... 718 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:3286:26: 115 | > stupid_msglen,stupid_scomplex, | 2 ...... 3286 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:3339:27: 1338 | call MPI_ISEND(A(indx), | 2 ...... 3339 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(4)). D3dBs-mpi.F:3340:27: 1339 | > stupid_msglen,stupid_scomplex, | 2 ...... 3340 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:5218:25: 5120 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 5218 | call MPI_Allreduce(sum,real_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dBs-mpi.F:421:23: 421 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] D3dBs-mpi.F:622:23: 622 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Making all in Pneb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Compiling Pneb.F... Pneb.F:2045:55: 2044 | call Parallela_Brdcst_values(1,MASTER,2*(vindex-1),V) | 2 2045 | call Parallela_Brdcst_values(1,MASTER,(sindex-1),S) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1589:54: 1589 | if (np.gt.1) call C3dB_Vector_SumAll(2*nsize,hml) | 1 ...... 3223 | if (np.gt.1) call C3dB_Vector_SumAll(nsize,hml) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:4542:51: 1097 | call Parallel_shared_vector_zero(.true.,2*nsize,w) | 2 ...... 4542 | call Parallel_shared_vector_zero(.true.,nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:4550:35: 4518 | call C1dB_Vector_SumAll(2*nall,B) | 2 ...... 4550 | call C1dB_Vector_SumAll(nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1268:72: 1268 | > dcpl_mb(mat_tmp(1)),hml) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) Pneb.F:2564:26: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2564:34: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:31: 2576 | > sum2) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2579:72: 2579 | call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:31: 2583 | > sum3) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2834:35: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2834:51: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:29: 3125 | > tmp) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:4472:72: 4472 | > dbl_mb(svec_shift)) | 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:5272:60: 5272 | > nbsize*4*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 1 ...... 5416 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5600:30: 1886 | call dscal_omp(2*nsize,alpha,hml,1) | 2 ...... 5600 | call DSCAL_OMP(nn,alpha,M,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5817:64: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5817:66: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5524:17: 5524 | real*8 sum | ^ Warning: 'sum' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5770:32: 5770 | integer nb,nb1,nb2,ishift3,ishift4,nbsize,nn,i | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5896:72: 5896 | shift1 = 1 + (ms-1)*ishift1 + (nb-1)*ishift3 | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5867:32: 5867 | integer nb,nb1,nb2,ishift3,ishift4 | ^ note: 'ishift3' was declared here Pneb.F:5979:72: 5979 | > 4*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5950:16: 5950 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here Pneb.F:6042:72: 6042 | > 8*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:6013:16: 6013 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a Pneb.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Making all in K1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Compiling K1dB.F... Compiling K1dB-mpi.F... K1dB-mpi.F:73:27: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:73:39: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:209:28: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 209 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a K1dB.o K1dB-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Making all in C1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Compiling C1dB.F... Compiling C1dB-mpi.F... C1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a C1dB.o C1dB-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Making all in C3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Compiling C3dB-new.F... C3dB-new.F:841:61: 828 | call Parallel_shared_vector_zero(.true.,2*nfft3d_map(nb),A) | 2 ...... 841 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:61: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:63: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:2037:35: 2011 | call RCV(9+MSGDBL,tmp(k),mdtob(msglen),rcv_len, | 2 ...... 2037 | call RCV(9+MSGINT,idum,mitob(msglen),rcv_len, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). C3dB-new.F:2039:35: 2010 | call SND(9+MSGINT,idum,mitob(msglen),source,1) | 2 ...... 2039 | call SND(9+MSGDBL,tmp,mdtob(msglen),dest,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). C3dB-new.F:3409:39: 3348 | call C3dB_Vector_SumAll(2,suma) | 2 ...... 3409 | call C3dB_Vector_SumAll(nn*ne,sumall) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_trans.F... Compiling C3dB_pfft.F... Compiling C3dB-mpi.F... C3dB-mpi.F:688:24: 492 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 688 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:689:24: 493 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 689 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:713:27: 517 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 ...... 713 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:745:26: 549 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 ...... 745 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:909:28: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:909:40: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:972:25: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 972 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-mpi.F:2881:29: 2605 | call dread(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 2881 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:2928:29: 2653 | call MPI_RECV(tmp, | 2 ...... 2928 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:4296:30: 3709 | call dwrite(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 4296 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:452:23: 452 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] C3dB-mpi.F:645:23: 645 | integer i,nnfft3d | ^ Warning: 'nnfft3d' may be used uninitialized [-Wmaybe-uninitialized] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Making all in DMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Compiling DMatrix.F... Compiling DMatrix-mpi.F... DMatrix-mpi.F:1625:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1625 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1671:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1671 | call MPI_Bcast(v2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1892:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1892:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:3096:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3096 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:3141:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3141 | call MPI_Bcast(r2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a DMatrix.o DMatrix-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Making all in CMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Compiling CMatrix.F... Compiling CMatrix-mpi.F... CMatrix-mpi.F:1070:39: 288 | call Parallel_shared_vector_zero(.true.,ne0,Bcol(1+(j-1)*ne0)) | 2 ...... 1070 | > C) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1100:27: 1100 | call MPI_Bcast(work1,stupid_msglen, | 1 ...... 1244 | call MPI_Bcast(work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:25: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:31: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1138:51: 1138 | call DAXPY_OMP(nc(taskid_j+1),1.0d0,work1(shift),iwrk, | 1 ...... 1280 | > work2(shift),1, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1139:42: 1139 | > C(i+1,1),mc(taskid_i+1)) | 1 ...... 1281 | > C(1,j+1),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1849:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1849:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1941:27: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:1941:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:2186:59: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft3' may be used uninitialized [-Wmaybe-uninitialized] CMatrix-mpi.F:2186:53: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft2' may be used uninitialized [-Wmaybe-uninitialized] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a CMatrix.o CMatrix-mpi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Making all in TMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Compiling dgemm_omp.F... Compiling dgamm_omp.F... Compiling daxpy_omp.F... Compiling saxpy_omp.F... Compiling dscal_omp.F... Compiling zscal_omp.F... Compiling ffm_multiply_omp_group.F... Compiling zgemm_omp.F... Compiling sgemm_omp.F... Compiling ffw_multiply_omp_group.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Making all in control make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Compiling control.F... control.F:4968:26: 4968 | > dbl_mb(kvs(1))) | 1 ...... 5875 | if (.not.btdb_get(rtdb,'nwpw:3x3ne_virtual',mt_log,1,value)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). control.F:1577:54: 1577 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) then | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control_gga.fh:372:60: 64 | value = rtdb_put(rtdb,'cpsd:ispin',mt_int,1,2) | 2 ...... 372 | value = value.and.rtdb_put(rtdb,'pspw:HFX',mt_log,1,.true.) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). control.F:663:22: 663 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1061:22: 1061 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1099:22: 1099 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1175:25: 1175 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1179:58: 1179 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1193:28: 1193 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1197:58: 1197 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1203:22: 1203 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2567:19: 2567 | call ycopy(9,unita_in,1,unita,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2576:52: 2576 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2595:19: 2595 | call ycopy(9,unita,1,unita_out,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2626:19: 2626 | call ycopy(9,unita_in,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2635:52: 2635 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:7456:55: 6199 | > mt_dbl,1,wcut_atom)) | 2 ...... 7456 | value = btdb_put(rtdb,'nwpw:excited_ne',mt_int,2,ne) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling psi_get_ne.F... psi_get_ne.F:53:22: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:56:22: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:64:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 63 | msglen = 3 64 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:70:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:157:22: 52 | call iread(4,version,1) | 2 ...... 157 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:160:22: 52 | call iread(4,version,1) | 2 ...... 160 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:168:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 168 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:174:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 174 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:257:22: 52 | call iread(4,version,1) | 2 ...... 257 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:260:22: 52 | call iread(4,version,1) | 2 ...... 260 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:271:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 271 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:277:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 277 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:363:22: 52 | call iread(4,version,1) | 2 ...... 363 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:366:22: 52 | call iread(4,version,1) | 2 ...... 366 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:377:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 377 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:383:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 383 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_get_version.F... Compiling psi_get_header.F... psi_get_header.F:53:25: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:56:25: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:74:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 74 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:80:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:124:22: 52 | call iread(4,version,1) | 2 ...... 124 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:127:22: 52 | call iread(4,version,1) | 2 ...... 127 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:135:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 135 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:141:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 141 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_get_header.F... cpsi_get_header.F:45:22: 44 | call iread(4,version,1) | 2 45 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:48:22: 44 | call iread(4,version,1) | 2 ...... 48 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:57:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 56 | msglen = 3 57 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:63:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 63 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_check_header.F... rho_check_header.F:58:25: 57 | call iread(4,version,1) | 2 58 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_check_header.F:80:52: 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_psp_type.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Making all in lattice make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Compiling lattice.f... lattice.f:1160:19: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1160 | call ycopy(9,0.0d0,0,a,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1165:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1165 | call ycopy(6*n2ft3d,0.0d0,0,xs,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1435:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1435 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1509:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1509 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1710:24: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1710 | call ycopy(n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mask_init.F... Compiling pack.F... pack.F:2993:66: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:2993:68: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:469:55: 469 | call Parallel_shared_vector_zero(.true.,2*nfft3d,A) | 1 ...... 696 | call Parallel_shared_vector_zero(.true.,nfft3d,A) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pack.F:758:24: 757 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 758 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cloak.F... Compiling cram.F... cram.F:223:26: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 223 | call ycopy(2*nfft3d,0.0d0,0,A,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:352:28: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 ...... 352 | call ycopy(nfft3d,A,1,dbl_mb(tmp1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:401:24: 400 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 401 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:983:45: 743 | call C3dB_Vector_SumAll(2*ne,sum) | 2 ...... 983 | if (np.gt.1) call C3dB_Vector_SumAll(2,tsum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:1290:42: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1290:49: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:66: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:68: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling balance.F... balance.F:483:24: 416 | > A(indx), | 2 ...... 483 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). balance.F:501:24: 434 | > A(indx), | 2 ...... 501 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). Compiling c_balance.F... c_balance.F:457:24: 390 | > A(indx), | 2 ...... 457 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_balance.F:475:24: 408 | > A(indx), | 2 ...... 475 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling G_init.F... Compiling c_G_init.F... Compiling strfac.F... Compiling cstrfac.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Making all in io make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Compiling compressed_io.c... Compiling nwpw_message.F... Compiling second.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a compressed_io.o nwpw_message.o second.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Making all in ion make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Compiling center.f... Compiling ion_FixIon.F... Compiling incell1.f... Compiling incell2.f... Compiling incell3.f... Compiling unfold.f... Compiling xyz.F... Compiling ion.F... ion.F:815:15: 815 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:4867:27: 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 ...... 4867 | call ycopy(nat3*nat3,hess,1,hessp,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ion.F:117:56: 117 | value = btdb_put(rtdb,"nwpw:ke_count",mt_int,1,ke_count) | 1 ...... 4520 | > nhess,dbl_mb(ihess(1)))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:397:57: 397 | if (.not.btdb_get(rtdb,"nwpw:ke_count",mt_int,1,ke_count)) | 1 ...... 4483 | > nhess,dbl_mb(ihess(1))) .and. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:758:15: 758 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:3071:26: 3071 | call ycopy((3*nion),rion,1,dbl_mb(r1(1)),1) | 1 ...... 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ion.F:1951:40: 1951 | integer function ion_rion_indx_ptr(indx) | ^ Warning: '__result_ion_rion_indx_ptr' may be used uninitialized [-Wmaybe-uninitialized] Compiling katm_list.F... Compiling fcoord.f... Compiling seperate_molpsp.F... seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling seperate_pointcharge.F... seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling ion_scaling_atoms.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making all in shake make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' Compiling shake_chain.F... Compiling shake_chain2.F... Compiling shake_chain3.F... Compiling shake_bonddiff.F... Compiling shake_analysis.F... Compiling molecular.F... Compiling pspw_molecule.c... Compiling pspw_atom.c... Compiling pspw_bond.c... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making all in pseudopotential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Compiling psp_generator_input.F... Compiling pspsolve.c... In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] 84 | char *soutfile = (char *) malloc (m0 + m2 + 9); | ^~~~~~~~ rpspsolve.c:66:16: warning: unused variable 'l' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:10: warning: unused variable 'j' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ pspsolve.c: In function 'pspsolve_': pspsolve.c:77:42: warning: 'psil_extra' may be used uninitialized [-Wmaybe-uninitialized] 77 | double *rl, *rhol, **psil_ae,**psil, **psil_extra, **pspl; | ^~~~~~~~~~ Compiling hgh_parse.c... hgh_parse.c: In function 'hgh_parse_': hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] 85 | char words[20][80]; | ^~~~~ hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] 84 | int argc,value; | ^~~~~ hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 84 | int argc,value; | ^~~~ hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] 83 | char line[255]; | ^~~~ hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] 66 | int nmax_l[4]; | ^~~~~~ hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 63 | double rlocal_out; | ^~~~~~~~~~ hgh_parse.c:62:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ hgh_parse.c:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ Compiling cpi_parse.c... cpi_parse.c: In function 'cpi_parse_': cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 99 | int argc,value; | ^~~~ Compiling teter_parse.c... teter_parse.c: In function 'teter_parse_': teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 101 | int argc; | ^~~~ teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] 90 | double r0,xx; | ^~ Compiling carter_parse.c... carter_parse.c: In function 'carter_parse_': carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 97 | int argc; | ^~~~ carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~~ carter_parse.c:89:31: warning: unused variable 'e99' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~ carter_parse.c:87:14: warning: unused variable 'n' [-Wunused-variable] 87 | int n[10]; | ^ carter_parse.c:86:17: warning: unused variable 'xx' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:86:14: warning: unused variable 'r0' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:85:24: warning: variable 'lmaxp' set but not used [-Wunused-but-set-variable] 85 | int lmax,locp,lmaxp; | ^~~~~ carter_parse.c:83:22: warning: unused variable 'rmax' [-Wunused-variable] 83 | double drl=0.0,rmax; | ^~~~ carter_parse.c:82:7: warning: unused variable 'pspl' [-Wunused-variable] 82 | **pspl; | ^~~~ carter_parse.c:81:7: warning: unused variable 'psil' [-Wunused-variable] 81 | **psil, | ^~~~ carter_parse.c:80:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ carter_parse.c:80:56: warning: unused variable 'sc_drho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:37: warning: unused variable 'sc_rho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ carter_parse.c:80:30: warning: unused variable 'tmp2' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ carter_parse.c:80:24: warning: unused variable 'tmp' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ carter_parse.c:80:19: warning: unused variable 'rl' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ carter_parse.c:77:18: warning: unused variable 'l' [-Wunused-variable] 77 | int i,k,l,p,p1; | ^ carter_parse.c:76:15: warning: unused variable 'nl' [-Wunused-variable] 76 | int *nl; | ^~ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] 74 | double over_fourpi; | ^~~~~~~~~~~ Compiling qmmm_parse.c... qmmm_parse.c: In function 'qmmm_parse_': qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 93 | int argc; | ^~~~ qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; | ^~~~~~~ Compiling get_word.c... get_word.c: In function 'get_line': get_word.c:33:8: warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] 33 | if (c=='\n') | ^ get_word.c:28:11: note: 'c' was declared here 28 | int c,i; | ^ Compiling name.c... Compiling loggrid.c... Compiling pred_cor.c... Compiling spline.c... Compiling grids.c... grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 142 | printf(" address: %lx\n", grid); | ~~^ ~~~~ | | | | | double * | long unsigned int grids.c:147:23: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 147 | printf("%lx ", cur->grid); | ~~^ ~~~~~~~~~ | | | | | double * | long unsigned int Compiling atom.c... atom.c: In function 'solve_Atom': atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] 314 | int it, converged, sz; | ^~ atom.c: In function 'solve_Scattering_State_Atom': atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] 546 | int st; | ^~ atom.c: In function 'print_Atom': atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] 640 | int i, st; | ^~ Compiling schrodin.c... schrodin.c: In function 'R_Schrodinger': schrodin.c:249:5: warning: 'de' may be used uninitialized [-Wmaybe-uninitialized] 249 | printf("R_Schrodinger: More than %d iterations, Eig=%le, de=%le\n",Max_Iterations,E,de); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ schrodin.c:46:16: note: 'de' was declared here 46 | double E, de, | ^~ Compiling pauli.c... pauli.c: In function 'R_Pauli_Fixed_E': pauli.c:365:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 365 | node, | ^~~~ Compiling dirac.c... dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] 43 | L2, L0, | ^~ dirac.c: In function 'R_Dirac_Fixed_E': dirac.c:319:33: warning: unused variable 'L0' [-Wunused-variable] 319 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ dirac.c: In function 'R_Dirac_FixedLogDeriv': dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^~~~~ dirac.c:459:10: warning: unused variable 'a' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^ dirac.c:457:9: warning: unused variable 'L0' [-Wunused-variable] 457 | L2, L0, | ^~ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] 449 | int i, j, iteration, node, Ninf, Ngrid; | ^~~~ Compiling zora.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] 45 | L2, L0, | ^~ zora.c: In function 'R_ZORA_Fixed_E': zora.c:321:33: warning: unused variable 'L0' [-Wunused-variable] 321 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ Compiling dft.c... dft.c: In function 'R_Screening_Cut': dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] 140 | int k,NN,n0,n1=0; | ^~ dft.c:162:14: warning: 'v0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:21: note: 'v0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ dft.c:162:22: warning: 'r0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:11: note: 'r0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ Compiling hartree.c... Compiling dirac_exchange.c... Compiling perdew_wang.c... perdew_wang.c: In function 'R_Perdew_Wang': perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 46 | double sevensixth; | ^~~~~~~~~~ perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 45 | double onesixth; | ^~~~~~~~ Compiling perdew_zunger.c... perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 56 | double two_to_onethird; | ^~~~~~~~~~~~~~~ perdew_zunger.c:55:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~~ Compiling vosko.c... vosko.c: In function 'R_Vosko': vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 86 | double two_to_onethird; | ^~~~~~~~~~~~~~~ vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~ vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~~ Compiling pbe_exchange.c... pbe_exchange.c: In function 'R_PBE96_Exchange': pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling pbe_correlation.c... pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 50 | double sevensixth; | ^~~~~~~~~~ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 49 | double onesixth; | ^~~~~~~~ Compiling revpbe_exchange.c... revpbe_exchange.c: In function 'R_revPBE_Exchange': revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling revpbe_correlation.c... revpbe_correlation.c: In function 'R_revPBE_Correlation': revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 52 | double sevensixth; | ^~~~~~~~~~ revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 51 | double onesixth; | ^~~~~~~~ Compiling becke_exchange.c... becke_exchange.c: In function 'R_Becke_Exchange': becke_exchange.c:61:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] 61 | double *G2dr; | ^~~~ becke_exchange.c:59:13: warning: variable 'G2' set but not used [-Wunused-but-set-variable] 59 | double *G2; | ^~ becke_exchange.c:39:41: warning: unused variable 'two_onethird' [-Wunused-variable] 39 | double rho_fourthirds,rho_onethird, two_onethird; | ^~~~~~~~~~~~ becke_exchange.c:37:24: warning: unused variable 'z1' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:21: warning: unused variable 'z2' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:18: warning: unused variable 'z3' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:15: warning: unused variable 'z4' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:12: warning: unused variable 'z5' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:36:21: warning: unused variable 'ddamp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~~ becke_exchange.c:36:16: warning: unused variable 'damp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~ becke_exchange.c:35:12: warning: unused variable 'norm' [-Wunused-variable] 35 | double norm; | ^~~~ Compiling lyp_correlation.c... lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] 37 | double norm; | ^~~~ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] 27 | double smallnumber; | ^~~~~~~~~~~ Compiling hamann.c... hamann.c: In function 'solve_Hamann': hamann.c:455:5: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 455 | R_Screening_Cut(Vc); | ^~~~~~~~~~~~~~~~~~~ hamann.c:209:23: note: 'w1l_prime' was declared here 209 | double *w1l,*w1l_prime, | ^~~~~~~~~ Compiling troullier.c... troullier.c: In function 'solve_Troullier': troullier.c:191:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 191 | double al,amesh,rmax,Zion; | ^~~~~ Compiling xpansion.c... xpansion.c: In function 'get_c0_c10': xpansion.c:341:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 341 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:281:12: note: 'ddelta' was declared here 281 | double ddelta; | ^~~~~~ xpansion.c: In function 'get_c0_c12': xpansion.c:434:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 434 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:376:12: note: 'ddelta' was declared here 376 | double ddelta; | ^~~~~~ Compiling gaussj.c... gaussj.c: In function 'gaussj': gaussj.c:78:18: warning: 'irow' may be used uninitialized [-Wmaybe-uninitialized] 78 | indxr[i] = irow; | ~~~~~~~~~^~~~~~ gaussj.c:27:14: note: 'irow' was declared here 27 | int icol,irow; | ^~~~ gaussj.c:93:16: warning: 'icol' may be used uninitialized [-Wmaybe-uninitialized] 93 | if (ll != icol) | ^ gaussj.c:27:9: note: 'icol' was declared here 27 | int icol,irow; | ^~~~ Compiling vanderbilt.c... vanderbilt.c: In function 'solve_Vanderbilt': vanderbilt.c:209:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 209 | double al,amesh,Zion; | ^~~~~ Compiling xpansion2.c... xpansion2.c: In function 'dp_xpansion2': xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] 61 | double r1,r2,r3,r5,r7,r9,r11; | ^~~ xpansion2.c: In function 'ddp_xpansion2': xpansion2.c:89:27: warning: variable 'r10' set but not used [-Wunused-but-set-variable] 89 | double r1,r2,r4,r6,r8,r10; | ^~~ xpansion2.c: In function 'dddp_xpansion2': xpansion2.c:115:27: warning: variable 'r9' set but not used [-Wunused-but-set-variable] 115 | double r1,r2,r3,r5,r7,r9; | ^~ xpansion2.c: In function 'ddddp_xpansion2': xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] 139 | double r1,r2,r4,r6,r8; | ^~ Compiling psp1d.c... Compiling generate_rho_semicore.c... Compiling debug.c... Compiling rhamann.c... rhamann.c: In function 'Suggested_Param_RelHamann': rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] 50 | int p, npsps, itmp; | ^~~~ rhamann.c: In function 'solve_RelHamann': rhamann.c:423:3: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 423 | R_Correlation_DFT (f, Vc, &ec, &pc); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ rhamann.c:193:17: note: 'w1l_prime' was declared here 193 | double *w1l, *w1l_prime, *w2l, *w2l_prime; | ^~~~~~~~~ Compiling rtroullier.c... rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 173 | double al, amesh, rmax, Zion; | ^~~~~ Compiling rpsp.c... rpsp.c: In function 'init_RelPsp': rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] 76 | char *w, *tc; | ^~ rpsp.c:73:14: warning: unused variable 'p2' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c: At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ Making all in paw_atom make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' Compiling paw_atom_driver.c... paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] 116 | char *full_filename = (char *) malloc(m9+25+5); | ^~~~~~~~~~~~~ paw_atom_driver.c:103:14: warning: unused variable 'argc' [-Wunused-variable] 103 | int argc; | ^~~~ paw_atom_driver.c:102:14: warning: unused variable 'comment' [-Wunused-variable] 102 | char comment[255]; | ^~~~~~~ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] 100 | FILE *fp; | ^~ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] 99 | char *w,*tc; | ^~ paw_atom_driver.c:99:13: warning: unused variable 'w' [-Wunused-variable] 99 | char *w,*tc; | ^ paw_atom_driver.c:96:32: warning: unused variable 'pi' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~ paw_atom_driver.c:96:26: warning: unused variable 'qchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:95:35: warning: unused variable 'e999' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~ paw_atom_driver.c:95:31: warning: unused variable 'e99' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~ paw_atom_driver.c:95:21: warning: unused variable 'rcore' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~ paw_atom_driver.c:95:14: warning: unused variable 'r2well' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~~ paw_atom_driver.c:94:29: warning: unused variable 'pspxc' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~ paw_atom_driver.c:94:21: warning: unused variable 'pspcode' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~~ paw_atom_driver.c:94:14: warning: unused variable 'pspdat' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~ paw_atom_driver.c:93:14: warning: unused variable 'n' [-Wunused-variable] 93 | int n[10]; | ^ paw_atom_driver.c:92:17: warning: unused variable 'xx' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:92:14: warning: unused variable 'r0' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:91:24: warning: unused variable 'lmaxp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~~ paw_atom_driver.c:91:19: warning: unused variable 'locp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:91:14: warning: unused variable 'lmax' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:89:18: warning: unused variable 'rmax' [-Wunused-variable] 89 | double drl,rmax; | ^~~~ paw_atom_driver.c:89:14: warning: unused variable 'drl' [-Wunused-variable] 89 | double drl,rmax; | ^~~ paw_atom_driver.c:88:7: warning: unused variable 'pspl' [-Wunused-variable] 88 | **pspl; | ^~~~ paw_atom_driver.c:87:7: warning: unused variable 'psil' [-Wunused-variable] 87 | **psil, | ^~~~ paw_atom_driver.c:86:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ paw_atom_driver.c:86:56: warning: unused variable 'sc_drho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:37: warning: unused variable 'sc_rho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ paw_atom_driver.c:86:30: warning: unused variable 'tmp2' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ paw_atom_driver.c:86:24: warning: unused variable 'tmp' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ paw_atom_driver.c:86:19: warning: unused variable 'rl' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ paw_atom_driver.c:85:27: warning: unused variable 'psp' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:22: warning: unused variable 'psi' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:15: warning: unused variable 'rgrid' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~~~ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~~~ paw_atom_driver.c:83:22: warning: unused variable 'p1' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^~ paw_atom_driver.c:83:20: warning: unused variable 'p' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:18: warning: unused variable 'l' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:16: warning: unused variable 'k' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:14: warning: unused variable 'i' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:82:15: warning: unused variable 'nl' [-Wunused-variable] 82 | int *nl; | ^~ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] 80 | double over_fourpi; | ^~~~~~~~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~ paw_atom_driver.c:79:14: warning: unused variable 'zatom' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~~ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 76 | double rlocal_out; | ^~~~~~~~~~ paw_atom_driver.c:75:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ paw_atom_driver.c:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ Compiling paw_atom.c... paw_atom.c: In function 'paw_init_paw_atom': paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 316 | double *rgrid; | ^~~~~ Compiling paw_basis.c... paw_basis.c: In function 'paw_init_paw_basis': paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 116 | double *rgrid; | ^~~~~ paw_basis.c: In function 'paw_generate_projectors_vanderbilt': paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 645 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_generate_projectors_blochl': paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] 854 | double **test_matrix; | ^~~~~~~~~~~ paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 843 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_scattering_test': paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 1453 | int Ngrid; | ^~~~~ paw_basis.c: In function 'paw_print_basis_to_file': paw_basis.c:1217:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1217:27: note: assuming directive output of 8 bytes 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1217:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_test_to_file': paw_basis.c:1299:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1299:27: note: assuming directive output of 8 bytes 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1299:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_scattering.c... paw_scattering.c: In function 'paw_solve_paw_scattering': paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 110 | int Ngrid; | ^~~~~ Compiling paw_schrodin.c... Compiling paw_pauli.c... paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': paw_pauli.c:356:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 356 | node, | ^~~~ Compiling paw_orbitals.c... paw_orbitals.c: In function 'paw_solve_scattering_orbitals': paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 453 | double *rgrid; | ^~~~~ paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:683:23: note: assuming directive output of 8 bytes 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:683:9: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:691:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:691:27: note: assuming directive output of 8 bytes 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:691:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:729:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:729:27: note: assuming directive output of 8 bytes 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_kinetic_energy.c... Compiling paw_potential.c... paw_potential.c: In function 'paw_print_paw_potential_to_file': paw_potential.c:649:9: warning: pointer 'fp' used after 'fclose' [-Wuse-after-free] 649 | fclose(fp); | ^~~~~~~~~~ paw_potential.c:647:9: note: call to 'fclose' here 647 | fclose(fp); | ^~~~~~~~~~ Compiling paw_dirac_exchange.c... Compiling paw_vosko.c... Compiling paw_hartree.c... Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... Compiling paw_matrix_elements.c... Compiling paw_pred_cor.c... Compiling paw_loggrid.c... Compiling paw_bisect.c... Compiling paw_error_function.c... Compiling paw_get_inverse.c... Compiling paw_my_constants.c... Compiling paw_utilities.c... Compiling paw_output.c... paw_output.c: In function 'paw_generate_basis_file': paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] 39 | double** psi_ps0; | ^~~~~~~ paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] 26 | double tmp; | ^~~ Compiling paw_sdir.c... Compiling paw_my_memory.c... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Making all in utilities make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... Compiling nwpw_list.F... Compiling nwpw_scf_mixing.F... Compiling nwpw_spline.F... Compiling nwpw_interp.F... Compiling kerker_G.F... Compiling cpmd_properties.F... cpmd_properties.F:163:36: 31 | if (.not.btdb_get(rtdb,'nwpw:cpmd_properties',mt_log,1,doit)) | 2 ...... 163 | > mt_dbl,9,unita)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_rdf.F... Compiling pair_dist.F... Compiling pair_dist2.F... Compiling pair_distab.F... pair_distab.F:61:43: 60 | call Parallel_Brdcst_values(MASTER,1,volume) | 2 61 | call Parallel_Brdcst_values(MASTER,9,unita) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling auto_corr.F... Compiling generate_unfolded_xyz.F... Compiling matrix.f... Compiling simp.F... Compiling is_sORd.F... Compiling psi_filefind.F... Compiling v_psi_filefind.F... Compiling getfilling.F... Compiling CIF_write.F... Compiling densityofstates.F... Compiling MOTION_nframes.F... Compiling spdf_name.F... Compiling cell.F... Compiling cellgeometry.F... Compiling cpsi_data.F... cpsi_data.F:529:36: 286 | call ycopy(nsize,psi,1,dbl_mb(shift),1) | 2 ...... 529 | call ycopy(nbrill*neall*nsize,0.0d0,0,dbl_mb(indx1),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_data.F... Compiling butter.F... Compiling print_elapsed_time.F... Compiling log_integrate.F... Compiling nwpw_parse.F... Compiling nwpw_matrix_invert.F... Compiling analysis_expansion_coef.F... analysis_expansion_coef.F:70:49: 65 | if (.not. btdb_put(rtdb,id,mt_int,1,lorb)) | 2 ...... 70 | if (.not. btdb_put(rtdb,id,mt_dbl,(lorb+1),b0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling nwpw_double_factorial.F... Compiling nwpw_kbpp_ray.F... Compiling nwpw_talker.c... nwpw_talker.c: In function 'nwpw_talker_': nwpw_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; | ^~~~~~~ nwpw_talker.c: In function 'nwpw_listener_': nwpw_talker.c:250:19: warning: variable 'valread' set but not used [-Wunused-but-set-variable] 250 | int sock = 0, valread; | ^~~~~~~ Compiling nwpw_expression.F... nwpw_expression.F:79:60: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 79 | value = value.and.btdb_put(rtdb,rtdb_name,mt_int,5*nc,code) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpw_expression.F:82:58: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 82 | value = value.and.btdb_put(rtdb,rtdb_name,mt_dbl,nf,fconst) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_expression.F:143:48: 63 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nemach)) nemach = 0 | 2 ...... 143 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,started)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling nwpw_emachine.c... nwpw_emachine.c: In function 'nwpw_gencode': nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~~ nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine': nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_fmachine': nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine_parse_': nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] 971 | int i; | ^ Compiling BA_memory.F... Compiling btdb.F... Compiling beom.F... Compiling task_paulsmatrix.F... Compiling nwpw_cosmo.F... nwpw_cosmo.F:49:50: 49 | if (.not.btdb_get(rtdb,'slv:cosmo',mt_log,1,cosmo_on)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). nwpw_cosmo.F:86:57: 86 | if (.not.btdb_get(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) gcds = 0.0d0 | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:88:56: 88 | if (.not.btdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:134:34: 134 | > mt_dbl,1,qthresh)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:144:34: 144 | > mt_dbl,1,qalpha)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:180:61: 180 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:182:61: 182 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qelc',mt_dbl,1,Qelc)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:256:58: 254 | value = btdb_put(rtdb,'nwpw_cosmo:Qt',mt_log,1,(Qt.and.Qt0)) | 2 255 | value = value.and. 256 | > btdb_put(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_born.F... nwpw_born.F:156:60: 148 | if (.not.btdb_get(rtdb,'nwpw:born_relax',mt_log,1,born_relax)) | 2 ...... 156 | if (.not.btdb_get(rtdb,'nwpw:born_dielec',mt_dbl,1,dielec)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_cdft.F... nwpw_cdft.F:65:32: 51 | if (.not.btdb_get(rtdb,'nwpw:cdft',mt_log,1,cdft_on)) | 2 ...... 65 | > nion,dbl_mb(qcdft(1)))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_fftpack3d.F... nwpw_fftpack3d.F:246:21: 50 | call dcffti(nz,tmp(tz)) | 2 ...... 246 | call dcffti(nz,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:23: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:37: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:24: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:28: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:24: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:28: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making all in paw_utilities make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_gaunt.F... Compiling nwpw_compcharge.F... nwpw_compcharge.F:1606:55: 974 | > dbl_mb(tmp(1))) | 2 ...... 1606 | call Parallel_shared_vector_zero(.true.,2*npack0,v_smooth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:2098:34: 754 | call ycopy(nray,0.0d0,0,vlray,1) | 2 ...... 2098 | call ycopy(2*npack0,0.0d0,0,dng_smooth,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:4276:72: 4276 | call ycopy(3*nion_paw,0.0d0,0,dbl_mb(fmult(1))) | 1 Warning: Missing actual argument for argument '_formal_74' at (1) nwpw_compcharge.F:1264:72: 1264 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:22: 1136 | integer Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:1262:72: 1262 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:19: 1136 | integer Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:1260:72: 1260 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:16: 1136 | integer Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4480:72: 4480 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:50: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4478:72: 4478 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:47: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4476:72: 4476 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:44: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4732:72: 4732 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:39: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4730:72: 4730 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:36: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4728:72: 4728 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:33: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:5440:72: 5440 | call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:50: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:5439:72: 5439 | call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:47: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:5438:72: 5438 | call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:44: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here Compiling nwpw_gintegrals3.F... nwpw_gintegrals3.F:96:72: 96 | tcount = tcount + nn | ^ Warning: 'nn' may be used uninitialized [-Wmaybe-uninitialized] nwpw_gintegrals3.F:19:25: 19 | integer tid,nthr,nn | ^ note: 'nn' was declared here Compiling nwpw_xc.F... Compiling nwpw_vosko.F... Compiling nwpw_gga.F... Compiling nwpw_SpecialKummer.F... Compiling nwpw_GaussBessel.F... Compiling nwpw_WGaussian.F... Compiling nwpw_gauss_weights.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making all in unitcell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Compiling simulation_cell_input.F... simulation_cell_input.F:411:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 411 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). simulation_cell_input.F:430:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 430 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,1,box_delta)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a simulation_cell_input.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Making all in brillouin_zone make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Compiling brillouin_zone_input.F... brillouin_zone_input.F:157:26: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 157 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). brillouin_zone_input.F:272:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 272 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) brillouin_zone_input.F:416:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 416 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling brillioun.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a brillouin_zone_input.o brillioun.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Making all in fractional make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Compiling fractional.F... Compiling frac_occ_input.F... frac_occ_input.F:126:26: 106 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,norbs)) | 2 ...... 126 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling frac_occ.F... frac_occ.F:54:26: 31 | if (.not. btdb_get(rtdb,rtdb_name,mt_int,1,num_states)) | 2 ...... 54 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Making all in linesearch make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Compiling linesearch.F... Compiling Order_Values.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a linesearch.o Order_Values.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Making all in timing make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Compiling nwpw_timing.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nwpw_timing.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Making all in ewald make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Compiling ewald.F... ewald.F:605:11: 605 | do i=ion_nion_qm(1)+1,ion_nion() | 1 Warning: More actual than formal arguments in procedure call at (1) ewald.F:955:52: 792 | > dcpl_mb(s(1))) | 2 ...... 955 | call Parallel_shared_vector_zero(.false.,nion,dbl_mb(fx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ewald.F:1179:39: 364 | call ycopy(3*enpack,0.0d0,0,dbl_mb(eG(1)),1) | 2 ...... 1179 | call ycopy((2*enpack),0.0d0,0,dcpl_mb(strf(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ewald.F:1127:23: 1127 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:1694:23: 1694 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:2255:23: 2255 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] Compiling ewald_strfac.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ewald.o ewald_strfac.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Making all in thermostats make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Compiling nose-hoover.F... nose-hoover.F:65:52: 62 | if (.not.btdb_get(rtdb,'cpmd:nose_restart',mt_log,1,nosers)) | 2 ...... 65 | if (.not.btdb_get(rtdb,'cpmd:Mchain',mt_int,1,Mchain)) Mchain = 1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nose-hoover.F:238:51: 237 | value = value.and.btdb_put(rtdb,'cpmd:eke0',mt_dbl,1,eke0_init) | 2 238 | > .and.btdb_put(rtdb,'cpmd:Mchain',mt_int,1,Mchain) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nose-hoover.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Making all in MetaDynamics make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Compiling metadynamics_input.F... metadynamics_input.F:272:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 272 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:280:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 280 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:286:34: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 286 | > nparammeta,dbl_mb(parammeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics_input.F:300:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 300 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:302:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 302 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:378:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 378 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:386:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 386 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:406:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 406 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:408:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 408 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:487:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 487 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:495:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 495 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:515:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 515 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:517:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 517 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:666:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 666 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:674:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 674 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:694:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 694 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 696 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:795:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 795 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:803:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 803 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:823:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 823 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:825:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 825 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:904:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 904 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:912:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 912 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:932:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 932 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:934:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 934 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1022:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1022 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1030:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1030 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1050:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1050 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1052:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1052 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1055:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1055 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1057:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1057 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1059:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1059 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1061:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1061 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1064:49: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1064 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1146:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1146 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1154:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1154 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1174:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1174 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1176:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1176 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1288:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1288 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1296:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1296 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1316:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1316 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1318:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1318 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1402:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1402 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1410:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1410 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1430:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1430 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1432:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1432 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1510:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1510 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1518:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1518 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1538:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1538 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1540:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1540 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1696 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1704:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1704 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1724:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1724 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1726:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1726 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1802:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1802 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1810:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1810 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1830:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1832:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1832 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1955:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1955 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1963:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1963 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1983:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1983 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1985:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1985 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2066:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2066 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2074:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2074 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2094:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2094 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2096:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2096 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling metadynamics_aux.F... metadynamics_aux.F:227:14: 227 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:229:14: 229 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:243:20: 243 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:255:17: 255 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:306:14: 306 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:308:14: 308 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:336:20: 336 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:368:17: 368 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) Compiling metadynamics.F... metadynamics.F:71:51: 44 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 71 | if (.not.btdb_get(rtdb,rtdb_name,mt_dbl,1,dTtempered)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics.F:648:41: 625 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 648 | > nxmeta_all,dbl_mb(ymeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Making all in TAMD make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Compiling tamd_input.F... tamd_input.F:195:47: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 195 | value = rtdb_put(rtdb,rtdb_name,mt_log,1,zfixed) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd_input.F:320:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 320 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:328:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 328 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:348:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 348 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:350:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 350 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:452:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 452 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:460:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 460 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:480:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 480 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:482:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 482 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:585:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 585 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:593:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 593 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:613:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 613 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:615:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 615 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:800:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 800 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:808:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 808 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:828:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 828 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:830:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:950:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 950 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:958:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 958 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:978:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 978 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:980:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 980 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1084:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1084 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1092:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1092 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1112:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1112 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1114:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1114 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1202:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1202 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1210:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1210 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1230:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1230 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1232:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1232 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1235:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1235 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1237:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1237 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1239:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1239 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1241:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1241 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1244:49: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1244 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1326:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1326 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1334:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1334 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1354:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1354 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1356:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1356 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1468:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1468 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1476:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1476 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1496:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1496 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1498:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1498 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1582:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1582 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1590:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1590 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1610:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1610 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1612:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1612 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1711:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1711 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1719:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1719 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1739:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1739 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1741:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1741 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1845:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1845 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1853:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1853 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1873:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1873 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1875:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1875 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2027:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2027 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2035:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2035 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2055:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2055 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2057:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2057 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2164:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2164 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2172:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2172 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2192:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2192 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2194:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2194 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tamd.F... tamd.F:66:51: 50 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 66 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,zfixed)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd.F:733:57: 707 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 733 | > btdb_put(rtdb,rtdb_name,mt_dbl,nmeta,ztamd) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tamd.F:2356:72: 2356 | do i=1,ndim | ^ Warning: 'ndim' may be used uninitialized [-Wmaybe-uninitialized] tamd.F:2272:26: 2272 | integer i,s1,s2,ndim,nparam,nindx,ntype,count,sindx(10),sparam(10) | ^ note: 'ndim' declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a tamd_input.o tamd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Making all in FMM make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Compiling fmm.F... fmm.F:378:46: 272 | call Parallel_Vector_SumAll(((lmax+1)**2)*(n*n*n),Mlm) | 2 ...... 378 | call Parallel_Vector_SumAll((lmax+1)**2,Llm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a fmm.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Making all in md_xs make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Compiling md_xs_input.F... md_xs_input.F:125:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 125 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_xs_input.F:183:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 183 | > rtdb_put(rtdb,rtdb_name,mt_int,2,isteps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_xs.F... md_xs.F:1116:30: 994 | call ycopy(2*nr,0.0d0,0,chi_r,1) | 2 ...... 1116 | call ycopy(nkf0,0.0d0,0,dbl_mb(tchi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). md_xs.F:127:36: 123 | > mt_dbl,1,temperature)) then | 2 ...... 127 | > mt_int,2,steps)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_xs.F:452:51: 450 | if (.not.btdb_get(rtdb,'md_xs:center',mt_int,1,center)) | 2 451 | > center = 1 452 | if (.not.btdb_get(rtdb,'md_xs:rmax',mt_dbl,1,rmax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_xs.F:277:18: 277 | else if (mc_algorithm.eq.2) then | ^ Warning: 'mc_algorithm' may be used uninitialized [-Wmaybe-uninitialized] md_xs.F:39:66: 39 | integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm | ^ note: 'mc_algorithm' was declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making all in FEFF6L make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' Compiling feff6Lib.F... feff6Lib.F:163:19: 163 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:9605:19: 9605 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:932:19: 932 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:12183:19: 12183 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:11719:19: 11719 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:1336:19: 1336 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, test, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:4014:19: 4014 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a feff6Lib.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a md_xs_input.o md_xs.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making all in nwpwxc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... Compiling nwpwxc_nwchem.F... nwpwxc_nwchem.F:256:33: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 256 | > nwpwxc_cam_alpha) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpwxc_nwchem.F:292:46: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 292 | + nwpwxc_num_f,nwpwxc_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:295:48: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 295 | + nwpwxc_usr_num,nwpwxc_usr_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:366:56: 320 | if (rtdb_get(rtdb,'int:cando_txs',mt_log,1,junk)) then | 2 ...... 366 | status=status.and.rtdb_get(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpwxc_vdw3d.F... make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... Compiling nwpwxc_x_ft97.F... Compiling nwpwxc_x_m05.F... Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... Compiling nwpwxc_x_opt.F... Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... Compiling nwpwxc_x_sogga.F... Compiling nwpwxc_x_tpss03.F... Compiling nwpwxc_x_wpbe.F... Compiling nwpwxc_x_vs98.F... Compiling nwpwxc_c_b95.F... Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... Compiling nwpwxc_c_m05.F... Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... Compiling nwpwxc_c_p91_vwn5.F... Compiling nwpwxc_c_pw91lda.F... Compiling nwpwxc_c_sogga.F... Compiling nwpwxc_c_pbe.F... Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... Compiling nwpwxc_c_tpss03.F... nwpwxc_c_tpss03.F:463:72: 463 | en = pbe*(1.d0 + ccc*xx2) | ^ Warning: 'ccc' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_c_tpss03.F:104:32: 104 | double precision zeta, ccc | ^ note: 'ccc' was declared here Compiling nwpwxc_c_vs98.F... Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... Compiling nwpwxc_c_vwn1_rpa.F... Compiling nwpwxc_c_vwn2.F... Compiling nwpwxc_c_vwn3.F... Compiling nwpwxc_c_vwn4.F... Compiling nwpwxc_c_vwn5.F... Compiling nwpwxc_c_op.F... Compiling nwpwxc_cs00.F... Compiling nwpwxc_vdw3b.F... nwpwxc_vdw3b.F:1333:6: 1333 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) | ^ Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] nwpwxc_vdw3b.F:1109:23: 1109 | integer i,j,nn,nl | ^ Warning: 'nl' may be used uninitialized [-Wmaybe-uninitialized] Compiling nwpwxc_vdw3c.F... nwpwxc_vdw3c.F:3035:31: 3035 | subroutine nwpwxc_split(str,delims,before,sep) | 1 Warning: Interface mismatch in global procedure 'nwpwxc_split' at (1): INTENT mismatch in argument 'sep' nwpwxc_vdw3c.F:509:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 509 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:612:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 612 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1311:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1311 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1312:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1312 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1736:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1736 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6save,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1738:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1738 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2381:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2381 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:2382:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2382 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,drijsize,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-4) nwpwxc_vdw3c.F:2440:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2440 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2483:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2483 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1082:53: 1082 | real*8, allocatable,dimension(:,:,:,:) :: drij !d(E)/d(r_ij) derivative wrt. dist. iat-jat | ^ Warning: 'drij.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.offset' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2723:72: 2723 | edisp=-(e6+e8) | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2581:24: 2581 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here Compiling nwpwxcP_xc_b97.c... nwpwxcP_xc_b97.c: In function 'nwpwxcp_c_b97_': nwpwxcP_xc_b97.c:551:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:551:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:741:61: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 741 | FC[ _FXC_RAGAA ] = ScalGGAC*(0.0 + Gec_a0_ra*Ggc_aa_gaa + 0.0 + ec_a0*Ggc_aa_ragaa + 0.0 + Gec_ab_ra*Ggc_ab_gaa + 0.0 + ec_ab*Ggc_ab_ragaa); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ nwpwxcP_xc_b97.c:552:10: note: 'Gec_a0_ra' was declared here 552 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ nwpwxcP_xc_b97.c:743:61: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 743 | FC[ _FXC_RBGBB ] = ScalGGAC*(0.0 + Gec_b0_rb*Ggc_bb_gbb + 0.0 + ec_b0*Ggc_bb_rbgbb + 0.0 + Gec_ab_rb*Ggc_ab_gbb + 0.0 + ec_ab*Ggc_ab_rbgbb); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ nwpwxcP_xc_b97.c:553:10: note: 'Gec_b0_rb' was declared here 553 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ Compiling nwpwxc_x_b97.F... Compiling nwpwxc_c_b97.F... Compiling nwpwxc_xc_kt1.F... Compiling nwpwxc_c_spbe.F... Compiling nwpwxc_x_ssbD_1.F... Compiling nwpwxc_c_perdew81.F... Compiling nwpwxc_c_perdew86.F... Compiling nwpwxc_x_pw91.F... Compiling nwpwxc_x_pw6.F... Compiling nwpwxc_x_b86b.F... Compiling nwpwxc_x_scan.F... Compiling nwpwxc_c_scan.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making all in libraryps make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Compiling nwpw_library.F... nwpw_library.F:156:72: 156 | k_lgth=sqptr_r-sqptr_l-1 | ^ Warning: 'sqptr_r' may be used uninitialized [-Wmaybe-uninitialized] nwpw_library.F:116:38: 116 | integer l_lgth,i,sqptr_l,sqptr_r,k_lgth | ^ note: 'sqptr_r' was declared here Compiling nwpw_libfile.F... Compiling nwpw_set_library.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Making all in pspw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Compiling task_pspw.F... Making all in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making all in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Compiling dipole.F... Compiling dipole_efield.F... Compiling orthocheck.f... Compiling psi.F... psi.F:5852:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5852 | > dcpl_mb(psi2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:5853:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5853 | > dcpl_mb(psi1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:1151:43: 1151 | call Pack_c_Copy(1,dcpl_mb(psig_ptr),dbl_mb(psig_r(1))) | 1 ...... 12122 | call Pack_c_Copy(1,dcpl_mb(psii_ptr),orbi) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:1183:72: 1183 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1202:72: 1202 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1234:72: 1234 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1259:72: 1259 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1338:72: 1338 | > maxerror) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:3010:72: 3010 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3033:72: 3033 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,hpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3138:33: 1152 | call Pack_c_unpack(1,dbl_mb(psig_r(1))) | 2 ...... 3138 | call Pack_c_unpack(0,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3139:33: 1153 | call D3dB_cr_fft3b(1,dbl_mb(psig_r(1))) | 2 ...... 3139 | call D3dB_cr_fft3b(1,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3253:28: 3140 | call D3dB_r_Copy(1,vcc,vcgg) | 2 ...... 3253 | call D3dB_r_Copy(1,vcee,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3260:45: 3165 | call D3dB_rr_daxpy(1,-0.5d0,vcc,vcge) | 2 ...... 3260 | call D3dB_rr_daxpy(1,(-2.0d0*c1*c2),vctmp,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3363:31: 3363 | call Pack_c_SMul(1,scal1,vc,dEdpsie) | 1 ...... 5048 | > dcpl_mb(psi_ptr+(i-1)*npack1), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:2216:72: 2216 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2277:72: 2277 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2323:28: 2323 | call D3dB_c_Copy(1,vcc,vcee) | 1 ...... 3028 | call D3dB_c_Copy(1,psihomo_r,psig_r) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3456:72: 3456 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3457:72: 3457 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2563:72: 2563 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2564:72: 2564 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1940:72: 1940 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,dEdpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1941:72: 1941 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3717:42: 3717 | > dbl_mb(v_field(1))) | 1 ...... 4333 | > 2*npack1,dcpl_mb(etmp(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:6628:42: 4492 | > dcpl_mb(psi1(1) +(i-1)*npack1), | 2 ...... 6628 | call Pack_cc_dot(0,dcpl_mb(dng1(1)),dbl_mb(vltmp(1)),elocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:21: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:39: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:11404:50: 10499 | > mt_log,1,psi_nogrid)) | 2 ...... 11404 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). psi.F:11982:38: 3133 | call D3dB_r_SMul1(1,scal1,rhogg) | 2 ...... 11982 | call D3dB_r_SMul1(1,scal2,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:28: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:45: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11990:33: 3134 | call D3dB_rc_fft3f(1,rhogg) | 2 ...... 11990 | call D3dB_rc_fft3f(1,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11991:31: 3135 | call Pack_c_pack(0,rhogg) | 2 ...... 11991 | call Pack_c_pack(0,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11993:27: 3137 | call coulomb_v(rhogg,vcc) | 2 ...... 11993 | call coulomb_v(dcpl_mb(dnij(1)),dcpl_mb(vhij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11997:36: 3162 | call coulomb_screened_v(rhoge,vcc) | 2 ...... 11997 | call coulomb_screened_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:34: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:51: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:10902:72: 10902 | return | ^ Warning: '__result_psi_2epsi_gradients' is used uninitialized [-Wuninitialized] psi.F:10847:42: 10847 | logical function psi_2epsi_gradients(gn) | ^ note: '__result_psi_2epsi_gradients' was declared here psi.F:2954:27: 2954 | real*8 ehfx,phfx,Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] psi.F:2514:27: 2514 | real*8 ehfx,phfx,Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] Compiling psi_spin2.F... Compiling geodesic.F... Compiling geodesic2.F... Compiling Grassman.F... Grassman.F:805:21: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Grassman.F:805:29: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_dmatrix.F... psi_dmatrix.F:338:20: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 338 | call ycopy(nn,0.0d0,0,dbl_mb(v0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi_dmatrix.F:269:22: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 269 | call ycopy(np_i,0.0d0,0,dbl_mb(maxsum0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_read.F... psi_read.F:93:25: 92 | call iread(5,version,1) | 2 93 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:96:25: 92 | call iread(5,version,1) | 2 ...... 96 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:117:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 117 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:123:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 123 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:290:22: 92 | call iread(5,version,1) | 2 ...... 290 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:293:22: 92 | call iread(5,version,1) | 2 ...... 293 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:301:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 301 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:307:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 307 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:472:22: 92 | call iread(5,version,1) | 2 ...... 472 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:475:22: 92 | call iread(5,version,1) | 2 ...... 475 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:483:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 483 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:489:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 489 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:655:22: 92 | call iread(5,version,1) | 2 ...... 655 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:658:22: 92 | call iread(5,version,1) | 2 ...... 658 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:667:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 667 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:673:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 673 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_write.F... psi_write.F:105:26: 104 | call iwrite(6,version,1) | 2 105 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:108:26: 104 | call iwrite(6,version,1) | 2 ...... 108 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:264:26: 104 | call iwrite(6,version,1) | 2 ...... 264 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:267:26: 104 | call iwrite(6,version,1) | 2 ...... 267 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:425:26: 104 | call iwrite(6,version,1) | 2 ...... 425 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:428:26: 104 | call iwrite(6,version,1) | 2 ...... 428 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:583:26: 104 | call iwrite(6,version,1) | 2 ...... 583 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:586:26: 104 | call iwrite(6,version,1) | 2 ...... 586 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_write.F... rho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_read.F... rho_read.F:82:25: 81 | call iread(5,version,1) | 2 82 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_read.F:104:56: 95 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 104 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_read.F... v_psi_read.F:89:22: 88 | call iread(5,version,1) | 2 89 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:92:22: 88 | call iread(5,version,1) | 2 ...... 92 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:100:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 99 | msglen = 3 100 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:107:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 107 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_write.F... v_psi_write.F:101:26: 100 | call iwrite(6,version,1) | 2 101 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_write.F:104:26: 100 | call iwrite(6,version,1) | 2 ...... 104 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_new.F... psi_new.F:138:42: 134 | > 'nwpw:lcao_iterations',mt_int,1,lcao_iterations)) | 2 ...... 138 | > 'nwpw:lcao_print',mt_log,1,lcao_print)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling v_psi_new.F... Compiling psi_history.F... Compiling psi_write_filename.F... psi_write_filename.F:92:26: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:95:26: 91 | call iwrite(6,version,1) | 2 ...... 95 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:243:26: 91 | call iwrite(6,version,1) | 2 ...... 243 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:246:26: 91 | call iwrite(6,version,1) | 2 ...... 246 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_read_filename.F... psi_read_filename.F:76:22: 75 | call iread(5,version,1) | 2 76 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:79:22: 75 | call iread(5,version,1) | 2 ...... 79 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:87:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 86 | msglen = 3 87 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:93:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 93 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:235:25: 75 | call iread(5,version,1) | 2 ...... 235 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:238:25: 75 | call iread(5,version,1) | 2 ...... 238 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:259:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 259 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:265:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 265 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling polarizability.F... Compiling berry_phase_pol.F... Compiling rho_symmetrizer.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Making all in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Compiling psi_H.F... psi_H.F:113:42: 107 | > dbl_mb(Hpsi_r(1))) | 2 ...... 113 | > 2*nfft3d,dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_H.F:583:72: 583 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:555:31: 555 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here psi_H.F:755:72: 755 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:726:31: 726 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here Compiling psi_Hv4.F... psi_Hv4.F:112:39: 104 | > dbl_mb(Hpsi_r(1))) | 2 ...... 112 | > dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_Hv4.F:611:34: 608 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 2 ...... 611 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(vpsi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling electron.F... electron.F:2375:25: 2143 | call Pack_c_Copy(1,psi_k(1+(n-1)*npack1), | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2375:41: 2144 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:477:22: 477 | > dbl_mb(xce(1)), | 1 ...... 977 | > dcpl_mb(vc(1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2475:29: 2450 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 2475 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:2636:28: 1369 | > dcpl_mb(Hpsi_k(1)), | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2636:44: 1370 | > Hpsi_k_new) | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2775:51: 2200 | call Parallel_shared_vector_zero(.true.,2*n2ft3d,dn) | 2 ...... 2775 | > 2*npack0,dcpl_mb(vc(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a psi_H.o psi_Hv4.o electron.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Making all in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Compiling ke.F... ke.F:476:72: 476 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) ke.F:557:72: 557 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ke.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Making all in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Compiling coulomb.F... Compiling coulomb2.F... coulomb2.F:399:27: 285 | call D3dB_rc_fft3f(2,dbl_mb(glr(1))) | 2 ...... 399 | call D3dB_rc_fft3f(2,dcpl_mb(tmpx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling coulomb_screened.F... coulomb_screened.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened.F:801:72: 801 | call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) | 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) coulomb_screened.F:1051:24: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 1051 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb_screened.F:1080:32: 149 | call D3dB_r_SMul1(1,scal1,dcpl_mb(gk(1))) | 2 ...... 1080 | call D3dB_r_SMul1(1,scal1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling coulomb_screened_small.F... coulomb_screened_small.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened_small.F:521:25: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). coulomb_screened_small.F:521:29: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:25: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:42: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:60: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). Compiling coulomb_filter.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Making all in exchange-correlation make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Compiling v_bwexc_all.F... Compiling v_exc.F... Compiling v_dirac.F... Compiling v_mexc.F... Compiling v_bwexc.F... v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:85:72: 85 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fdn' declared here v_bwexc.F:324:72: 324 | rhoup(1) = grad(1) | ^ Warning: 'grad' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:41:30: 41 | integer grad(2) | ^ note: 'grad' declared here v_bwexc.F:328:72: 328 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here Compiling v_bwexc_euv.F... v_bwexc_euv.F:94:72: 94 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2),xce(2) | ^ note: 'fdn' declared here v_bwexc_euv.F:394:72: 394 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here Compiling nwpw_meta_gga.F... nwpw_meta_gga.F:163:39: 45 | > dbl_mb(dfdtau(1))) | 2 ...... 163 | > dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_meta_gga.F:290:36: 190 | call D3dB_r_Zero_Ends(1,dbl_mb(tau(1)+(ms-1)*n2ft3d)) | 2 ...... 290 | call D3dB_r_Zero_Ends(1,dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pbe96.f... Compiling pbesol.f... Compiling revpbe.f... Compiling blyp.f... Compiling b3lyp.F... Compiling bnl2007_x.F... Compiling hsepbe.F... Compiling beef_gga.f... Compiling pw92c.f... Compiling vs98.f... Compiling tpss03.f... Compiling scan.f... Compiling r2scan.f... Compiling pw91c.f... Compiling pbe96x.f... Compiling pbe96c.f... Compiling m06.f... Compiling m06-l.f... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making all in vdw-DF make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[6]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling vdw-DF.F... vdw-DF.F:609:43: 609 | call D1dB_Vector_SumAll(2*Nqs*nfft3d,ufunc) | 1 ...... 683 | call D1dB_Vector_SumAll(n2ft3d,tmpexc) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'theta' at (1); passed REAL(8) to COMPLEX(8) vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'ufunc' at (1); passed REAL(8) to COMPLEX(8) Compiling vdw_DF_kernel.F... Compiling vdw_DF_get_qmesh_filename.F... make[6]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[6]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[6]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making all in sic make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Compiling pspw_sic.F... pspw_sic.F:92:37: 34 | if (.not.btdb_get(rtdb,'pspw:SIC_all',mt_log,1,sicall)) | 2 ...... 92 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_sic.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Making all in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Compiling pspw_hfx.F... pspw_hfx.F:99:37: 46 | if (.not.btdb_get(rtdb,'pspw:HFX',mt_log,1,hfx_on)) | 2 ...... 99 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling pspw_shfx.F... pspw_shfx.F:946:72: 946 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:948:72: 948 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:950:72: 950 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:952:72: 952 | > real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:993:35: 993 | call D3dBs_r_SMul1(1,hfx_parameter,real_mb(vij(1))) | 1 ...... 1530 | call D3dBs_r_SMul1(1,scal2,real_mb(dn(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:795:72: 795 | > 2*n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:797:72: 797 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:403:72: 403 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:405:72: 405 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:407:72: 407 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:409:72: 409 | > n2ft3d,real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1106:72: 1106 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1108:72: 1108 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1110:72: 1110 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:39:72: 39 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:121:72: 121 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:182:72: 182 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:258:72: 258 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:260:72: 260 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:262:72: 262 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1367:72: 1367 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_114' at (1) pspw_shfx.F:1373:23: 103 | > Hpsi_r(1+(ms-1)*neq(1)*n2ft3d),1) | 2 ...... 1373 | > Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'orb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'horb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1418:72: 1418 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1420:72: 1420 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) Compiling pspw_hfx_localized.F... pspw_hfx_localized.F:306:23: 296 | > psi_r,1, | 2 ...... 306 | > psi1,1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_hfx_localized.F:481:36: 296 | > psi_r,1, | 2 ...... 481 | call ycopy(3*(ne(1)+ne(2)),0.0d0,0,dbl_mb(rwav(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_hfx_localized.F:727:53: 293 | call Dneall_mm_transpose(0,dbl_mb(rotmat21(1)),dcpl_mb(A(1))) | 2 ...... 727 | call Dneall_mm_transpose(0,dbl_mb(tmat1(1)),dbl_mb(tmat2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:732:36: 300 | > dcpl_mb(A(1)),1.0d0, | 2 ...... 732 | > dbl_mb(tmat2(1)), 1.0d0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:131:72: 131 | xx=xx+bmat(j,1)*ixmat(j,i) | ^ Warning: 'ixmat' is used uninitialized [-Wuninitialized] pspw_hfx_localized.F:75:28: 75 | real*8 b(3),ixmat(3,6) | ^ note: 'ixmat' declared here make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Making all in ion make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Compiling ion_ion.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ion_ion.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Making all in psp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Compiling MOTION.F... Compiling psp.F... psp.F:4339:22: 4337 | call iread(5,psp_type,1) | 2 4338 | call iread(5,version,1) 4339 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4342:22: 4340 | call dread(5,unita,9) | 2 4341 | call cread(5,atom,2) 4342 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4343:22: 4340 | call dread(5,unita,9) | 2 ...... 4343 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4353:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4353 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4354:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4354 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4355:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4355 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4356:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4356 | call iread(5,b_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4365:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4365 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4372:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4372 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4377:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4377 | call Parallela_Brdcst_values(com_p,MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4379:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4379 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4398:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4398 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4399:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4399 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4400:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4400 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4401:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4401 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,b_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4423:40: 4340 | call dread(5,unita,9) | 2 ...... 4423 | if (version.eq.4) call dread(5,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4424:22: 4340 | call dread(5,unita,9) | 2 ...... 4424 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4427:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4427 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rlocal) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4429:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4429 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4473:45: 4340 | call dread(5,unita,9) | 2 ...... 4473 | if (taskid_p.eq.MASTER) call dread(5,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4474:45: 4340 | call dread(5,unita,9) | 2 ...... 4474 | if (taskid_p.eq.MASTER) call dread(5,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4477:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4477 | > core_kin_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4479:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4479 | > core_ion_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4484:24: 4340 | call dread(5,unita,9) | 2 ...... 4484 | call dread(5,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4485:24: 4340 | call dread(5,unita,9) | 2 ...... 4485 | call dread(5,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4486:24: 4340 | call dread(5,unita,9) | 2 ...... 4486 | call dread(5,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4487:24: 4340 | call dread(5,unita,9) | 2 ...... 4487 | call dread(5,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4488:24: 4340 | call dread(5,unita,9) | 2 ...... 4488 | call dread(5,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4493:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4493 | call Parallela_Brdcst_values(com_p,MASTER,msglen,log_amesh) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4494:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4494 | call Parallela_Brdcst_values(com_p,MASTER,msglen,r1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4495:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4495 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rmax) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4496:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4496 | call Parallela_Brdcst_values(com_p,MASTER,msglen,sigma) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4497:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4497 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4515:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4515 | if (taskid_p.eq.MASTER) call iread(5,nae,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4516:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4516 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nae) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4518:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4518 | if (taskid_p.eq.MASTER) call iread(5,nps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4519:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4519 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4521:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4521 | if (taskid_p.eq.MASTER) call iread(5,lps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4522:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4522 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,lps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:1968:55: 1968 | call Parallel_shared_vector_zero(.true.,2*npack0,vl_out) | 1 ...... 3635 | call Parallel_shared_vector_zero(.true.,nn*nprj,sw2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2047:42: 1887 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_out) | 2 ...... 2047 | call D1dB_Vector_SumAll(2*npack0,vl_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2941:36: 218 | call ycopy(npsp*npack0, 0.0d0,0,dbl_mb(vl(1)), 1) | 2 ...... 2941 | call ycopy((2*npack0),0.0d0,0,dcpl_mb(vtmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:4812:72: 4812 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) psp.F:2037:72: 2037 | > dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here psp.F:2035:72: 2035 | > dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here psp.F:2033:72: 2033 | > dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[2]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[1]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[0]' was declared here Compiling psp_olddebug.F... psp_olddebug.F:231:72: 231 | > dbl_mb(sum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here psp_olddebug.F:229:72: 229 | > dbl_mb(sum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_olddebug.F:227:72: 227 | > dbl_mb(sum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here Compiling psp_cmp_dE_Qlm.F... Compiling paw.F... paw.F:379:72: 379 | > dbl_mb(psp_fmm_Mlm(1)),1) | 1 Warning: More actual than formal arguments in procedure call at (1) paw.F:591:56: 374 | call Parallel_shared_vector_zero(.true.,3*nion,dbl_mb(ftmp(1))) | 2 ...... 591 | call Parallel_shared_vector_zero(.false.,2*npack0,vl_paw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:287:56: 287 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_paw) | 1 ...... 642 | call D1dB_Vector_SumAll(2*npack0,vl_paw) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:1156:36: 856 | call ycopy(3*nion,0.0d0,0,dbl_mb(ftmp(1)),1) | 2 ...... 1156 | call ycopy((4*npack0),0.0d0,0,vlpaw_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:2928:50: 2863 | call nwpw_compcharge_gen_dn_cmp(ispin,dcpl_mb(dng_cmp(1))) | 2 ...... 2928 | call nwpw_compcharge_gen_dn_cmp(ispin,dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2931:25: 2865 | call v_local(dcpl_mb(vl1(1)), | 2 ...... 2931 | call v_local(dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2934:31: 2868 | call Pack_cc_dot(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2934 | call Pack_cc_dot(0,dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2935:31: 2869 | > dcpl_mb(vl1(1)),eh) | 2 ...... 2935 | > dbl_mb(vl1(1)),eh) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2961:35: 753 | call Pack_c_SMul1(0,lmbda,dcpl_mb(vtmp(1))) | 2 ...... 2961 | call Pack_c_SMul1(0,dv,dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2972:30: 2881 | call Pack_cc_Sum2(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2972 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2973:30: 2882 | > dcpl_mb(vl_notpaw(1))) | 2 ...... 2973 | > dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2979:45: 2884 | > dcpl_mb(dng_cmp(1)), | 2 ...... 2979 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2980:45: 2885 | > dcpl_mb(dng_cmp_smooth(1))) | 2 ...... 2980 | > dbl_mb(rho_cmp_smooth(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3149:53: 3068 | > dcpl_mb(vl1(1)), | 2 ...... 3149 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3184:50: 3085 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 3184 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3185:50: 3086 | > dcpl_mb(vl1(1)), | 2 ...... 3185 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4486:50: 4389 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 4486 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4487:50: 4390 | > dcpl_mb(vl1(1)), | 2 ...... 4487 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:1197:72: 1197 | call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here paw.F:1196:72: 1196 | call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here paw.F:1195:72: 1195 | call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here paw.F:3420:23: 3420 | real*8 wij,taunt | ^ Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] Compiling psp_stress.F... psp_stress.F:558:22: 557 | call iread(5,version,1) | 2 558 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:705:72: 705 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling semicore.F... semicore.F:549:32: 525 | call ycopy(nfft3d,dbl_mb(G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 549 | call ycopy(n2ft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). semicore.F:573:32: 573 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 ...... 773 | call Pack_c_unpack(0,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:575:32: 575 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 ...... 759 | call D3dB_cr_fft3b(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:255:31: 255 | call D3dB_rr_Sqr1(1,dcpl_mb(tmp(1))) | 1 ...... 781 | call D3dB_rr_Sqr1(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:348:30: 348 | call D3dB_r_dsum(1,dcpl_mb(tmp(1)),sum) | 1 ...... 762 | call D3dB_r_dsum(1,dbl_mb(tmp1(1)),ss) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:841:24: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). semicore.F:841:30: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:854:25: 772 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 2 ...... 854 | call Pack_c_pack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling semicore_force.F... Compiling psp_U.F... psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:398:72: 398 | > dbl_mb(asum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here psp_U.F:396:72: 396 | > dbl_mb(asum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_U.F:394:72: 394 | > dbl_mb(asum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here Compiling psp_ld.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Making all in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Compiling pspw_Grsm_list.F... Compiling pspw_lmbfgs.F... pspw_lmbfgs.F:91:36: 66 | call DSCAL_OMP(ngras,(-1.0d0),g,1) | 2 ...... 91 | call DSCAL_OMP(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:93:40: 30 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 93 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:111:25: 99 | > dbl_mb(ss(1)), | 2 ...... 111 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs.F:116:39: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:116:55: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs2.F... pspw_lmbfgs2.F:83:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 83 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:85:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 85 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:97:25: 91 | > dbl_mb(ss(1)), | 2 ...... 97 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs2.F:102:35: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:102:51: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs3.F... pspw_lmbfgs3.F:80:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 80 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs3.F:93:25: 86 | > dbl_mb(ss(1)), | 2 ...... 93 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_diis.F... pspw_diis.F:78:26: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 78 | call ycopy(max_list,d,1,c,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_diis.F:79:35: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 79 | call ycopy(max_list*max_list,B,1,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pspw_rmmdiis.F... pspw_rmmdiis.F:144:41: 66 | call yaxpy(ngras,lambda,residual0,1,psi,1) | 2 ...... 144 | call yaxpy(ngras, alpha(i),dbl_mb(ri(1)),1,psi_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_rmmdiis.F:149:25: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:149:33: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Making all in aorbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Compiling aorbs.F... aorbs.F:553:22: 552 | call iread(5,version,1) | 2 553 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:558:22: 554 | call dread(5,unita,9) | 2 ...... 558 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:559:22: 554 | call dread(5,unita,9) | 2 ...... 559 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:574:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 574 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:581:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 581 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:582:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 582 | call Parallela_Brdcst_values(com_p,MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:687:72: 687 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a aorbs.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Making all in truncating_function make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' Compiling truncating_function.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a truncating_function.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making all in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Compiling psp_formatter_input.F... psp_formatter_input.F:238:36: 192 | > mt_int,1,kbpp_number)) | 2 ...... 238 | > mt_dbl,1,rlocal)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling psp_formatter.F... psp_formatter.F:78:33: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 78 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_formatter.F:98:58: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 98 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psp_stress_formatter.F... psp_stress_formatter.F:79:33: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 79 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_stress_formatter.F:108:58: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 108 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pawppv1.F... pawppv1.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:426:23: 424 | call iwrite(2,psp_type,1) | 2 425 | call iwrite(2,version,1) 426 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:430:23: 427 | call dwrite(2,unita,9) | 2 ...... 430 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:431:23: 427 | call dwrite(2,unita,9) | 2 ...... 431 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:448:41: 427 | call dwrite(2,unita,9) | 2 ...... 448 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:450:23: 427 | call dwrite(2,unita,9) | 2 ...... 450 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:461:23: 427 | call dwrite(2,unita,9) | 2 ...... 461 | call dwrite(2,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:462:23: 427 | call dwrite(2,unita,9) | 2 ...... 462 | call dwrite(2,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:467:23: 427 | call dwrite(2,unita,9) | 2 ...... 467 | call dwrite(2,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:468:23: 427 | call dwrite(2,unita,9) | 2 ...... 468 | call dwrite(2,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:469:23: 427 | call dwrite(2,unita,9) | 2 ...... 469 | call dwrite(2,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:470:23: 427 | call dwrite(2,unita,9) | 2 ...... 470 | call dwrite(2,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:471:23: 427 | call dwrite(2,unita,9) | 2 ...... 471 | call dwrite(2,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hghppv1.F... hghppv1.F:121:27: 116 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 121 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghppv1.F:359:23: 357 | call iwrite(2,psp_type,1) | 2 358 | call iwrite(2,version,1) 359 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghppv1.F:362:23: 360 | call dwrite(2,unita,9) | 2 361 | call cwrite(2,atom,2) 362 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:363:23: 360 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:380:41: 360 | call dwrite(2,unita,9) | 2 ...... 380 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:382:23: 360 | call dwrite(2,unita,9) | 2 ...... 382 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling HGH_local.F... Compiling HGH_nonlocal.F... Compiling Tesseral.F... Compiling kbppv3.F... kbppv3.F:110:48: 102 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 110 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:371:23: 369 | call iwrite(2,psp_type,1) | 2 370 | call iwrite(2,version,1) 371 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:374:23: 372 | call dwrite(2,unita,9) | 2 373 | call cwrite(2,atom,2) 374 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:375:23: 372 | call dwrite(2,unita,9) | 2 ...... 375 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:392:41: 372 | call dwrite(2,unita,9) | 2 ...... 392 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:393:23: 372 | call dwrite(2,unita,9) | 2 ...... 393 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3-stress.F... kbppv3-stress.F:100:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 99 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 100 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3-stress.F:104:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 104 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3-stress.F:322:23: 321 | call iwrite(2,version,1) | 2 322 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling setup_kbpp.f... Compiling kbpp_ray.F... Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... Compiling integrate_stress.F... Compiling integrate_stress_new.F... Compiling integrate_stress_ray.F... Compiling aorbs_formatter.F... Compiling kbpp_orb.F... kbpp_orb.F:103:48: 96 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 103 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:275:23: 274 | call iwrite(2,version,1) | 2 275 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:280:23: 276 | call dwrite(2,unita,9) | 2 ...... 280 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_orb.F:281:23: 276 | call dwrite(2,unita,9) | 2 ...... 281 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_orb.F... Compiling integrate_pawppv1.F... Compiling integrate_paw_ray.F... Compiling kbppv3d.F... kbppv3d.F:431:23: 429 | call iwrite(2,psp_type,1) | 2 430 | call iwrite(2,version,1) 431 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d.F:434:23: 432 | call dwrite(2,unita,9) | 2 433 | call cwrite(2,atom,2) 434 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:435:23: 432 | call dwrite(2,unita,9) | 2 ...... 435 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:452:41: 432 | call dwrite(2,unita,9) | 2 ...... 452 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:453:23: 432 | call dwrite(2,unita,9) | 2 ...... 453 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3d_stress.F... kbppv3d_stress.F:102:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 101 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 102 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3d_stress.F:106:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 106 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d_stress.F:321:23: 320 | call iwrite(2,version,1) | 2 321 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3d.f... Compiling integrate_d_stress.F... Compiling integrate_kbppv3d_new.f... Compiling integrate_d_stress_new.F... Compiling kbppv3e.F... kbppv3e.F:124:48: 115 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 124 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:125:49: 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 125 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:405:23: 403 | call iwrite(2,psp_type,1) | 2 404 | call iwrite(2,version,1) 405 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:408:23: 406 | call dwrite(2,unita,9) | 2 407 | call cwrite(2,atom,2) 408 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:409:23: 406 | call dwrite(2,unita,9) | 2 ...... 409 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:425:41: 406 | call dwrite(2,unita,9) | 2 ...... 425 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:426:23: 406 | call dwrite(2,unita,9) | 2 ...... 426 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3e_stress.F... kbppv3e_stress.F:112:48: 105 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 112 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:113:49: 107 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 113 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:342:23: 341 | call iwrite(2,version,1) | 2 342 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3e.f... Compiling integrate_kbppv3e_new.f... Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... Compiling integrate_e_stress_new.F... Compiling integrate_e_stress_ray.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Making all in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Compiling wvfnc_init_input.F... wvfnc_init_input.F:244:43: 234 | > mt_int,1,nup)) | 2 ...... 244 | > mt_int,(4*nup+1),up_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:249:45: 234 | > mt_int,1,nup)) | 2 ...... 249 | > mt_int,(4*ndown+1),down_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:254:35: 234 | > mt_int,1,nup)) | 2 ...... 254 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling wvfnc_init.F... wvfnc_init.F:56:57: 50 | value = btdb_get(rtdb,'wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 56 | value = btdb_get(rtdb,'wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). wvfnc_init.F:115:20: 114 | call iwrite(6,version,1) | 2 115 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:118:20: 114 | call iwrite(6,version,1) | 2 ...... 118 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:141:22: 116 | call dwrite(6,unita,9) | 2 ...... 141 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_new.F... wvfnc_new.F:169:20: 168 | call iwrite(6,version,1) | 2 169 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:172:20: 168 | call iwrite(6,version,1) | 2 ...... 172 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:199:26: 170 | call dwrite(6,unita,9) | 2 ...... 199 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_new.F:297:30: 170 | call dwrite(6,unita,9) | 2 ...... 297 | call dwrite(6,fz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:299:30: 170 | call dwrite(6,unita,9) | 2 ...... 299 | call dwrite(6,fy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:301:30: 170 | call dwrite(6,unita,9) | 2 ...... 301 | call dwrite(6,fx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... wvfnc_expander.F:63:19: 62 | call iread(5,version,1) | 2 63 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:66:19: 62 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:76:20: 75 | call iwrite(6,version,1) | 2 76 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:79:20: 75 | call iwrite(6,version,1) | 2 ...... 79 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:109:23: 64 | call dread(5,unita,9) | 2 ...... 109 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expander.F:116:24: 77 | call dwrite(6,unita,9) | 2 ...... 116 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_reformat.F... wvfnc_reformat.F:67:19: 66 | call iread(5,version,1) | 2 67 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:70:19: 66 | call iread(5,version,1) | 2 ...... 70 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:82:20: 81 | call iwrite(6,version,1) | 2 82 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:85:20: 81 | call iwrite(6,version,1) | 2 ...... 85 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:122:24: 68 | call dread(5,unita,9) | 2 ...... 122 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_reformat.F:123:24: 83 | call dwrite(6,unita2,9) | 2 ...... 123 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_ionize.F... wvfnc_ionize.F:84:19: 83 | call iread(5,version,1) | 2 84 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:87:19: 83 | call iread(5,version,1) | 2 ...... 87 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:102:20: 101 | call iwrite(6,version,1) | 2 102 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:105:20: 101 | call iwrite(6,version,1) | 2 ...... 105 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:128:23: 85 | call dread(5,unita,9) | 2 ...... 128 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_ionize.F:134:26: 103 | call dwrite(6,unita,9) | 2 ...... 134 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_adjust.F... wvfnc_adjust.F:163:19: 162 | call iread(5,version,1) | 2 163 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:166:19: 162 | call iread(5,version,1) | 2 ...... 166 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:172:20: 171 | call iwrite(6,version,1) | 2 172 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:175:20: 171 | call iwrite(6,version,1) | 2 ...... 175 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:220:22: 162 | call iread(5,version,1) | 2 ...... 220 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:223:22: 162 | call iread(5,version,1) | 2 ...... 223 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:240:28: 164 | call dread(5,unita,9) | 2 ...... 240 | call dread(5,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:300:26: 173 | call dwrite(6,unita,9) | 2 ...... 300 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:314:25: 162 | call iread(5,version,1) | 2 ...... 314 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:317:25: 162 | call iread(5,version,1) | 2 ...... 317 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:336:28: 162 | call iread(5,version,1) | 2 ...... 336 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:339:28: 162 | call iread(5,version,1) | 2 ...... 339 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:404:19: 162 | call iread(5,version,1) | 2 ...... 404 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:407:19: 162 | call iread(5,version,1) | 2 ...... 407 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling wvfnc_convert_restricted.F... wvfnc_convert_restricted.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:78:20: 77 | call iwrite(6,version,1) | 2 78 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:81:20: 77 | call iwrite(6,version,1) | 2 ...... 81 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:102:23: 61 | call dread(5,unita,9) | 2 ...... 102 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:105:24: 79 | call dwrite(6,unita,9) | 2 ...... 105 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:115:19: 59 | call iread(5,version,1) | 2 ...... 115 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:118:19: 59 | call iread(5,version,1) | 2 ...... 118 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_wvfnc_init_input.F... v_wvfnc_init_input.F:154:35: 144 | > mt_int,1,nup)) | 2 ...... 154 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling v_wvfnc_init.F... v_wvfnc_init.F:46:59: 43 | value = btdb_get(rtdb,'v_wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 46 | value = btdb_get(rtdb,'v_wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). v_wvfnc_init.F:90:20: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:93:20: 89 | call iwrite(6,version,1) | 2 ...... 93 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:103:22: 91 | call dwrite(6,unita,9) | 2 ...... 103 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling v_wvfnc_new.F... v_wvfnc_new.F:60:20: 59 | call iwrite(6,version,1) | 2 60 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:63:20: 59 | call iwrite(6,version,1) | 2 ...... 63 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:73:22: 61 | call dwrite(6,unita,9) | 2 ...... 73 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_wannier_input.F... pspw_wannier_input.F:104:60: 95 | if (.not.rtdb_put(rtdb,'wannier:maxiter',mt_int,1,it)) | 2 ...... 104 | if (.not.rtdb_put(rtdb,'wannier:time_step',mt_dbl,1,tstep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_wannier.F... Compiling silvestrelli_overlap.F... silvestrelli_overlap.F:59:72: 59 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:41:22: 41 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here silvestrelli_overlap.F:186:72: 186 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:168:22: 168 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... Compiling silvestrelli_overlap_old.F... silvestrelli_overlap_old.F:53:72: 53 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap_old.F:38:22: 38 | integer rgrid(2),Tc(2),Ts(2),psic,psis | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize_old.F... Compiling pspw_wannier2.F... pspw_wannier2.F:236:28: 221 | call Pack_c_Copy(1,dcpl_mb(psi(1) +(n-1)*npack1), | 2 ...... 236 | call Pack_c_Copy(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_wannier2.F:237:28: 222 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 237 | > dcpl_mb(psi(1) +(n-1)*npack1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_translate.F... Compiling expand_cell.F... expand_cell.F:51:44: 38 | value = btdb_get(rtdb,'nwpw:cell_expand',mt_int,3,cell_expand) | 2 ...... 51 | if (btdb_get(rtdb,rtdb_unita,mt_dbl,9,amatrix)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling wvfnc_expand_cell.F... wvfnc_expand_cell.F:61:19: 60 | call iread(5,version,1) | 2 61 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:64:19: 60 | call iread(5,version,1) | 2 ...... 64 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:91:20: 90 | call iwrite(6,version,1) | 2 91 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:94:20: 90 | call iwrite(6,version,1) | 2 ...... 94 | call iwrite(6,dne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:121:23: 62 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expand_cell.F:132:24: 92 | call dwrite(6,unita,9) | 2 ...... 132 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling band_reformat_c_wvfnc.F... band_reformat_c_wvfnc.F:49:19: 48 | call iread(5,version,1) | 2 49 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:52:19: 48 | call iread(5,version,1) | 2 ...... 52 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:67:20: 66 | call iwrite(6,version,1) | 2 67 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:70:20: 66 | call iwrite(6,version,1) | 2 ...... 70 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:116:23: 50 | call dread(5,unita,9) | 2 ...... 116 | call dread(5,dcpl_mb(cfull_in(1)),2*nfft3d_in) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:120:23: 68 | call dwrite(6,unita,9) | 2 ...... 120 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:197:19: 48 | call iread(5,version,1) | 2 ...... 197 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:200:19: 48 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:215:20: 66 | call iwrite(6,version,1) | 2 ...... 215 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:218:20: 66 | call iwrite(6,version,1) | 2 ...... 218 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:346:19: 48 | call iread(5,version,1) | 2 ...... 346 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:349:19: 48 | call iread(5,version,1) | 2 ...... 349 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:364:20: 66 | call iwrite(6,version,1) | 2 ...... 364 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:367:20: 66 | call iwrite(6,version,1) | 2 ...... 367 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling makenodefunctions.F... makenodefunctions.F:113:72: 113 | call psi_derivative_f(itype,gx,gy,gz,psir) | 1 Warning: Type mismatch in argument 'f' at (1); passed REAL(8) to COMPLEX(8) makenodefunctions.F:133:28: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). makenodefunctions.F:133:33: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Making all in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Compiling cpsd_input.F... cpsd_input.F:136:54: 116 | > geometry_optimize) | 2 ...... 136 | value = rtdb_put(rtdb,'cpsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cpmd_input.F... cpmd_input.F:172:54: 155 | > geometry_optimize) | 2 ...... 172 | value = rtdb_put(rtdb,'cpmd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cpsdv5.F... cpsdv5.F:790:2: 790 | #warning backspace | 1~~~~~~ Warning: #warning backspace [-Wcpp] cpsdv5.F:995:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 995 | > dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsdv5.F:996:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 996 | > dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpmdv5.F... cpmdv5.F:354:50: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 354 | call ycopy(2*npack1*(neq(1)+neq(2)),0.0d0,0,dcpl_mb(psi1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:412:42: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 412 | call ycopy(2*(neq(1)+neq(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling mmsdv1.F... Compiling inner_loop_md.F... inner_loop_md.F:465:27: 444 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 465 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_md.F:531:30: 461 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 531 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling mm_loop.F... Compiling psi_lmbda.f... Compiling psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... Compiling psi_lmbda2.f... Compiling psi_lmbda3.f... psi_lmbda3.f:179:20: 126 | > tmp(s21),n, | 2 ...... 179 | > psi1(1,n1(ms)),2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_lmbda3.f:182:20: 129 | > tmp(sa1),n) | 2 ...... 182 | > psi2(1,n1(ms)),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_lmbda_omp.F... Compiling fei_output.F... Compiling dipole_motion.F... Compiling pspw_et.F... pspw_et.F:1594:41: 1500 | call ycopy(n2ft3d,0.0d0,0,rho,1) | 2 ...... 1594 | call ycopy(2*nemaxq*npack1,0.0d0,0,dcpl_mb(Hpsi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling runsocket.F... runsocket.F:100:42: 72 | call nwpw_talker_read(sock,msg,12) | 2 ...... 100 | call nwpw_talker_read(sock,unita,9*8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). runsocket.F:148:43: 94 | call nwpw_talker_write(sock,statebuffer,12) | 2 ...... 148 | call nwpw_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling inner_loop.F... inner_loop.F:477:27: 451 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 477 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop.F:538:30: 473 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 538 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Making all in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Compiling cgsd_input.F... cgsd_input.F:445:54: 437 | > frac_coord) | 2 ...... 445 | > rtdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling pspw_noit_energy.F... Compiling pspw_energy.F... pspw_energy.F:65:51: 49 | > runme)) | 2 ...... 65 | if (rtdb_get(rtdb,'cgsd:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). pspw_energy.F:114:21: 82 | value = rtdb_put(rtdb,'cgsd:wcut',mt_dbl,1,wcut) | 2 ...... 114 | > .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling pspw_gradient.F... Compiling pspw_bq_gradient.F... Compiling pspw_stress.F... Compiling cgsdv5.F... cgsdv5.F:709:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 709 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:712:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 712 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:724:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 724 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsdv5.F:727:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 727 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:648:72: 648 | if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ | ^ Warning: 'evq' may be used uninitialized [-Wmaybe-uninitialized] cgsdv5.F:61:20: 61 | real*8 EV,EVQ,pi,rs | ^ note: 'evq' was declared here Compiling cgmontecarlov1.F... cgmontecarlov1.F:769:27: 197 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 769 | call ycopy(9,mc_unita1,1,mc_unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1056:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1056 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1059:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1059 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1069:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1069 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1072:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1072 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:761:72: 761 | > dbl_mb(frac1(1))) | ^ Warning: 'frac1[0]' may be used uninitialized [-Wmaybe-uninitialized] cgmontecarlov1.F:81:35: 81 | integer vcount,geom1,frac1(2),nion1 | ^ note: 'frac1[0]' was declared here Compiling cgoptimize1.F... cgoptimize1.F:716:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 716 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:719:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:729:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgoptimize1.F:732:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:429:13: 429 | if (opt_algorithm.eq.0) then | ^ Warning: 'opt_algorithm' may be used uninitialized [-Wmaybe-uninitialized] cgoptimize1.F:75:27: 75 | integer opt_algorithm | ^ note: 'opt_algorithm' was declared here Compiling cgmdv5.F... cgmdv5.F:1079:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1079 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1082:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1082 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1092:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1092 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmdv5.F:1095:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1095 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mmmdv1.F... mmmdv1.F:719:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mmmdv1.F:729:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mmmdv1.F:732:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgsd_noit_energy.F... Compiling cgsd_energy.F... cgsd_energy.F:281:36: 279 | call ecce_print1('iteration counter', mt_int,icount*it_in,1) | 2 280 | call ecce_print1('iterative total energy difference', 281 | > mt_dbl, deltae, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cgsd_energy.F:1209:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1209 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsd_energy.F:1547:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1547 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling cgsd_excited.F... Compiling cgsd_oep_eigenvalues.F... Compiling cgminimize.F... Compiling cgminimize2.F... Compiling cgminimizeABC.F... Compiling bfgsminimize.F... Compiling bfgsminimize2.F... Compiling bfgsminimize3.F... Compiling bfgsminimizeABC.F... Compiling bybminimize0.F... Compiling bybminimize.F... bybminimize.F:270:72: 270 | deltae = Enew-Eold | ^ Warning: 'enew' may be used uninitialized [-Wmaybe-uninitialized] bybminimize.F:45:21: 45 | real*8 Enew,Eold,alpha | ^ note: 'enew' was declared here Compiling bybminimize2.F... Compiling sdminimize.F... Compiling nominimize.F... Compiling md_energy.F... Compiling kp_structure.F... kp_structure.F:120:72: 120 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here kp_structure.F:121:72: 121 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here kp_structure.F:122:72: 122 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here Compiling pspw_director.F... pspw_director.F:215:34: 215 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:179:34: 179 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:154:34: 154 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:135:34: 135 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Making all in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Compiling analysis_input.F... Compiling analysis.F... analysis.F:167:40: 144 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 167 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling orb_pop.F... Compiling orb_pop_kawai.F... Compiling orb_pop_aorb.F... Compiling orb.F... orb.F:75:45: 69 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) | 2 ...... 75 | > dbl_mb(b0(1)+(k-1)*6))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_Lubin_water_analysis.F... Compiling pspw_atom_analysis.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making all in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' Compiling pspw_APC.F... pspw_APC.F:1313:47: 1313 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:1404:55: 1309 | call Parallel_shared_vector_zero(.true.,ngs,dbl_mb(u(1))) | 2 ...... 1404 | call Parallel_shared_vector_zero(.true.,2*npack0,dcpl_mb(vtmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_APC.F:1220:47: 1220 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:62:52: 54 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 62 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). pspw_APC.F:445:72: 445 | > dbl_mb(A(1)+3*ngs*ngs+indx)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[2]' was declared here pspw_APC.F:442:72: 442 | > dbl_mb(A(1)+2*ngs*ngs+indx)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[1]' was declared here pspw_APC.F:439:72: 439 | > dbl_mb(A(1)+ngs*ngs+indx)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[0]' was declared here Compiling pspw_atom_Efield.F... Compiling util_diag_jacobi.F... Compiling util_sorteps.F... Compiling pspw_atom_Efield_grad.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making all in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Compiling cell_optimize_input.F... cell_optimize_input.F:250:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 250 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:253:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 253 | > mt_int,9,optimize_lattice_vectors) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:256:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 256 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cell_optimize.F... cell_optimize.F:44:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 44 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize.F:48:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 48 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling update_unitcell.F... update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here Compiling pspw_stress_numerical.F... Compiling pspw_force_numerical.F... Compiling force_fd.F... force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here Compiling stress_fd.F... stress_fd.F:131:53: 120 | > mt_log,1,lstress_numerical)) | 2 ...... 131 | > btdb_get(rtdb,'pspw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). stress_fd.F:192:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 192 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:324:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 324 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:497:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 497 | call ycopy(9,all_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:511:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 511 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:620:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 620 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:798:22: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 798 | call ycopy(6,all_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Making all in qmmm make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Compiling pspw_qmmm_input.F... pspw_qmmm_input.F:170:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 170 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,npair) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pspw_qmmm_input.F:501:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 501 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:534:49: 168 | if (.not.rtdb_get(rtdb,rtdb_name,mt_int,1,npair)) npair = 0 | 2 ...... 534 | > mt_dbl,(2*basis_length-2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_qmmm_input.F:560:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 560 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:730:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 730 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:736:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 736 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1438:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1438 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1444:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1444 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:2115:51: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 2115 | if (.not.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling pspw_qmmm.F... pspw_qmmm.F:106:46: 70 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,value)) value = .false. | 2 ...... 106 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling pspw_2qmmm.F... pspw_2qmmm.F:78:46: 60 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nfrag)) nfrag = 0 | 2 ...... 78 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_springs.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making all in pspw_LJ make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Compiling pspw_LJ.F... pspw_LJ.F:99:59: 68 | value = btdb_get(rtdb,rtdbname(1:j),mt_dbl,2,sigma_epsilon) | 2 ...... 99 | if (.not.btdb_get(rtdb,'pspw_LJ_include_qm',mt_log,1,include_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_LJ.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Compiling pspw_Q.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_Q.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Making all in pspw_Pair make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Compiling pspw_Pair.F... pspw_Pair.F:72:33: 63 | if (.not.btdb_get(rtdb,rtdbname(1:k),mt_dbl,2,sigma_epsilon)) | 2 ...... 72 | > mt_log,1,include_lj_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_Pair.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Making all in mmq make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' Compiling mmq.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a mmq.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making all in charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Compiling pspw_charge.F... pspw_charge.F:110:51: 103 | > 'nwpw:charge_type',mt_int,1,charge_type)) then | 2 ...... 110 | > 'nwpw:charge_dielectric_d',mt_dbl,1,s_d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_charge.F:677:44: 675 | call Parallel_shared_vector_zero(.false.,n2ft3d,Vqm) | 2 676 | call Parallel_shared_vector_zero(.false.,2*npack0, 677 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:686:43: 684 | call Pack_cc_daxpy(0,q1,dcpl_mb(exi(1)),Vqm) | 2 685 | call Pack_cc_daxpy(0,dabs(q1),dcpl_mb(exi(1)), 686 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:692:53: 691 | call Pack_tc_Mul2(0,dbl_mb(vc_charge(1)),Vqm) | 2 692 | call Pack_tc_Mul2(0,dbl_mb(vc2_charge(1)),dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_efield.F... pspw_efield.F:31:59: 27 | if (.not.btdb_get(rtdb,'nwpw:efield',mt_log,1,efield_on)) | 2 ...... 31 | if(.not.btdb_get(rtdb,'nwpw:efield_type',mt_int,1,efield_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_charge.o pspw_efield.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Making all in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Compiling pspw_dplot_input.F... pspw_dplot_input.F:291:42: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 291 | > mt_dbl,3,x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot_input.F:602:57: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 602 | if (.not.rtdb_put(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pspw_dplot.F... pspw_dplot.F:698:72: 698 | call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) | 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) pspw_dplot.F:753:62: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 753 | if (.not.btdb_get(rtdb,name2(1:name2_len),mt_dbl,3,x)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot.F:778:50: 618 | 710 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 778 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:779:32: 673 | call D3dB_rc_fft3f(1,dbl_mb(rho(1))) | 2 ...... 779 | call D3dB_rc_fft3f(1,dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:987:57: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 987 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:2078:25: 674 | call Pack_c_pack(1,dbl_mb(rho(1))) | 2 ...... 2078 | call Pack_c_pack(0,dcpl_mb(tmp2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:423:33: 423 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 1 ...... 2076 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp2(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_dplot.F:93:57: 93 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 ...... 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:261:72: 261 | > fractional,dbl_mb(occ2(1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:273:72: 273 | > .false.,tag) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) Compiling pspw_dplot_iteration.F... Compiling ELF.F... ELF.F:83:30: 72 | call D3dB_r_Zero_Ends(1,dbl_mb(dns(1))) | 2 ...... 83 | call D3dB_r_Zero_Ends(1,dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:105:35: 105 | call ycopy(n2ft3d,0.0d0,0,dcpl_mb(dng(1)),1) | 1 ...... 187 | call ycopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:446:72: 446 | tsum = tsum * dv | ^ Warning: 'tsum' is used uninitialized [-Wuninitialized] ELF.F:385:27: 385 | real*8 summ(100),tsum,msum,x,y,z,dv,dx,dy,dz,rr,rrmin | ^ note: 'tsum' declared here Compiling Ursenbach_smoother.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Making all in lcao make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' Compiling lcao_wvfnc.F... Compiling wvfnc_new_lcao_density.F... wvfnc_new_lcao_density.F:371:29: 358 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 371 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_write_matrix.F... Compiling lcao_generate_smatrix.F... Compiling lcao_generate_kematrix.F... Compiling lcao_generate_vlmatrix.F... lcao_generate_vlmatrix.F:98:30: 75 | call Pack_c_unpack(0,dcpl_mb(vl(1))) | 2 ...... 98 | call Pack_c_unpack(1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:99:33: 76 | call D3dB_cr_pfft3b(1,0,dcpl_mb(vl(1))) | 2 ...... 99 | call D3dB_cr_pfft3b(1,1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:28: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:41: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). lcao_generate_vlmatrix.F:40:72: 40 | vpsi = vlr_l(1) | ^ Warning: 'vlr_l' may be used uninitialized [-Wmaybe-uninitialized] lcao_generate_vlmatrix.F:20:28: 20 | integer vl(2),vlr_l(2),rgrid(2),vpsi | ^ note: 'vlr_l' declared here Compiling lcao_generate_vnlmatrix.F... Compiling lcao_generate_vhxcmatrix.F... lcao_generate_vhxcmatrix.F:172:31: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vhxcmatrix.F:172:44: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_init_dn.F... Compiling lcao_new_dn.F... Compiling lcao_make_psi.F... Compiling lcao_write_psi.F... lcao_write_psi.F:73:23: 72 | call iwrite(6,version,1) | 2 73 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:76:23: 72 | call iwrite(6,version,1) | 2 ...... 76 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:185:23: 72 | call iwrite(6,version,1) | 2 ...... 185 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:188:23: 72 | call iwrite(6,version,1) | 2 ...... 188 | call iwrite(6,ne_excited,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling lcaov1.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a task_pspw.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Making all in paw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Compiling task_paw.F... Making all in paw_geometry make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' Making all in paw_ma make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Compiling paw_ma.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_ma.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Making all in paw_utils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Compiling integrate.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Compiling paw_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling io_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling chkerr.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling double_factorial.f... double_factorial.f:15:72: 15 | end | ^ Warning: '__result_double_factorial' may be used uninitialized [-Wmaybe-uninitialized] double_factorial.f:1:48: 1 | double precision function double_factorial(n) | ^ note: '__result_double_factorial' was declared here Compiling bessel_transform.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_gauss_weights.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_spher_grid.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Making all in paw_basis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Compiling paw_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_basis.F:365:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 365 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). paw_basis.F:375:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 375 | call BRDCST(9+MSGDBL,eig, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:379:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 379 | call BRDCST(9+MSGDBL,core_density, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:380:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 380 | call BRDCST(9+MSGDBL,ps_core_density,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:381:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 381 | call BRDCST(9+MSGDBL,v_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:385:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 385 | call BRDCST(9+MSGDBL,phi_ae, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:386:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 386 | call BRDCST(9+MSGDBL,phi_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:387:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 387 | call BRDCST(9+MSGDBL,phi_ae_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:388:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 388 | call BRDCST(9+MSGDBL,phi_ps_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:389:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 389 | call BRDCST(9+MSGDBL,prj_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:390:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 390 | call BRDCST(9+MSGDBL,prj_ps0, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_small_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_basis_data.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Making all in paw_proj make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Compiling paw_proj.F... paw_proj.F:522:22: 520 | call iread(5,ngrid,3) | 2 521 | call dread(5,unita,9) 522 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:529:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 528 | msglen = 9 529 | call BRDCST(9+MSGDBL,unita,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). paw_proj.F:531:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 531 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:605:22: 520 | call iread(5,ngrid,3) | 2 ...... 605 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:615:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 615 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:709:23: 707 | call iwrite(6,ngrid,3) | 2 708 | call dwrite(6,unita,9) 709 | call iwrite(6,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:808:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 808 | call iwrite(6,l,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:809:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 809 | call iwrite(6,m,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_proj.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Making all in paw_matrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Compiling paw_comp_charge_matrix.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_comp_charge_matrix.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Making all in paw_ovlp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Compiling paw_ovlp.F... Compiling paw_overlap_matrix.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_ovlp.o paw_overlap_matrix.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Making all in paw_comp_charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Compiling paw_comp_charge.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_comp_charge.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Making all in paw_special_functions make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Compiling paw_spher_func.F... Compiling paw_double_factorial.F... Compiling paw_gamma_function.F... Compiling paw_hypergeom1F1.F... paw_hypergeom1F1.F:12:48: 12 | DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) | ^ Warning: '__result_paw_hypergeom1f1' may be used uninitialized [-Wmaybe-uninitialized] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Making all in paw_gaunt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Compiling paw_gaunt.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_gaunt.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Making all in paw_kinetic make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Compiling paw_energy_kin_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_kin.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Making all in paw_vloc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Compiling paw_energy_vloc_atom.F... Compiling paw_matrix_vloc.F... Compiling paw_vloc.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Making all in paw_ion_potential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Compiling paw_energy_ion_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_ion.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Making all in paw_core make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Compiling paw_energy_core_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_core.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_energy_core_atom.o paw_matrix_core.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Making all in paw_hartree make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Compiling paw_matrix_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_pot_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_energy_hartree_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Making all in paw_comp_pot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Compiling paw_matrix_comp_pot.F... Compiling paw_pot_comp.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Making all in paw_mult make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Compiling paw_mult.F... paw_mult.F:1118:40: 1118 | call ycopy((lmax+1)*nkatm,0.0d0,0,coeff,1) | 1 ...... 1163 | > dcpl_mb(comp_coeff(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_mult_interaction.F... Compiling paw_mult_energy.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Making all in paw_nonlocal make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Compiling paw_nonlocal.F... paw_nonlocal.F:281:35: 241 | > dcpl_mb(paw_Gop_static(1)),1, | 2 ...... 281 | call ycopy(2*paw_nl_coeff(3),0.0d0,0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_nonlocal.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Making all in paw_density make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Compiling paw_density.F... paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_density.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Making all in paw_xc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Compiling paw_xc.F... paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:484:41: 484 | call ycopy(2*paw_xc_pot(3),0.0d0,0,dcpl_mb(paw_xc_pot(1)),1) | 1 ...... 1307 | call ycopy(3*ic*ispin,0.0d0,0,rho_prime,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:858:44: 855 | > dcpl_mb(paw_xc_pot(1))) | 2 ...... 858 | call D3dB_Vector_Sumall(paw_xc_e(3),dbl_mb(paw_xc_e(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_vosko.F... Compiling paw_dirac_x.F... Compiling paw_gga.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Making all in paw_force make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Compiling paw_force.F... paw_force.F:215:30: 215 | > dcpl_mb(paw_force_cx_s(1))) | 1 ...... 906 | if (np.gt.1) call D3dB_Vector_SumAll(3*nion,dbl_mb(ft(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_force.F:260:34: 260 | call ycopy(tcount,0.0d0,0,dcpl_mb(paw_force_wx_u(1)),1) | 1 ...... 768 | call ycopy(3*nion,0.0d0,0,dbl_mb(ft(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_force.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Making all in paw_Grsm_list make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Compiling paw_Grsm_list.F... Compiling paw_lmbfgs.F... paw_lmbfgs.F:80:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 80 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:82:39: 26 | call paw_Grsm_list_store(2*m-1,g) | 2 ...... 82 | call paw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:96:25: 88 | > dbl_mb(ss(1)), | 2 ...... 96 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_lmbfgs.F:99:35: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:99:51: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_Grsm_list.o paw_lmbfgs.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Making all in paw_psi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Compiling paw_psi.F... paw_psi.F:167:22: 167 | call ycopy(8*nn,0.0d0,0,tmp,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:171:22: 171 | call ycopy(2*nn,0.0d0,0,lmbda,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:223:20: 223 | > psi1(1,n1(ms)),2*npack1, | 1 ...... 395 | > fnm,n_max, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi.F:226:20: 226 | > psi2(1,n1(ms)),2*npack1) | 1 ...... 398 | > tmp,n_max) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_psi2.F... paw_psi2.F:2471:31: 722 | > rho, 1, | 2 ...... 2471 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2526:31: 722 | > rho, 1, | 2 ...... 2526 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2925:51: 2897 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 2 ...... 2925 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:32: 722 | > rho, 1, | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:40: 723 | > dbl_mb(rho_ptr),1) | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi2.F:3010:32: 722 | > rho, 1, | 2 ...... 3010 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi1_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3011:25: 722 | > rho, 1, | 2 ...... 3011 | call ycopy(2*nemax,0.0d0,0,dbl_mb(eig_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:189:72: 189 | > dcpl_mb(t(1))) | ^ Warning: 'lmbda_r0' may be used uninitialized [-Wmaybe-uninitialized] paw_psi2.F:115:54: 115 | real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 | ^ note: 'lmbda_r0' was declared here paw_psi2.F:189:72: 189 | > dcpl_mb(t(1))) | ^ Warning: 'lmbda_r0' may be used uninitialized [-Wmaybe-uninitialized] paw_psi2.F:115:54: 115 | real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 | ^ note: 'lmbda_r0' was declared here Compiling paw_psi_new.F... Compiling paw_psi_H.F... Compiling paw_electron.F... paw_electron.F:1266:30: 431 | > dcpl_mb(tmp2(1))) | 2 ...... 1266 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1588:28: 426 | > dng, | 2 ...... 1588 | > dbl_mb(dn_cmp_smooth(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1589:28: 427 | > dbl_mb(dn_cmp_smooth(1)), | 2 ...... 1589 | > dng, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1631:32: 1268 | call Pack_c_unpack(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1631 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1632:32: 1269 | call D3dB_cr_fft3b(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1632 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1633:35: 1270 | call D3dB_r_Zero_Ends(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1633 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1381:32: 1381 | call D3dB_r_SMul1(1,scal1,dbl_mb(tmp1(1))) | 1 ...... 1638 | call D3dB_r_SMul1(1,scal1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1382:27: 1382 | call D3dB_rc_fft3f(1,dbl_mb(tmp1(1))) | 1 ...... 1637 | call D3dB_rc_fft3f(1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1383:25: 1383 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 1 ...... 1639 | call Pack_c_pack(0,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1384:25: 430 | > dcpl_mb(vcomp(1)), | 2 ...... 1384 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:225:42: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:225:49: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1469:29: 1443 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)), | 2 ...... 1469 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1511:44: 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 ...... 1511 | call ycopy(4*nfft3d,dbl_mb(vall(1)),1,vall_out,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling paw_geodesic.F... paw_geodesic.F:315:20: 315 | > dbl_mb( Vt(1)+shift2),n, | 1 ...... 671 | > A,2*npack, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_geodesic.F:318:20: 318 | > dbl_mb(tmp2(1)+shift2),n) | 1 ...... 674 | > U,2*npack) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Making all in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Compiling paw_sd.F... paw_sd.F:903:40: 331 | call ycopy(20,0.0d0,0,E,1) | 2 ...... 903 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_cpmd.F... paw_cpmd.F:538:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 538 | call ycopy(2*(ne(1)+ne(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:539:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 539 | > dcpl_mb(psi0(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_inner_loop.F... paw_inner_loop.F:327:32: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:327:40: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:345:44: 303 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 345 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:392:28: 375 | > dn_cmp_smooth, | 2 ...... 392 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:409:32: 304 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 409 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:410:32: 305 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 410 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:411:35: 306 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 411 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:603:41: 491 | call paw_ovlp_S(n2(ispin),psi1,psi2) ! psi2 = S*psi1 | 2 ...... 603 | call paw_ovlp_S(n2(ispin),psi1,psi_r) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:675:25: 376 | > dcpl_mb(dng(1)), | 2 ...... 675 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_inner_loop_md.F... paw_inner_loop_md.F:331:32: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:331:40: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:356:44: 307 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 356 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:403:28: 386 | > dn_cmp_smooth, | 2 ...... 403 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:420:32: 308 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 420 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:421:32: 309 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 421 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:422:35: 310 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 422 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:722:23: 387 | > dcpl_mb(dng(1)), | 2 ...... 722 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:603:72: 603 | call Pack_cc_daxpy(1,-1.0d0*sa2,psi0(1,n),psi2(1,n)) | ^ Warning: 'sa2' may be used uninitialized [-Wmaybe-uninitialized] paw_inner_loop_md.F:128:37: 128 | real*8 eke,eki,sse,ssr,sa1,sa2 | ^ note: 'sa2' was declared here paw_inner_loop_md.F:602:72: 602 | call Pack_c_SMul(1,dte*sa1,Hpsi(1,n),psi2(1,n)) | ^ Warning: 'sa1' may be used uninitialized [-Wmaybe-uninitialized] paw_inner_loop_md.F:128:33: 128 | real*8 eke,eki,sse,ssr,sa1,sa2 | ^ note: 'sa1' was declared here Compiling psi_marat_write.F... Compiling paw_output.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Making all in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Compiling paw_energy.F... Compiling paw_noit_energy.F... Compiling paw_gradient.F... Compiling paw_stress.F... Compiling paw_minimizer.F... paw_minimizer.F:500:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 500 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_minimizer.F:511:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 511 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_minimizer.F:505:72: 505 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] paw_minimizer.F:64:25: 64 | integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d | ^ note: 'nion' was declared here Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... Compiling paw_bfgsminimize.F... Compiling paw_nominimize.F... Compiling paw_sdminimize.F... Compiling paw_cgsd_noit_energy.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Making all in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' Compiling paw_stress_numerical.F... Compiling paw_stress_fd.F... paw_stress_fd.F:91:53: 79 | > mt_log,1,lstress_numerical)) | 2 ...... 91 | > btdb_get(rtdb,'nwpw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). paw_stress_fd.F:134:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 134 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:183:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 183 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:237:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 237 | call ycopy(9,ke_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:263:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 263 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:308:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 308 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:362:22: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 362 | call ycopy(6,ke_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_cell_optimize.F... paw_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling paw_update_unitcell.F... paw_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] paw_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a task_paw.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Making all in band make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Compiling band_input.F... band_input.F:282:54: 279 | > mulliken) | 2 ...... 282 | value = rtdb_put(rtdb,'band:fake_mass',mt_dbl,1,fake_mass) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Compiling task_band.F... Compiling band_energy.F... band_energy.F:69:51: 40 | if (.not.rtdb_get(rtdb,'nwpw:rho_use_symmetry',mt_log,1,use_sym)) | 2 ...... 69 | if (rtdb_get(rtdb,'band:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_energy.F:86:58: 59 | > mt_log,1,.false.)) | 2 ...... 86 | value = rtdb_put(rtdb,'band:wcut',mt_dbl,1,wcut) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling band_noit_energy.F... Compiling band_gradient.F... Compiling band_stress.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making all in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Compiling band_minimizer.F... band_minimizer.F:648:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 648 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:658:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 658 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_minimizer.F:661:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 661 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:652:72: 652 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] band_minimizer.F:61:25: 61 | integer i,k,ia,nion,vers,nbrillioun,nb,ms | ^ note: 'nion' was declared here Compiling c_cgsd_energy.F... Compiling c_cgsd_noit_energy.F... Compiling c_cgsd_energy_gradient.F... Compiling c_cgsd_energy_stress.F... c_cgsd_energy_stress.F:64:19: 38 | call ycopy(9,0.0d0,0,stress,1) | 2 ...... 64 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling c_cgsd_excited.F... Compiling c_cgminimize.F... Compiling c_cgminimize2.F... Compiling c_cgminimizeABC.F... Compiling c_bfgsminimize.F... Compiling c_bfgsminimizeABC.F... Compiling c_bybminimize0.F... Compiling c_bybminimize.F... Compiling c_bybminimize2.F... c_bybminimize2.F:318:20: 283 | > dbl_mb(rho_in(1)),1, | 2 ...... 318 | > dcpl_mb(rho_out(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_bybminimize2.F:319:20: 284 | > dbl_mb(rho_junk(1)),1) | 2 ...... 319 | > dcpl_mb(rho_junk(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling c_sdminimize.F... Compiling c_nominimize.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Making all in structure make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Compiling band_structure.F... band_structure.F:693:38: 567 | > isize,dbl_mb(eigs_dos(1)))) then | 2 ...... 693 | > mt_int,1,norbs_dos)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[2]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[1]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[0]' was declared here Compiling band_interpolate_structure.F... band_interpolate_structure.F:262:72: 262 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here band_interpolate_structure.F:263:72: 263 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_interpolate_structure.F:264:72: 264 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here Compiling band_kp_structure.F... band_kp_structure.F:190:72: 190 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here band_kp_structure.F:191:72: 191 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_kp_structure.F:192:72: 192 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here Compiling band_fft_structure.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Making all in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Compiling band_sd.F... band_sd.F:922:72: 922 | write(luout,1457) E(20),E(20)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here band_sd.F:932:72: 932 | write(luout,1502) E(21),E(21)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here Compiling band_cpmd.F... band_cpmd.F:1128:72: 1128 | eave = E(25)/dble(icount+icount_shift) | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:89:46: 89 | integer icount,it_in,it_out,icount_shift | ^ note: 'icount_shift' was declared here band_cpmd.F:1061:72: 1061 | call print_elapsed_time(icount*it_in*dt) | ^ Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:85:22: 85 | real*8 EV,pi,dt,a,b,c,alpha,beta,gamma | ^ note: 'dt' was declared here Compiling band_inner_loop.F... band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) Compiling band_inner_loop_md.F... band_inner_loop_md.F:311:35: 154 | call ycopy(2*nfft3d,0.0d0,0,dbl_mb(xcp(1)),1) | 2 ...... 311 | call ycopy(ispin*nfft3d,dn,1,dbl_mb(dnall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:609:36: 609 | call Cram_c_SMul1(nb,-h,dbl_mb(psi0_shift)) | 1 ...... 757 | call Cram_c_SMul1(nb,2.0d0*sse,psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:611:31: 611 | > dbl_mb(psi2_shift), | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:612:31: 612 | > dbl_mb(psi0_shift)) | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:516:17: 516 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_inner_loop_md.F:535:18: 535 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_inner_loop_md.F:782:72: 782 | call Cram_cc_daxpy(nb,-1.0d0*sa2,psi0(1,n),psi2(1,n)) | ^ Warning: 'sa2' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:50:36: 50 | real*8 deltamm,weight,sa1,sa2,fmass,ssr,sse,r,s,h | ^ note: 'sa2' was declared here band_inner_loop_md.F:783:72: 783 | call Cram_cc_daxpy(nb,2.0d0*sa1,psi1(1,n),psi2(1,n)) | ^ Warning: 'sa1' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:50:32: 50 | real*8 deltamm,weight,sa1,sa2,fmass,ssr,sse,r,s,h | ^ note: 'sa1' was declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Making all in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Compiling band_stress_numerical.F... Compiling band_stress_fd.F... Compiling band_cell_optimize.F... band_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling band_update_unitcell.F... band_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] band_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Making all in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Compiling cpsp_formatter_auto.F... Compiling borbs_formatter.F... Compiling kbpp_band.F... kbpp_band.F:113:27: 112 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 113 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). kbpp_band.F:368:23: 366 | call iwrite(2,psp_type,1) | 2 367 | call iwrite(2,version,1) 368 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band.F:371:23: 369 | call dwrite(2,unita,9) | 2 370 | call cwrite(2,atom,2) 371 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:372:23: 369 | call dwrite(2,unita,9) | 2 ...... 372 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:388:23: 369 | call dwrite(2,unita,9) | 2 ...... 388 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbpp_band_orb.F... kbpp_band_orb.F:104:48: 97 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 104 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:240:23: 239 | call iwrite(2,version,1) | 2 240 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:245:23: 241 | call dwrite(2,unita,9) | 2 ...... 245 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band_orb.F:246:23: 241 | call dwrite(2,unita,9) | 2 ...... 246 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling setup_kbpp_band.f... Compiling integrate_kbpp_band_local.F... Compiling integrate_kbpp_band_nonlocal.F... Compiling integrate_kbpp_band_orb.F... Compiling kbpp_band_ray.F... Compiling integrate_kbpp_band_ray.F... Compiling integrate_kbpp_band_local_new.F... Compiling integrate_kbpp_band_nonlocal_new.F... Compiling cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... kbpp_band_stress.F:106:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 105 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 106 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbpp_band_stress.F:110:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 110 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_stress.F:316:23: 315 | call iwrite(2,version,1) | 2 316 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_band_stress_local.F... Compiling integrate_kbpp_band_stress_nonlocal.F... Compiling integrate_kbpp_band_stress_ray.F... Compiling integrate_kbpp_band_stress_local_new.F... Compiling integrate_kbpp_band_stress_nonlocal_new.F... Compiling HGH_band_local.F... Compiling HGH_band_nonlocal.F... Compiling Tesseral_band.F... Compiling Spherical_band.F... Compiling hghpp_band.F... hghpp_band.F:123:27: 118 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 123 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghpp_band.F:374:23: 372 | call iwrite(2,psp_type,1) | 2 373 | call iwrite(2,version,1) 374 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghpp_band.F:377:23: 375 | call dwrite(2,unita,9) | 2 376 | call cwrite(2,atom,2) 377 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:378:23: 375 | call dwrite(2,unita,9) | 2 ...... 378 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:395:23: 375 | call dwrite(2,unita,9) | 2 ...... 395 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:472:25: 375 | call dwrite(2,unita,9) | 2 ...... 472 | call dwrite(2,dcpl_mb(vnlso_indx),2*nsize*nprj) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling rkbpp_band.F... rkbpp_band.F:581:32: 581 | call ycopy(ngsize,0.0d0,0,vl,1) | 1 ...... 697 | call ycopy(nprj*ngx*ngy*ngz*4,0.0d0,0,vnl,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:625:43: 625 | call Parallel_Vector_SumAll(4*ngsize,rho_sc_k) | 1 ...... 773 | call Parallel_Vector_SumAll(ngx*ngy*ngz*4*nprj,vnl) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:108:27: 107 | call BRDCST(9+MSGINT,pspx,mitob(msglen),MASTER) | 2 108 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rkbpp_band.F:341:22: 339 | call iwrite(2,psp_type,1) | 2 340 | call iwrite(2,version,1) 341 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rkbpp_band.F:344:22: 342 | call dwrite(2,unita,9) | 2 343 | call cwrite(2,atom,2) 344 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:345:22: 342 | call dwrite(2,unita,9) | 2 ...... 345 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:359:22: 342 | call dwrite(2,unita,9) | 2 ...... 359 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:363:22: 342 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,dcpl_mb(vnl_indx),nsize*nprj_out*4) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:761:72: 761 | f(k)=a*vv*rho(k) | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here Compiling kbpp_e_band.F... kbpp_e_band.F:125:48: 118 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 125 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:126:49: 120 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 126 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:386:23: 384 | call iwrite(2,psp_type,1) | 2 385 | call iwrite(2,version,1) 386 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:389:23: 387 | call dwrite(2,unita,9) | 2 388 | call cwrite(2,atom,2) 389 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:390:23: 387 | call dwrite(2,unita,9) | 2 ...... 390 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:405:23: 387 | call dwrite(2,unita,9) | 2 ...... 405 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_e_band_nonlocal.F... Compiling integrate_kbpp_e_band_nonlocal_new.F... Compiling integrate_kbpp_e_band_local.F... Compiling integrate_kbpp_e_band_local_new.F... Compiling integrate_kbpp_e_band_ray.F... Compiling kbpp_e_band_stress.F... kbpp_e_band_stress.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:118:49: 111 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:336:23: 335 | call iwrite(2,version,1) | 2 336 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_e_band_stress_local.F... Compiling integrate_kbpp_e_band_stress_local_new.F... Compiling integrate_kbpp_e_band_stress_ray.F... Compiling integrate_kbpp_e_band_stress_nonlocal.F... Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Making all in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Compiling c_wvfnc_new.F... c_wvfnc_new.F:188:20: 187 | call iwrite(6,version,1) | 2 188 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:197:20: 187 | call iwrite(6,version,1) | 2 ...... 197 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:219:24: 189 | call dwrite(6,unita,9) | 2 ...... 219 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) !** should be writing zeros ** | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_new.F:305:30: 189 | call dwrite(6,unita,9) | 2 ...... 305 | call dwrite(6,rz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:307:30: 189 | call dwrite(6,unita,9) | 2 ...... 307 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:309:30: 189 | call dwrite(6,unita,9) | 2 ...... 309 | call dwrite(6,ry,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_expander.F... c_wvfnc_expander.F:58:19: 57 | call iread(5,version,1) | 2 58 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:66:19: 57 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:79:20: 78 | call iwrite(6,version,1) | 2 79 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:82:20: 78 | call iwrite(6,version,1) | 2 ...... 82 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:111:23: 59 | call dread(5,unita,9) | 2 ...... 111 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:118:24: 80 | call dwrite(6,unita,9) | 2 ...... 118 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:127:23: 59 | call dread(5,unita,9) | 2 ...... 127 | call dread(5,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_expander.F:128:24: 80 | call dwrite(6,unita,9) | 2 ...... 128 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_adjust.F... c_wvfnc_adjust.F:169:19: 168 | call iread(5,version,1) | 2 169 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:172:19: 168 | call iread(5,version,1) | 2 ...... 172 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:179:20: 178 | call iwrite(6,version,1) | 2 179 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:182:20: 178 | call iwrite(6,version,1) | 2 ...... 182 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:227:22: 168 | call iread(5,version,1) | 2 ...... 227 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:230:22: 168 | call iread(5,version,1) | 2 ...... 230 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:248:28: 170 | call dread(5,unita,9) | 2 ...... 248 | call dread(5,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:310:26: 180 | call dwrite(6,unita,9) | 2 ...... 310 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:463:19: 168 | call iread(5,version,1) | 2 ...... 463 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:466:19: 168 | call iread(5,version,1) | 2 ...... 466 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:419:19: 168 | call iread(5,version,1) | 2 ...... 419 | call iread(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:422:19: 168 | call iread(5,version,1) | 2 ...... 422 | call iread(2,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_v_wvfnc_new.F... c_v_wvfnc_new.F:56:20: 55 | call iwrite(6,version,1) | 2 56 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:64:20: 55 | call iwrite(6,version,1) | 2 ...... 64 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:74:24: 57 | call dwrite(6,unita,9) | 2 ...... 74 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_reformat_c_wvfnc.F... pspw_reformat_c_wvfnc.F:53:19: 52 | call iread(5,version,1) | 2 53 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:56:19: 52 | call iread(5,version,1) | 2 ...... 56 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:70:20: 69 | call iwrite(6,version,1) | 2 70 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:73:20: 69 | call iwrite(6,version,1) | 2 ...... 73 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:121:24: 54 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:125:24: 71 | call dwrite(6,unita,9) | 2 ...... 125 | call dwrite(6,dcpl_mb(cfull_out(1)),2*nfft3d_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:200:19: 52 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:203:19: 52 | call iread(5,version,1) | 2 ...... 203 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:217:20: 69 | call iwrite(6,version,1) | 2 ...... 217 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:220:20: 69 | call iwrite(6,version,1) | 2 ...... 220 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:348:19: 52 | call iread(5,version,1) | 2 ...... 348 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:351:19: 52 | call iread(5,version,1) | 2 ...... 351 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:365:20: 69 | call iwrite(6,version,1) | 2 ...... 365 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:368:20: 69 | call iwrite(6,version,1) | 2 ...... 368 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Making all in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making all in cpsp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Compiling cpsp.F... cpsp.F:1954:22: 1952 | call iread(5,psp_type,1) | 2 1953 | call iread(5,version,1) 1954 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1957:22: 1955 | call dread(5,unita,9) | 2 1956 | call cread(5,atom,2) 1957 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1958:22: 1955 | call dread(5,unita,9) | 2 ...... 1958 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1967:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1967 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1968:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1968 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1969:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1969 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1982:22: 1955 | call dread(5,unita,9) | 2 ...... 1982 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2022:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2022 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2034:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2034 | call Parallel_Brdcst_values(MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2036:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2036 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2048:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2048 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2049:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2049 | call Parallel_Brdcst_ivalues(MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2050:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2050 | call Parallel_Brdcst_ivalues(MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2061:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2061 | call Parallel_Brdcst_values(MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:113:37: 113 | call ycopy(npsp*npack0,0.0d0,0,dbl_mb(vl(1)),1) | 1 ...... 1390 | call ycopy(2*nn*nprj,0.0d0,0,zsw2,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:857:48: 771 | call C3dB_Vector_Sumall((3*ne(1)),dbl_mb(sum(1))) | 2 ...... 857 | call C3dB_Vector_SumAll((2*nn*nproj),dcpl_mb(zsw1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:964:32: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:964:50: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:1566:23: 884 | > dbl_mb(psi2_shift), npack1) | 2 ...... 1566 | > orb2, npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:736:72: 736 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:735:72: 735 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:734:72: 734 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:1106:72: 1106 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:1105:72: 1105 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:1104:72: 1104 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:1810:72: 1810 | if (occ1_tag.gt.0) occ_shift = occ1_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1609:33: 1609 | integer occ1_tag,occ1_shift,occ_shift | ^ note: 'occ1_shift' was declared here Compiling cpsp_relativistic.F... cpsp_relativistic.F:542:22: 335 | > orb2, npack1) | 2 ...... 542 | > dbl_mb(psi2_shift), npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:584:48: 294 | call C3dB_Vector_SumAll((2*nproj),dcpl_mb(zsw1u(1))) | 2 ...... 584 | call C3dB_Vector_Sumall(3*(nn),dbl_mb(sum(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:1168:34: 512 | > dbl_mb(psi1_shift), | 2 ...... 1168 | > psi1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:1394:15: 556 | > dbl_mb(psi_shift), | 2 ...... 1394 | > psi(pshftu), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:572:72: 572 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp_relativistic.F:571:72: 571 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:570:72: 570 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:839:72: 839 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp_relativistic.F:838:72: 838 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:837:72: 837 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here Compiling cpsp_projector.F... Compiling cpsp_stress.F... cpsp_stress.F:587:22: 586 | call iread(5,version,1) | 2 587 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:615:49: 605 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 615 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:249:56: 249 | integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] Compiling c_semicore.F... c_semicore.F:459:32: 436 | call ycopy(nfft3d,dbl_mb(c_G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 459 | call ycopy(nfft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_semicore_force.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Making all in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Compiling cke.F... cke.F:236:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 236 | > orb1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:237:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 237 | > orb2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:559:72: 559 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) cke.F:566:30: 460 | call Cram_cc_dot(nbq,dbl_mb(psi_shift), | 2 ...... 566 | call Cram_cc_dot(nbq,psi(1,n),psi(1,n),x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:594:72: 594 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a cke.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Making all in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Compiling c_coulomb.F... Compiling c_coulomb_screened.F... c_coulomb_screened.F:190:32: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 190 | call ycopy(nfft3d,0.0d0,0,dbl_mb(glr(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_coulomb_screened.F:577:24: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 577 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_coulomb_screened.F:609:27: 259 | call C3dB_rc_fft3f(1,dcpl_mb(gk(1))) | 2 ...... 609 | call C3dB_rc_fft3f(1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Making all in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Compiling c_electron.F... c_electron.F:1893:25: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1893:42: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1902:35: 1874 | call C3dB_r_SMul1(1,scal2,dn) | 2 ...... 1902 | call C3dB_r_SMul1(1,0.5d0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:320:28: 320 | call Cram_c_unpack(nb,dcpl_mb(tmp_r(1))) | 1 ...... 1767 | call Cram_c_unpack(nb, dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:321:31: 321 | call C3dB_cr_pfft3b(1,nb,dcpl_mb(tmp_r(1))) | 1 ...... 1769 | call C3dB_cr_pfft3b(1,nb,dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:328:20: 328 | > orb, | 1 ...... 1538 | > dbl_mb(psik_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:329:20: 329 | > dcpl_mb(tmp_r(1)), | 1 ...... 1539 | > dbl_mb(psir_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:330:20: 330 | > Horb) | 1 ...... 1540 | > dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:331:36: 331 | call Cram_c_SMul1(nb,(-1.0d0),Horb) | 1 ...... 1545 | call Cram_c_SMul1(nb,(-1.0d0),dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:1352:72: 1352 | call print_hml_tmp(ne(1),dbl_mb(hml_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:2111:26: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:2111:45: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_H.F... cpsi_H.F:173:31: 173 | > dbl_mb(Hpsi_shift)) | 1 ...... 454 | > Horb_k) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:326:29: 148 | > call C3dB_bb_Sum2(1,dbl_mb(Hpsir_shift),dcpl_mb(vpsi(1))) | 2 ...... 326 | > call C3dB_bb_Sum2(1,dcpl_mb(Horb_r(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_H.F:553:31: 437 | > orb_r, | 2 ...... 553 | > dbl_mb(psi_shift), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:154:72: 154 | if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 | ^ Warning: 'hpsir_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsi_H.F:33:46: 33 | integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 | ^ note: 'hpsir_shift' was declared here make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a c_electron.o cpsi_H.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Making all in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Compiling cpsi.F... cpsi.F:1431:72: 1431 | call c_electron_run00(nb,psi2_tag) | 1 Warning: More actual than formal arguments in procedure call at (1) cpsi.F:4070:33: 203 | > dbl_mb(rho1(1)),1) | 2 ...... 4070 | call ycopy(2*isize,0.0d0,0,H,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi.F:4247:45: 4155 | call K1dB_Vector_SumAll(2*isize,H) | 2 ...... 4247 | call K1dB_Vector_SumAll(ne(1)+ne(2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi.F:4325:50: 3204 | > mt_log,1,psi_nogrid)) | 2 ...... 4325 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling c_geodesic.F... c_geodesic.F:928:25: 402 | > dbl_mb(ynewshift)) | 2 ...... 928 | > Ynew(1+(nb-1)*nbshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1018:25: 805 | > dbl_mb(tGshift),npack1, | 2 ...... 1018 | > tG(1+(nb-1)*nbshift),npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1507:30: 392 | > dbl_mb(vtshift), | 2 ...... 1507 | > dcpl_mb(Bdag), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1523:30: 1421 | > dbl_mb(cpsi_data_get_allptr(Vt_tag)), | 2 ...... 1523 | > dcpl_mb(tmp2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1668:72: 1668 | denergy = denergy + denergyB | ^ Warning: 'denergy' is used uninitialized [-Wuninitialized] c_geodesic.F:1594:21: 1594 | real*8 denergy,denergyB,denergyA,denergyC,denergyBdag | ^ note: 'denergy' was declared here Compiling c_geodesic2.F... Compiling cpsi_lmbda.F... Compiling cpsi_lmbda2.F... cpsi_lmbda2.F:79:72: 79 | call cpsi_gen_UD(ms,nb,tmp(Bs),tmp(D)) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) cpsi_lmbda2.F:85:72: 85 | > failed) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) Compiling cpsi_KS.F... cpsi_KS.F:3326:33: 3324 | > dcpl_mb(r1(1))) | 2 3325 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(j-1)*nshift), 3326 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3327:33: 3323 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(i-1)*nshift), | 2 ...... 3327 | call Cram_c_Copy(nb,dcpl_mb(r1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3049:29: 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 ...... 3049 | call Cram_cc_dot(nb,dbl_mb(psi_ptr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3084:31: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3084 | > dcpl_mb(t0(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3241:25: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3241 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1728:72: 1728 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1733:20: 1733 | > dbl_mb(psi_ptr), | 1 ...... 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1748:36: 1748 | call Cram_c_SMul1(nb,sum,dbl_mb(psi_ptr)) | 1 ...... 2745 | call Cram_c_SMul1(nb,sum,dcpl_mb(g(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1622:72: 1622 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1202:24: 1202 | > tau_t) | 1 ...... 3238 | > dbl_mb(psi_ptr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:542:72: 542 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:618:72: 618 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:707:72: 707 | call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2679:72: 2679 | call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2700:72: 2700 | call cpsi_corrector_orb(nb,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'orb' at (1); passed REAL(8) to COMPLEX(8) Compiling BGrsm.F... BGrsm.F:113:34: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 113 | call ycopy(nsize,0.0d0,0,dbl_mb(a_shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). BGrsm.F:138:23: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 138 | call ycopy(nsize,A,1,C,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_spin2.F... Compiling c_check.F... Compiling cpsi_read.F... cpsi_read.F:102:22: 101 | call iread(5,version,1) | 2 102 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:105:22: 101 | call iread(5,version,1) | 2 ...... 105 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:115:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 114 | msglen = 3 115 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:121:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 121 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:272:48: 209 | call cpsi_data_add(psi2_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 272 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_read.F:403:22: 101 | call iread(5,version,1) | 2 ...... 403 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:406:22: 101 | call iread(5,version,1) | 2 ...... 406 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:415:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 415 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:421:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 421 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:649:22: 101 | call iread(5,version,1) | 2 ...... 649 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:652:22: 101 | call iread(5,version,1) | 2 ...... 652 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:662:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 661 | msglen = 3 662 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:668:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 668 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_write.F... cpsi_write.F:108:26: 107 | call iwrite(6,version,1) | 2 108 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:117:26: 107 | call iwrite(6,version,1) | 2 ...... 117 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:310:26: 107 | call iwrite(6,version,1) | 2 ...... 310 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:319:26: 107 | call iwrite(6,version,1) | 2 ...... 319 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:449:23: 107 | call iwrite(6,version,1) | 2 ...... 449 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:458:23: 107 | call iwrite(6,version,1) | 2 ...... 458 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:462:24: 107 | call iwrite(6,version,1) | 2 ...... 462 | call iwrite(37,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:465:24: 107 | call iwrite(6,version,1) | 2 ...... 465 | call iwrite(37,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:589:23: 107 | call iwrite(6,version,1) | 2 ...... 589 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:598:23: 107 | call iwrite(6,version,1) | 2 ...... 598 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_read.F... crho_read.F:87:25: 86 | call iread(5,version,1) | 2 87 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) crho_read.F:110:56: 101 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 110 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_write.F... crho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_new.F... Compiling v_cpsi_new.F... Compiling v_cpsi_read.F... v_cpsi_read.F:90:22: 89 | call iread(5,version,1) | 2 90 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:93:22: 89 | call iread(5,version,1) | 2 ...... 93 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:103:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 102 | msglen = 3 103 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:109:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 109 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:203:50: 185 | call cpsi_data_add(psi0_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 203 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling v_cpsi_write.F... v_cpsi_write.F:92:23: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_write.F:101:23: 91 | call iwrite(6,version,1) | 2 ...... 101 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_rho_symmetrizer.F... Compiling cpsi_printeigall.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Making all in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Compiling band_hfx.F... band_hfx.F:53:37: 41 | if (.not.btdb_get(rtdb,'band:HFX',mt_log,1,hfx_on)) | 2 ...... 53 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:588:37: 309 | call ycopy(4*nbrillq_max,0.0d0,0,dbl_mb(kw_rep1(1)),1) | 2 ...... 588 | call ycopy(2*nfft3d,0.0d0,0,Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_hfx.F:599:72: 599 | > orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_hfx.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Making all in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Compiling band_Grsm_list.F... Compiling band_lmbfgs.F... band_lmbfgs.F:86:32: 30 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 86 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:88:40: 31 | call band_Grsm_list_store(2*m-1,g) | 2 ...... 88 | call band_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:100:25: 95 | > dbl_mb(ss(1)),npack1, | 2 ...... 100 | > s,npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_lmbfgs.F:103:35: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:103:51: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Making all in borbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' Compiling borbs.F... borbs.F:447:22: 446 | call iread(5,version,1) | 2 447 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:452:22: 448 | call dread(5,unita,9) | 2 ...... 452 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:453:22: 448 | call dread(5,unita,9) | 2 ...... 453 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:494:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 494 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:501:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 501 | call Parallel_Brdcst_ivalues(MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:509:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 509 | call Parallel_Brdcst_values(MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:510:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 510 | call Parallel_Brdcst_values(MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:612:72: 612 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling borb_projector.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a borbs.o borb_projector.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making all in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Compiling band_dplot_input.F... band_dplot_input.F:304:42: 82 | value = rtdb_put(rtdb,'band_dplot:count',mt_int,1,count) | 2 ...... 304 | > mt_dbl,3,o) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling band_dplot.F... band_dplot.F:661:49: 626 | call K1dB_Vector_SumAll(nfft3d,dbl_mb(rho(1))) | 2 ...... 661 | call K1dB_Vector_SumAll(2*nfft3d,dcpl_mb(orb(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_dplot.F:1018:30: 433 | if (btdb_get(rtdb,'band_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 1018 | > mt_dbl,1,position_tolerance)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_dplot.F:895:30: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:895:38: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:928:36: 928 | call yscal(ispin*nfft3d,scal2,dn,1) | 1 ...... 1766 | call yscal(2*nfft3d,scal1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling band_dplot_iteration.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Making all in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' Compiling band_analysis.F... band_analysis.F:161:40: 138 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 161 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_analysis.F:312:44: 310 | call ycopy(nemax,0.0d0,0,dbl_mb(eig(1)),1) | 2 311 | call ycopy(nemax,0.0d0,0,dbl_mb(sum(1)),1) 312 | call ycopy(2*36*nion*nemax,0.0d0,0,dcpl_mb(a(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:333:49: 331 | call K1dB_Vector_SumAll(nemax,dbl_mb(eig(1))) | 2 332 | call K1dB_Vector_SumAll(nemax,dbl_mb(sum(1))) 333 | call K1dB_Vector_SumAll(2*36*nion*nemax,dcpl_mb(a(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:341:63: 341 | WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), | ^ Warning: 'sum_shift' may be used uninitialized [-Wmaybe-uninitialized] band_analysis.F:52:31: 52 | integer A_shift,sum_shift,psi_shift,eig_shift | ^ note: 'sum_shift' was declared here Compiling orb_pop_borb.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' Making all in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' Compiling band_APC.F... band_APC.F:55:52: 51 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 55 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling band_atom_Efield.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_APC.o band_atom_Efield.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making all in ofpw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' Compiling ofpw_energy.F... Compiling task_ofpw.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' Making all in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Compiling ofpw_minimizer.F... ofpw_minimizer.F:503:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 503 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:514:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 514 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ofpw_minimizer.F:517:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 517 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:508:72: 508 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] ofpw_minimizer.F:63:25: 63 | integer i,k,ia,nion,minimizer,mapping,mapping1d | ^ note: 'nion' was declared here Compiling ofpw_cgsd_energy.F... Compiling ofpw_cgminimize.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Making all in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Compiling ofpwsd.F... Compiling inner_loop_ofpw.F... inner_loop_ofpw.F:160:32: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 160 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(v_wgc(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). inner_loop_ofpw.F:196:34: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 196 | call ycopy(2*npack1*ispin,psi2,1,psi1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:238:44: 211 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 238 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:249:36: 234 | call D3dB_r_SMul(1,scal1,dbl_mb(rho(1)),dcpl_mb(tmp1(1))) | 2 ...... 249 | call D3dB_r_SMul(1,0.5d0,dcpl_mb(tmp1(1)),dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:255:27: 233 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 255 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling chi_lmbda.f... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Making all in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' Making all in chi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Compiling chi_read.F... chi_read.F:73:22: 72 | call iread(5,version,1) | 2 73 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:76:22: 72 | call iread(5,version,1) | 2 ...... 76 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:84:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 83 | msglen = 3 84 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:90:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 90 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_write.F... chi_write.F:86:23: 85 | call iwrite(6,version,1) | 2 86 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_write.F:89:23: 85 | call iwrite(6,version,1) | 2 ...... 89 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_new.F... Compiling chi_expander.F... chi_expander.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:72:20: 71 | call iwrite(6,version,1) | 2 72 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:75:20: 71 | call iwrite(6,version,1) | 2 ...... 75 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:100:23: 61 | call dread(5,unita,9) | 2 ...... 100 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). chi_expander.F:106:24: 73 | call dwrite(6,unita,9) | 2 ...... 106 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Making all in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Compiling chi_H.F... Compiling chi_Hv4.F... make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Making all in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Compiling v_thomasfermi.F... make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a v_thomasfermi.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Making all in WGC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' Compiling wgc.F... wgc.F:345:51: 230 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1))) | 2 ...... 345 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:346:33: 231 | call D3dB_r_notZero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 346 | call D3dB_r_notZero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:347:37: 232 | call D3dB_r_Power1(1,wgc_tune1,dbl_mb(rho1(1))) | 2 ...... 347 | call D3dB_r_Power1(1,wgc_tune1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:348:30: 233 | call D3dB_r_Zero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 348 | call D3dB_r_Zero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:350:30: 235 | call D3dB_rc_pfft3f(1,0,dbl_mb(rho1(1))) | 2 ...... 350 | call D3dB_rc_pfft3f(1,0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:351:25: 236 | call Pack_c_pack(0,dbl_mb(rho1(1))) | 2 ...... 351 | call Pack_c_pack(0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a wgc.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' Making libraries in fft make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' Making all in pfft1.0 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making all in fftpack make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Compiling dcfftb.F... Compiling scfftb.F... Compiling dcfftf.F... Compiling scfftf.F... Compiling dcffti.F... Compiling scffti.F... Compiling dcftb1.F... Compiling scftb1.F... Compiling dcftf1.F... Compiling scftf1.F... Compiling dcfti1.F... dcfti1.F:19:72: 19 | if (j.gt.4) ntry = ntry + 2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] dcfti1.F:18:22: 18 | if (j.le.4) ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling scfti1.F... scfti1.F:14:72: 14 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] scfti1.F:12:10: 12 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dpssb.F... Compiling spssb.F... Compiling dpssb2.F... dpssb2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2+wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2-wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb2.F... Compiling dpssb3.F... dpssb3.F:46:41: 33 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:47:43: 33 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:48:41: 33 | do 103 i=2,ido,2 | 2 ...... 48 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:49:43: 33 | do 103 i=2,ido,2 | 2 ...... 49 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb3.F... Compiling dpssb4.F... dpssb4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2-wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2+wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3-wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3+wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4-wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4+wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb4.F... Compiling dpssb5.F... dpssb5.F:81:43: 54 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:82:41: 54 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:83:43: 54 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:84:41: 54 | do 103 i=2,ido,2 | 2 ...... 84 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:85:43: 54 | do 103 i=2,ido,2 | 2 ...... 85 | ch(i-1,k,4) = wa3(i-1)*dr4-wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:86:41: 54 | do 103 i=2,ido,2 | 2 ...... 86 | ch(i,k,4) = wa3(i-1)*di4+wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:87:43: 54 | do 103 i=2,ido,2 | 2 ...... 87 | ch(i-1,k,5) = wa4(i-1)*dr5-wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:88:41: 54 | do 103 i=2,ido,2 | 2 ...... 88 | ch(i,k,5) = wa4(i-1)*di5+wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb5.F... Compiling dpssf.F... Compiling spssf.F... Compiling dpssf2.F... dpssf2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2-wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2+wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf2.F... Compiling dpssf3.F... dpssf3.F:44:41: 31 | do 103 i=2,ido,2 | 2 ...... 44 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:45:43: 31 | do 103 i=2,ido,2 | 2 ...... 45 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:46:41: 31 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:47:43: 31 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf3.F... Compiling dpssf4.F... dpssf4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2+wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2-wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3+wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3-wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4+wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4-wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf4.F... Compiling dpssf5.F... dpssf5.F:76:43: 49 | do 103 i=2,ido,2 | 2 ...... 76 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:77:41: 49 | do 103 i=2,ido,2 | 2 ...... 77 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:78:43: 49 | do 103 i=2,ido,2 | 2 ...... 78 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:79:41: 49 | do 103 i=2,ido,2 | 2 ...... 79 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:80:43: 49 | do 103 i=2,ido,2 | 2 ...... 80 | ch(i-1,k,4) = wa3(i-1)*dr4+wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:81:41: 49 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i,k,4) = wa3(i-1)*di4-wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:82:43: 49 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i-1,k,5) = wa4(i-1)*dr5+wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:83:41: 49 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i,k,5) = wa4(i-1)*di5-wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf5.F... Compiling drfftb.F... Compiling srfftb.F... Compiling drfftf.F... Compiling srfftf.F... Compiling drffti.F... Compiling srffti.F... Compiling drftb1.F... Compiling srftb1.F... Compiling drftf1.F... Compiling srftf1.F... Compiling drfti1.F... Compiling srfti1.F... srfti1.F:16:72: 16 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] srfti1.F:14:10: 14 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dradb2.F... dradb2.F:33:44: 28 | do i = 1, (ido - 1)/2 | 2 ...... 33 | ch(i*2,k,2) = wa1(i*2-1)*tr2 - wa1(i*2)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb2.F:34:46: 28 | do i = 1, (ido - 1)/2 | 2 ...... 34 | ch(1+i*2,k,2) = wa1(i*2-1)*ti2 + wa1(i*2)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb2.F... Compiling dradb3.F... dradb3.F:46:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:47:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:48:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:49:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 49 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb3.F... Compiling dradb4.F... dradb4.F:54:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 54 | ch(i*2,k,2) = wa1(i*2-1)*cr2 - wa1(i*2)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:55:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 55 | ch(1+i*2,k,2) = wa1(i*2-1)*ci2 + wa1(i*2)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:56:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 56 | ch(i*2,k,3) = wa2(i*2-1)*cr3 - wa2(i*2)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:57:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 57 | ch(1+i*2,k,3) = wa2(i*2-1)*ci3 + wa2(i*2)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:58:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 58 | ch(i*2,k,4) = wa3(i*2-1)*cr4 - wa3(i*2)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:59:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 59 | ch(1+i*2,k,4) = wa3(i*2-1)*ci4 + wa3(i*2)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb4.F... Compiling dradb5.F... dradb5.F:71:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 71 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:72:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 72 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:73:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 73 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:74:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 74 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:75:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 75 | ch(i*2,k,4) = wa3(i*2-1)*dr4 - wa3(i*2)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:76:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 76 | ch(1+i*2,k,4) = wa3(i*2-1)*di4 + wa3(i*2)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:77:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 77 | ch(i*2,k,5) = wa4(i*2-1)*dr5 - wa4(i*2)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:78:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 78 | ch(1+i*2,k,5) = wa4(i*2-1)*di5 + wa4(i*2)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb5.F... Compiling dradbg.F... Compiling sradbg.F... Compiling dradf2.F... dradf2.F:29:44: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf2.F:30:46: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 30 | ti2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf2.F... Compiling dradf3.F... dradf3.F:32:44: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:33:46: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 33 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:34:44: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 34 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:35:46: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 35 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf3.F... Compiling dradf4.F... dradf4.F:36:44: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:37:46: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 37 | ci2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:38:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 38 | cr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:39:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 39 | ci3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:40:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 40 | cr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:41:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 41 | ci4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf4.F... Compiling dradf5.F... dradf5.F:41:44: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:42:46: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 42 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:43:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 43 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:44:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 44 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:45:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 45 | dr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:46:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | di4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:47:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | dr5 = wa4(i*2-1)*cc(i*2,k,5) + wa4(i*2)*cc(1+i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:48:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | di5 = wa4(i*2-1)*cc(1+i*2,k,5) - wa4(i*2)*cc(i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf5.F... Compiling dradfg.F... Compiling sradfg.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Making all in pfft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' Compiling blktrn.F... Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... Compiling mapchk.F... Compiling prlst2.F... Compiling xstop.F... Compiling pairup.F... Compiling gexit.F... Compiling igdiff.F... Compiling lstcnt.F... Compiling lstind.F... Compiling pfft.F... Compiling pfft3d.F... Compiling prfft3.F... Compiling prfft.F... Compiling prffti.F... Compiling chk3d.F... Compiling mfftc1.F... Compiling mfftr1.F... Compiling mcfftr.F... Compiling mrfftr.F... Compiling pfft1i.F... Compiling pfft1.F... Compiling wrkspc2.F... make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making all in pfftwrap make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' Compiling nwfft3d.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a nwfft3d.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' Making libraries in python make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' Compiling python_input.F... Compiling task_python.c... task_python.c: In function 'task_python_': task_python.c:43:4: warning: 'Py_SetProgramName' is deprecated [-Wdeprecated-declarations] 43 | Py_SetProgramName(nwprogram); | ^~~~~~~~~~~~~~~~~ In file included from /usr/include/python3.11/Python.h:94, from task_python.c:1: /usr/include/python3.11/pylifecycle.h:37:38: note: declared here 37 | Py_DEPRECATED(3.11) PyAPI_FUNC(void) Py_SetProgramName(const wchar_t *); | ^~~~~~~~~~~~~~~~~ Compiling nwchem_wrap.c... nwchem_wrap.c:1800:18: warning: 'error_out' defined but not used [-Wunused-function] 1800 | static PyObject* error_out(PyObject *m) { | ^~~~~~~~~ Compiling nw_inp_from_string.c... nw_inp_from_string.c: In function 'nw_inp_from_string': nw_inp_from_string.c:33:10: warning: unused variable 'fstring' [-Wunused-variable] 33 | char fstring[255]; | ^~~~~~~ make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' Making libraries in analyz make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' Compiling ana_angle.F... Compiling ana_atrad.F... Compiling ana_bond.F... Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... ana_define.F:90:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 90 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ana_define.F:160:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 160 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ana_diel.F... Compiling ana_esppt.F... Compiling ana_finish.F... Compiling ana_groups.F... ana_groups.F:431:72: 431 | xa(1)=xa(1)+x(ia,1) | ^ Warning: 'xa[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[0]' was declared here ana_groups.F:444:72: 444 | xb(3)=xb(3)+x(ia,3) | ^ Warning: 'xb[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[2]' was declared here ana_groups.F:442:72: 442 | xb(1)=xb(1)+x(ia,1) | ^ Warning: 'xb[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[0]' was declared here ana_groups.F:432:72: 432 | xa(2)=xa(2)+x(ia,2) | ^ Warning: 'xa[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[1]' was declared here ana_groups.F:433:72: 433 | xa(3)=xa(3)+x(ia,3) | ^ Warning: 'xa[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[2]' was declared here ana_groups.F:443:72: 443 | xb(2)=xb(2)+x(ia,2) | ^ Warning: 'xb[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[1]' was declared here Compiling ana_hbond.F... Compiling ana_index.F... Compiling ana_init.F... Compiling ana_inirms.F... Compiling ana_initx.F... Compiling ana_input.F... Compiling ana_pltgrd.F... ana_pltgrd.F:159:29: 157 | call ga_brdcst(mag_d01,x,3*nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 158 | call ga_brdcst(mag_d02,xmin,3*ma_sizeof(mt_dbl,1,mt_byte),0) 159 | call ga_brdcst(mag_d03,ngrd,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling ana_rama.F... Compiling ana_rdhdr.F... Compiling ana_rdf.F... Compiling ana_rdfram.F... ana_rdfram.F:194:29: 193 | call ga_brdcst(mag_d03,succes,ma_sizeof(mt_log,1,mt_byte),0) | 2 194 | call ga_brdcst(mag_d04,ix,msa*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ana_rdref.F... Compiling ana_rdtop.F... ana_rdtop.F:165:29: 163 | call ga_brdcst(mag_d02,ltop,ma_sizeof(mt_log,1,mt_byte),0) | 2 164 | if(ltop) then 165 | call ga_brdcst(mag_d01,qs,nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling ana_report.F... ana_report.F:135:58: 135 | + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) | ^ Warning: 'timf' may be used uninitialized [-Wmaybe-uninitialized] ana_report.F:71:40: 71 | real*8 ctime,ptime,dtime,timi,timf | ^ note: 'timf' was declared here Compiling ana_rmsdev.F... Compiling ana_rtdbin.F... Compiling ana_select.F... Compiling ana_sizref.F... Compiling ana_tag.F... ana_tag.F:124:29: 123 | call ga_brdcst(mag_d06,byte_mb(i_tag),48*nsa,0) | 2 124 | call ga_brdcst(mag_d06,dbl_mb(i_tag),16*nsa,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling ana_task.F... ana_task.F:1004:72: 1004 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1234:72: 1234 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1303:72: 1303 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ana_torsion.F... Compiling ana_wtfram.F... Compiling ana_wthdr.F... Compiling ana_wrtpdb.F... Compiling ana_wrtxyz.F... Compiling ana_xaver.F... Compiling ana_covar.F... Compiling analyz.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' Making libraries in nwmd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' Compiling nwmd.F... Compiling md_start.F... md_start.F:1986:7: 1717 | call md_abort('Unable to read restart file in md_rest ',me) | 2 ...... 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(24)/INTEGER(8)). md_start.F:1986:72: 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: More actual than formal arguments in procedure call at (1) md_start.F:954:52: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 954 | if(.not.rtdb_get(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_start.F:986:50: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 986 | if(.not.rtdb_get(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1323:44: 1323 | if(nserie.gt.0) call md_rdrest(lfnrst,filrst) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_start.F:1330:17-30: 1330 | nbytes=loc(inp_ptr)-loc(ptol) | 2 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1333:29: 1331 | call ga_brdcst(mrg_d36,ptol,nbytes,0) | 2 1332 | nbytes=7*ma_sizeof(mt_int,1,mt_byte) 1333 | call ga_brdcst(mrg_d37,npx,nbytes,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_start.F:319:72: 319 | root=filnam(1:ibl)//gid | ^ Warning: 'ibl' may be used uninitialized [-Wmaybe-uninitialized] md_start.F:12:21: 12 | integer iun,ibl | ^ note: 'ibl' was declared here Compiling md_input.F... md_input.F:1849:52: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1849 | if(.not.rtdb_put(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_input.F:1881:50: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1881 | if(.not.rtdb_put(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_input.F:1889:54: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1889 | if(.not.rtdb_put(irtdb,'md:itime',mt_int,mtimes,itime)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_main.F... md_main.F:1608:57: 1608 | if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1310:28: 1310 | call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:2076:27: 2076 | call ga_dgop(mrg_d45,dmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:854:27: 854 | call ga_dgop(mrg_d08,fnorm1,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:898:27: 898 | call ga_dgop(mrg_d09,ypa,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:899:27: 899 | call ga_dgop(mrg_d10,pnorm,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1002:27: 1002 | call ga_dgop(mrg_d11,ypb,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1070:27: 1070 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1126:27: 1126 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1160:27: 1160 | call ga_dgop(mrg_d13,fnorm2,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1203:28: 1203 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:647:28: 647 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:3071:39: 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 ...... 3071 | if(np.gt.1) call ga_dgop(mrg_d49,mm,msm,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_main.F:2699:39: 2699 | if(np.gt.1) call ga_dgop(mrg_d06,pmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling md_finish.F... Compiling prp_init.F... Compiling prp_main.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' Making libraries in cafe make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' Compiling cf_d.F... Compiling cf_fp.F... cf_f.fh:1984:72: 1984 | qsa2(i)=chg(isq2(i),1,lseq(isgm(i))) | ^ Warning: 'MEM[(integer(kind=8)[0:D.9092] *)_2236][_31]' may be used uninitialized [-Wmaybe-uninitialized] Compiling cf_f.F... cf_f.fh:4668:13: 4668 | elseif(isrx.lt.0) then | ^ Warning: 'isrx' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4551:57: 4551 | integer i,j,ist,isa,jsa,isf,jsf,isad,istt,jstt,isrx | ^ note: 'isrx' was declared here Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_forcep.F... Compiling cf_hopping.F... Compiling cf_induce.F... Compiling cf_init.F... cf_init.F:520:28: 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 519 | call ga_brdcst(mcf_61,jpmf,4*numpmf*npmfa*lenint,0) 520 | call ga_brdcst(mcf_62,rpmf,18*numpmf*lendbl,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_init.F:267:28: 267 | call ga_brdcst(mcf_55,ndrs,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:335:28: 335 | call ga_brdcst(mcf_75,nbias,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:2133:72: 2133 | rlam(1)=one-rlam(1) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2135:72: 2135 | rlam(3)=one-rlam(3) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here Compiling cf_list.F... Compiling cf_main.F... cf_main.F:3457:29: 2990 | call ga_brdcst(mrg_d47,itarget,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 3457 | call ga_brdcst(mrg_d47,fact,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2066:58: 1714 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2066 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2067:21: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2067:51: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2068:7: 1716 | + dbl_mb(i_sti),lseq) | 2 ...... 2068 | + int_mb(i_lseq)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cf_main.F:2075:7: 1754 | call cf_fsh(1,it,1,3,ip,rpmf(1,1,i),rv,3,4, | 2 ...... 2075 | + dbl_mb(i_rub(2)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2076:12: 1755 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2076 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:2085:7: 1796 | call cf_fsd(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2085:21: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2085:51: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2093:7: 1802 | call cf_fso(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2093:21: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2093:51: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:1395:26: 1395 | call ga_dgop(mcf_44,fnorm,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1396:26: 1396 | call ga_dgop(mcf_45,fmax,1,'max') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:128:26: 128 | call ga_dgop(mcf_34,wbox,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1005:26: 1005 | call ga_dgop(mcf_40,ewk,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_pairs.F... Compiling cf_pbc.F... Compiling cf_rdgeom.F... cf_rdgeom.F:162:28: 131 | call ga_brdcst(mcf_01,idata,16*numbi,0) | 2 ...... 162 | call ga_brdcst(mcf_03,dbl_mb(i_mas),6*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cf_shake.F... Compiling cf_grid.F... Compiling cf_rdtop.F... cf_rdtop.F:356:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 356 | call ga_brdcst(mcf_03,dbl_mb(i_mas),mset*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_rdtop.F:472:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 472 | call ga_brdcst(mcf_69,iffld,numbi,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_uhop.F... Compiling pme_init.F... Compiling pme_fft.F... Compiling pme_grid.F... pme_grid.F:522:49: 361 | + jlsl+maxy-1,grid(minx,miny,k),mgrx) | 2 ...... 522 | call ga_get(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:49: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:57: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:329:7: 329 | + grid(1,1),mgrx) | 1 ...... 486 | call ga_put(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' Making libraries in space make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' Compiling sp_init.F... sp_init.F:4060:54: 4047 | call ga_put(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4060 | call ga_put(ga_w,ilw,ilw+nwmn-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4082:28: 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 4082 | call ga_brdcst(msp_13,rtemp,12*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4109:56: 4097 | call ga_get(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4109 | call ga_get(ga_w,ilw,ilw+nwmloc-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:1199:28: 1199 | call ga_brdcst(msp_28,ndums,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:3032:28: 3032 | call ga_brdcst(msp_10,npp,nbytes,0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2091:26: 2091 | call ga_igop(msp_29,nrempr,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1714:38: 1714 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1871:38: 1871 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:455:38: 455 | if(np.gt.1) call ga_igop(msp_07,mbox,1,'max') | 1 ...... 2943 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:126:28: 126 | call ga_brdcst(msp_02,nsm,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4081 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2240:35: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_init.F:2240:43: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling sp_main.F... sp_main.F:3870:15: 3726 | call ga_brdcst(msp_16,nen(1,1),np*intsiz,0) | 2 ...... 3870 | + (msp_19,boxsiz,ma_sizeof(mt_dbl,3*maxbox,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:3397:7: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3397:23: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:51: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:69: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:2895:7: 2880 | + isga(ndxda+1),msa) | 2 ...... 2895 | + xs(ndxda+1,1),msa) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:2187:7: 2180 | + iwl(indexw,1),mwm,handle_iw) | 2 ...... 2187 | + xw(indexw,1,1),mwm,handle_w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:706:43: 694 | call ga_put(ga_ip,il,ih,jl,jh,ipl,mbox) | 2 ...... 706 | call ga_put(ga_w,il,ih,jl,jl+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:1986:26: 1986 | call ga_igop(msp_23,nfold,1,'+') | 1 ...... 3585 | call ga_igop(msp_14,nlst,2*npp,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a sp_init.o sp_main.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' Making libraries in drdy make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' Compiling atsym.F... Compiling drdy.F... Compiling drdy_input.F... drdy_input.F:113:55: 110 | if (.not. rtdb_put(rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 113 | if (.not. rtdb_put(rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling Input_for_drdy.F... Compiling drdy_synch.F... Compiling read_drdy_rtdb.F... Compiling rgener.F... Compiling ratoms.F... Compiling rstat.F... Compiling rpath.F... Compiling rgeom.F... Compiling rgsad.F... Compiling rphwrt.F... Compiling drdy_sort.F... Compiling react.F... Compiling potset_nwchem.F... Compiling trans.F... Compiling tranf.F... Compiling drdy_center.F... Compiling rotx.F... Compiling moiten.F... Compiling pot2.F... Compiling rotmat.F... Compiling rotg.F... Compiling rotf.F... Compiling restor.F... Compiling drdy_nwc_get.F... drdy_nwc_get.F:24:55: 16 | if (.not.rtdb_get(rtdb,'task:status', mt_log, 1, task_status)) | 2 ...... 24 | if (.not.rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling react2.F... Compiling saddle.F... Compiling setpth.F... Compiling diagf.F... Compiling pmlqsp.F... Compiling mxlneq.F... Compiling pmclqa.F... Compiling path.F... Compiling path2.F... Compiling pot1.F... Compiling euler.F... Compiling pmlqa.F... Compiling dsdt.F... Compiling rsp.F... Compiling pmcube.F... Compiling fdiag.F... Compiling potsp.F... Compiling projct.F... Compiling pythag.F... Compiling getstr.F... Compiling io.F... Compiling sumout.F... Compiling wfiles.F... Compiling nwc_gen.F... nwc_gen.F:78:59: 74 | if (.not. rtdb_get(my_rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 78 | if (.not.rtdb_get(my_rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). nwc_gen.F:89:24: 83 | call ycopy(n3,x,1,dx,1) ! temporary use of dx | 2 ...... 89 | call ycopy(3*n3,0.d0,0,velocities,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' Making libraries in vscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' Compiling vscf_input.F... vscf_input.F:75:55: 43 | if (.not. rtdb_put(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 2 ...... 75 | if (.not. rtdb_put(rtdb,'vscf:vcfct',mt_dbl,1,vcfct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling vscf.F... vscf.F:600:55: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 600 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:697:60: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 697 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:793:30: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 793 | & mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:2670:54: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 2670 | if (.not. rtdb_get(rtdb,'vscf:restart',mt_log,1,restart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vscf.F:2165:29: 2165 | CALL ga_brdcst(msg_ns3,nstart,7*ma_sizeof(mt_int,1,mt_byte), | 1 ...... 2647 | CALL ga_brdcst(msg_diagv,diag_exists, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). vscf.F:186:56: 186 | if (.not. rtdb_put(rtdb,'vscf:restart',mt_log,1,restart)) | 1 ...... 594 | if (.not.rtdb_put(rtdb,'prop:dipole',mt_int,1,0)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a vscf_input.o vscf.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' Making libraries in qmmm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' Compiling qmmm.F... Compiling task_qmmm_gradient.F... task_qmmm_gradient.F:283:50: 126 | $ numerical)) numerical = .false. | 2 ...... 283 | if(.not.rtdb_get(irtdb,"neb:ibead",mt_int,1,ibead)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_gradient.F:817:25: 198 | if (.not. rtdb_put(rtdb,'qmmm:bq_nuc_energy',mt_dbl,1,ebq)) | 2 ...... 817 | > mt_int,nact,int_mb(i_cons))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_gradient.F:389:20: 189 | call dfill(3*nfg,0,dbl_mb(i_g),1) | 2 ...... 389 | call dfill(na,0.0d0,dbl_mb(i_q),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mm_interface.F... mm_interface.F:2716:35: 2716 | call ga_dgop(msg_qmmm_forcew,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:2717:32: 2717 | call ga_dgop(msg_qmmm_nqm,ntot,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mm_interface.F:3306:34: 3306 | call ga_dgop(msg_qmmm_force,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:3967:11: 441 | call ga_brdcst(msg_qmmm_misc,mm_read_frame, | 2 ...... 3967 | > ns, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_interface.F:2873:72: 2873 | j1=(j-1)*mwa+m | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] mm_interface.F:2852:17: 2852 | integer i,j,k,m,j1,ioff | ^ note: 'j' was declared here Compiling qmmm_link.F... Compiling qmmm_data.F... qmmm_data.F:111:72: 111 | + call errquit(pname//'failed to get bqzone from mm',0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) qmmm_data.F:126:43: 33 | if(.not.rtdb_get(irtdb,'charge',mt_dbl,1,qcharge)) then | 2 ...... 126 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_data.F:127:45: 95 | if (.not.rtdb_put(irtdb,"qmmm:uqmatm",mt_dbl,1,eatoms)) | 2 ...... 127 | if (.not.rtdb_put(irtdb,tag,mt_int,1,bq_exclude)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmmm_lbfgsb.F... qmmm_lbfgsb.F:112:56: 103 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 2 ...... 112 | if (.not. rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_lbfgsb.F:322:72: 322 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_6' at (1) Compiling qmmm_utils.F... qmmm_utils.F:105:72: 105 | do i=1,im | ^ Warning: 'im' may be used uninitialized [-Wmaybe-uninitialized] qmmm_utils.F:101:16: 101 | integer im | ^ note: 'im' was declared here Compiling task_qmmm_energy.F... task_qmmm_energy.F:1051:32: 1024 | if (.not. rtdb_get(rtdb, 'qmmm:active_region', mt_log,1,oregion)) | 2 ...... 1051 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_energy.F:604:54: 604 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 1 ...... 1099 | if (.not. rtdb_put(rtdb,'qmmm:energy',mt_dbl,1,energy/cau2kj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmmm_main.F... qmmm_main.F:72:54: 42 | if (.not. rtdb_get(inrtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 72 | if (.not.rtdb_get(inrtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmmm_check_forces.F... qmmm_check_forces.F:100:56: 47 | > mt_int,1,nregion)) | 2 ...... 100 | if (.not. rtdb_get(rtdb,'md:energy', mt_dbl, 1, e0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmmm_bq.F... qmmm_bq.F:66:34: 42 | > mt_dbl,3*n,c)) | 2 ...... 66 | > mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmmm_esp.F... qmmm_esp.F:182:36: 90 | if(.not.rtdb_put(rtdb,'esp:newgrd',mt_int,1,1)) | 2 ...... 182 | > mt_dbl,nqm,dbl_mb(i_q_qm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_esp.F:605:34: 69 | if(.not.rtdb_get(rtdb,'qmmm:readesp',mt_log,1,readesp)) | 2 ...... 605 | > mt_dbl,n,dbl_mb(i_epot))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmmm_cons.F... qmmm_cons.F:230:28: 89 | if (.not. rtdb_get(irtdb,'qmmm:fixsolvent',mt_log,1,fixw)) | 2 ...... 230 | + mt_int,nr,int_mb(i_ires))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmmm_geom.F... qmmm_geom.F:703:28: 703 | > 0, | 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) qmmm_geom.F:82:34: 82 | > mt_int,1,nregion)) | 1 ...... 695 | > mt_log,1,update)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_geom.F:268:39: 268 | call ga_brdcst(msg_qmmm_misc, ofile, | 1 ...... 483 | > byte_mb(i_t), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/CHARACTER(*)). qmmm_geom.F:1052:27: 243 | if(.not.rtdb_put(irtdb,'neb:custom_path',mt_log,1,custom_path)) | 2 ...... 1052 | + 3*n,dbl_mb(i_gt))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). qmmm_geom.F:1085:72: 1085 | + call errquit('qmmm: Failed to print geometry',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) Compiling qmmm_bq_data.F... qmmm_bq_data.F:66:26: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 ...... 198 | + call errquit(pname//'Failed bq_pset',0,CALC_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(32)/INTEGER(8)). qmmm_bq_data.F:66:72: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling task_qmmm_optimize.F... task_qmmm_optimize.F:173:32: 166 | > mt_dbl,1,etol)) | 2 ...... 173 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_optimize.F:687:28: 166 | > mt_dbl,1,etol)) | 2 ...... 687 | + 2,rb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_optimize.F:608:58: 608 | if (.not. rtdb_put(rtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 ...... 767 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling task_qmmm_dynamics.F... task_qmmm_dynamics.F:110:28: 102 | > mt_int,1,nregion)) | 2 ...... 110 | $ 1, oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). task_qmmm_dynamics.F:44:57: 44 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 265 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmmm_output.F... qmmm_output.F:70:43: 70 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 ...... 147 | if (.not.rtdb_get(irtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mm_utils.F... Compiling qmmm_input.F... qmmm_input.F:550:44: 550 | if (.not.rtdb_put(rtdb,tag,mt_int,1,itok)) | 1 ...... 808 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_input.F:627:28: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 ...... 831 | 998 call errquit(pname//'no token found '//token,0, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(7)/INTEGER(8)). qmmm_input.F:627:72: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling qmmm_pes.F... qmmm_pes.F:112:28: 104 | + 1,ncycles)) | 2 ...... 112 | + 2,rb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmmm_property.F... Compiling task_qmmm_fep.F... task_qmmm_fep.F:1000:58: 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 ...... 1000 | if (.not.rtdb_get(rtdb,"qmmm:trajectory_n",mt_int,3,trn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_fep.F:326:56: 326 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:60:32: 60 | > mt_int,1,nregion)) | 1 ...... 1039 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_fep.F:147:56: 147 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:828:72: 828 | tsum = taver*ns | ^ Warning: 'taver' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:791:28: 791 | double precision taver | ^ note: 'taver' was declared here task_qmmm_fep.F:903:72: 903 | de(n) = -kb_au*tav*log(fsum(n)/(in+nf0)) | ^ Warning: 'nf0' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:786:23: 786 | integer in,nf,nf0 | ^ note: 'nf0' was declared here Compiling task_qmmm_abc.F... task_qmmm_abc.F:355:34: 250 | > mt_dbl,1,eref)) then | 2 ...... 355 | $ mt_log,1,oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:369:62: 268 | > mt_dbl,1,eref)) | 2 ...... 369 | if (.not. rtdb_put(rtdb, 'qmmm:active_region', mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:119:11: 119 | > fn, | 1 ...... 295 | call ga_brdcst(msg_qmmm_misc,ostatus, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' Making libraries in qmd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' Compiling qmd_init.F... qmd_init.F:86:55: 78 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 86 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmd_driver.F... qmd_driver.F:135:55: 132 | if(.not.rtdb_get(rtdb,'qmd:cavity',mt_log,1,do_cavity)) | 2 ...... 135 | if(.not.rtdb_get(rtdb,'qmd:cavity_axis',mt_dbl,3,cavity_axis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmd_main.F... qmd_main.F:109:52: 107 | if(.not.rtdb_get(irtdb,'task:gradient',mt_dbl,3*msa,buf)) | 2 108 | + call errquit('qmd_f: rtdb_get gradient failed',0, RTDB_ERR) 109 | if(.not.rtdb_get(irtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_input.F... qmd_input.F:67:55: 62 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 67 | if (.not.rtdb_put(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmd_input.F:406:52: 400 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) then | 2 ...... 406 | if (.not.rtdb_get(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_start.F... Compiling task_qmd.F... Compiling qmd_nucl_dt2.F... Compiling qmd_nucl_dt.F... Compiling qmd_gradient.F... qmd_gradient.F:43:51: 41 | if(.not.rtdb_get(rtdb,'task:gradient',mt_dbl,3*nat,g)) | 2 42 | & call errquit(pname//'rtdb_get gradient',0,RTDB_ERR) 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_geom_store.F... Compiling qmd_thermostat.F... Compiling qmd_kinetic.F... Compiling qmd_write_trj.F... Compiling qmd_write_rst.F... Compiling qmd_ran1.F... Compiling qmd_gasdev.F... Compiling qmd_randomize.F... Compiling qmd_nucl_pos.F... Compiling qmd_nucl_vel.F... Compiling qmd_read_rst.F... Compiling qmd_gamdev.F... Compiling qmd_sumno.F... Compiling qmd_fix_momentum.F... Compiling qmd_freeze_inactive.F... Compiling qmd_cavity.F... Compiling qmd_energy.F... Compiling qmd_coup.F... Compiling qmd_move_civecs.F... Compiling qmd_elec_prop.F... Compiling qmd_tdks_enmo.F... qmd_tdks_enmo.F:302:49: 294 | if(.not. rtdb_put(rtdb,'dft:swap alpha',mt_int,2,swap)) | 2 ...... 302 | if(.not.rtdb_put(rtdb,'dft:noscf',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). qmd_tdks_enmo.F:43:51: 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,en(1))) | 1 ...... 129 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_tddft_enmo.F... qmd_tddft_enmo.F:70:50: 70 | if(.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,en(1))) | 1 ...... 147 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_namd_init.F... qmd_namd_init.F:72:49: 68 | if (.not.rtdb_get(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 72 | if (.not.rtdb_get(rtdb,'qmd:deco',mt_log,1,deco)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmd_namd_input.F... qmd_namd_input.F:46:52: 41 | if (.not.rtdb_put(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 46 | if (.not.rtdb_put(rtdb,'qmd:nstates',mt_int,1,nstates)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmd_set_den.F... Compiling qmd_coords_vels.F... Compiling qmd_civecs_read.F... Compiling qmd_property.F... Compiling qmd_ext.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o qmd_ext.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' Making libraries in etrans make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' Compiling et_calc.F... et_calc.F:632:53: 620 | if (.not. rtdb_get(rtdb, 'et:tol2e', MT_DBL, 1, tol2e)) then | 2 ...... 632 | if (.not.rtdb_get(rtdb,'et:method_2e',MT_INT,1,method_2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling et_calc_fmo.F... Compiling et_fmo_util.F... Compiling et_input.F... et_input.F:51:60: 41 | if (.not. rtdb_put(rtdb,'et:tol2e', MT_DBL, 1, tol2e)) | 2 ...... 51 | if (.not. rtdb_put(rtdb,'et:method_2e', MT_INT, 1, method_2e)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling et_det.F... Compiling et_2e.F... Compiling et_movecs_read.F... et_movecs_read.F:106:43: 102 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 ...... 106 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob_nbf, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling et_vectors_inp.F... Compiling et_fock.F... Compiling et_dens_prod.F... Compiling et_omega2_mult.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' Making libraries in tce make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' /bin/sh: line 1: bc: command not found Compiling tce_input.F... tce_input.F:149:54: 149 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 1 ...... 1807 | if (.not.rtdb_put(rtdb,'tce:lineresp',mt_log,1,lineresp)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tce_init.F... tce_init.F:142:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 142 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init.F:284:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 284 | if (.not.rtdb_put(rtdb,'tce:zlshift2',mt_dbl,2,zlshift2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:290:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 290 | if (.not.rtdb_put(rtdb,'tce:zlshift3',mt_dbl,2,zlshift3)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:315:54: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 315 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init.F:500:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 500 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:512:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 512 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:527:53: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 527 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:583:33: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 583 | & mt_log,4,restart_ignore_failure)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:593:15: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 593 | 1 save_integrals)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:604:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 604 | if (.not.rtdb_get(rtdb,'tce:save_t',mt_log,4,save_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:611:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 611 | if (.not.rtdb_get(rtdb,'tce:save_l',mt_log,4,save_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:618:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 618 | if (.not.rtdb_get(rtdb,'tce:save_tr',mt_log,8,save_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:626:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 626 | if (.not.rtdb_get(rtdb,'tce:save_lr',mt_log,8,save_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:633:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 633 | if (.not.rtdb_get(rtdb,'tce:save_x',mt_log,4,save_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:641:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 641 | if (.not.rtdb_get(rtdb,'tce:save_y',mt_log,4,save_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:677:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 677 | if (.not.rtdb_get(rtdb,'tce:read_t',mt_log,4,read_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:684:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 684 | if (.not.rtdb_get(rtdb,'tce:read_l',mt_log,4,read_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:691:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 691 | if (.not.rtdb_get(rtdb,'tce:read_tr',mt_log,8,read_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:699:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 699 | if (.not.rtdb_get(rtdb,'tce:read_lr',mt_log,8,read_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:707:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 707 | if (.not.rtdb_get(rtdb,'tce:read_x',mt_log,4,read_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:715:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 715 | if (.not.rtdb_get(rtdb,'tce:read_y',mt_log,4,read_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:890:57: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 890 | if (.not.rtdb_put(rtdb,'tce:qrot',mt_dbl,anumrot,arot)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_energy.F... tce_energy.F:605:15: 594 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 605 | 1 read_integrals)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tce_energy.F:612:17: 596 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 612 | 1 read_integrals)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling tce_energy_fragment.F... tce_energy_fragment.F:70:56: 60 | if (.not.rtdb_get(rtdb,'fragment:dipole',mt_log,1,dipole)) | 2 ...... 70 | if (.not.rtdb_get(rtdb,'fragment:radius',mt_dbl,1,radius)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' /bin/sh: line 1: bc: command not found Compiling tce_tile.F... tce_tile.F:207:50: 175 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 207 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_tile.F:357:72: 357 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile.F:68:23: 68 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_ao1e.F... Compiling tce_mo1e.F... Compiling tce_ao2e.F... Compiling tce_filename.F... Compiling createfile.F... Compiling deletefile.F... deletefile.F:22:17: 22 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling reconcilefile.F... Compiling dratoga.F... Compiling gatodra.F... Compiling gatoeaf.F... Compiling get_block.F... get_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] get_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling put_block.F... put_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] put_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling add_block.F... add_block.F:76:72: 76 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] add_block.F:29:17: 29 | integer i,j | ^ note: 'j' was declared here Compiling tce_tidy.F... Compiling sf_test.F... Compiling hbar.F... Compiling tce_mo2e.F... Compiling tce_mo1e_offset.F... Compiling tce_mo2e_offset.F... Compiling tce_e_offset.F... Compiling tce_guess_t1.F... Compiling tce_guess_t2.F... Compiling tce_zero.F... Compiling tce_print_x1.F... Compiling tce_print_x2.F... Compiling tce_residual_t1.F... Compiling tce_residual_t2.F... Compiling tce_residual_t3.F... Compiling tce_residual_t4.F... Compiling ma_pack.F... Compiling sf_print.F... Compiling ma_print_compact.F... Compiling ma_scale.F... Compiling copyfile.F... Compiling ddotfile.F... Compiling daxfile.F... Compiling daxpyfile.F... Compiling dscalfile.F... Compiling tce_aod1.F... Compiling tce_nud1.F... Compiling tce_mod1.F... Compiling tce_mod1_offset.F... Compiling sym_abelian_axis.F... Compiling tce_mod1_new.F... tce_mod1_new.F:173:24: 89 | if (debugprint) call ga_print(g_aod1) | 2 ...... 173 | call ga_print(d_mod1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_mod1_offset_new.F... Compiling tce_eom_init.F... Compiling tce_eom_tidy.F... Compiling tce_eom_xdiagon.F... Compiling tce_eom_ydiagon.F... Compiling tce_t1_offset.F... Compiling tce_t2_offset.F... Compiling tce_t3_offset.F... Compiling tce_t4_offset.F... Compiling tce_x1_offset.F... Compiling tce_x2_offset.F... Compiling tce_x3_offset.F... Compiling tce_x4_offset.F... Compiling tce_y1_offset.F... Compiling tce_y2_offset.F... Compiling tce_y3_offset.F... Compiling tce_y4_offset.F... Compiling tce_mbpt2.F... Compiling tce_restricted.F... Compiling tce_hash.F... Compiling get_hash_block.F... Compiling put_hash_block.F... Compiling add_hash_block.F... Compiling tce_residual_t3a.F... Compiling tce_t3a_offset.F... Compiling tce_x3a_offset.F... Compiling tce_cholesky.F... tce_cholesky.F:58:53: 50 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 58 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_ao2e_cholesky.F... Compiling tce_ao2e_cholesky_2d.F... Compiling tce_ao2e_cholesky_4d.F... Compiling e2_offset_2_offset.F... Compiling get_block_ind.F... get_block_ind.F:507:72: 507 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:42: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here get_block_ind.F:219:72: 219 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:33: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind.F:581:72: 581 | size4 = int_mb(k_range+g4b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:33: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind.F:517:72: 517 | ig3b=int_mb(k_b2am+g3b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:28: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind.F:582:72: 582 | size2 = int_mb(k_range+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:23: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind.F:580:72: 580 | size1 = int_mb(k_range+g1b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:18: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here Compiling get_block_ind_sf.F... get_block_ind_sf.F:435:72: 435 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:42: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here get_block_ind_sf.F:207:72: 207 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:33: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:33: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:28: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:23: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:18: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here Compiling tce_hash_ind.F... Compiling tce_mo2e_offset_intorb.F... Compiling tce_mo2e_offset_size.F... Compiling tce_mo2e_trans.F... Compiling atpart_nalength.F... Compiling tce_mo2e_zones_4a_disk_ga.F... Compiling tce_mo2e_zones_4a_disk_ga_chop.F... Compiling tce_mo2e_zones_4a_disk_2s_new.F... Compiling tce_restart.F... Compiling tce_restart_triples.F... Compiling tce_restart_quadruples.F... Compiling tce_dens_hh_offset.F... Compiling tce_dens_hp_offset.F... Compiling tce_dens_pp_offset.F... Compiling tce_dens_ph_offset.F... Compiling get_mo_rdm_hh.F... Compiling get_mo_rdm_hp.F... Compiling get_mo_rdm_ph.F... Compiling get_mo_rdm_pp.F... Compiling ao_rdm_write.F... Compiling tce_prop_start.F... Compiling tce_property.F... Compiling tce_diagnose_t1.F... Compiling tce_fourindex_driver.F... Compiling tce_fock_create.F... Compiling tce_multipole_create.F... Compiling tce_reference_check.F... tce_reference_check.F:43:53: 35 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 43 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_fourindex_cleanup.F... Compiling tce_fock_destroy.F... Compiling tce_multipole_destroy.F... Compiling tce_create_t1.F... Compiling tce_create_t2.F... Compiling tce_create_t3.F... Compiling tce_create_t4.F... Compiling tce_create_x1.F... Compiling tce_create_x2.F... Compiling tce_create_x3.F... Compiling tce_create_x4.F... Compiling tce_create_y1.F... Compiling tce_create_y2.F... Compiling tce_create_y3.F... Compiling tce_create_y4.F... Compiling tce_clone_x1.F... Compiling tce_clone_x2.F... Compiling tce_clone_x3.F... Compiling tce_clone_x4.F... Compiling tce_clone_y1.F... Compiling tce_clone_y2.F... Compiling tce_clone_y3.F... Compiling tce_clone_y4.F... Compiling tce_t1_offset_new.F... Compiling tce_t2_offset_new.F... Compiling tce_t3_offset_new.F... Compiling tce_t4_offset_new.F... Compiling tce_x1_offset_new.F... Compiling tce_x2_offset_new.F... Compiling tce_x3_offset_new.F... Compiling tce_x4_offset_new.F... Compiling tce_y1_offset_new.F... Compiling tce_y2_offset_new.F... Compiling tce_y3_offset_new.F... Compiling tce_y4_offset_new.F... Compiling tce_ccsd_driver.F... Compiling tce_ccsdt_driver.F... Compiling tce_ccsdtq_driver.F... Compiling tce_ccsd_perturbative.F... Compiling tce_ccsd_lambda_perturbative.F... Compiling tce_ccsd_lambda_driver.F... Compiling tce_ccsdt_lambda_driver.F... Compiling tce_ccsdtq_lambda_driver.F... Compiling tce_ccsd_response_driver.F... Compiling tce_ccsdt_response_driver.F... Compiling tce_ccsdtq_response_driver.F... Compiling tce_ccsd_symm_polar.F... Compiling tce_ccsdt_symm_polar.F... Compiling tce_ccsdtq_symm_polar.F... Compiling tce_ccsd_lambda_response_driver.F... Compiling tce_ccsd_asym_polar.F... Compiling tce_ccsd_hyperpolar.F... Compiling tce_ao2e_new.F... Compiling tce_mo2e_new.F... Compiling tce_tile_new.F... tce_tile_new.F:112:50: 98 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 112 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_tile_new.F:451:72: 451 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:387:23: 387 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here tce_tile_new.F:750:72: 750 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:686:23: 686 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_init_new.F... tce_init_new.F:121:51: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 121 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init_new.F:201:54: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 201 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init_new.F:335:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 335 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:349:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 349 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:353:53: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 353 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:606:21: 606 | if (rohf.and.(i.eq.2)) then | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init_new.F:42:18: 42 | logical rohf | ^ note: 'rohf' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_ao2e_disk.F... Compiling tce_mo2e_disk.F... Compiling tce_mo2e_disk_2eorb.F... Compiling tce_mo2e_incore_2eorb.F... Compiling tce_mo2e_incore_2eorb_split.F... Compiling tce_mo2e_hybrid_2eorb_split.F... tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:102:33: 102 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:41: 97 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_offset_intorb_hybrid.F... Compiling tce_mo2e_2emet3.F... Compiling tce_mo2e_2emet3_n5.F... Compiling tce_mo2e_2emet4.F... Compiling tce_mo2e_2emet4_n5.F... Compiling get_hash_block_ma.F... Compiling ccsd_energy_loc.F... Compiling cc2_energy.F... Compiling ccsd_lambda.F... Compiling ccsd_lr_alpha.F... Compiling ccsd_qr_beta.F... Compiling tce_dgeev.F... tce_dgeev.F:402:72: 402 | WORK( 1 ) = MAXWRK | ^ Warning: 'maxwrk' may be used uninitialized [-Wmaybe-uninitialized] tce_dgeev.F:124:37: 124 | $ MAXB, MAXWRK, MINWRK, NOUT | ^ note: 'maxwrk' was declared here Compiling tce_schmidt.F... Compiling tensor_read_write.F... tensor_read_write.F:129:39: 95 | k = eaf_write(unitn, offset, max_ioprocs, | 2 ...... 129 | k = eaf_write(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tensor_read_write.F:302:38: 275 | k = eaf_read(unitn, offset, max_ioprocs_r, | 2 ...... 302 | k = eaf_read(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_diis_act.F... Compiling tce_mo2e_zones_4a_disk_ga_act.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... Compiling tce_t2a_offset.F... Compiling tce_x2a_offset.F... Compiling new_ga4ind_N5.F... new_ga4ind_N5.F:2049:39: 2049 | call n4ind_transp(buf,dbl_mb(k_work1),nalength, | 1 Warning: Rank mismatch in argument 'k_4a' at (1) (rank-1 and scalar) Compiling new4ind_N5_osu.F... Compiling tce_mo2e_zones_4a_disk_ga_N5.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... Compiling tce_eom_xguess.F... Compiling tce_eom_yguess.F... Compiling ma_transpose.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' Making all in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' Making all in diis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Compiling tce_diis.F... Compiling tce_diis_init.F... Compiling tce_diis_switch.F... Compiling tce_diis_tidy.F... Compiling tce_jacobi_t1.F... Compiling tce_jacobi_t2.F... Compiling tce_jacobi_t3.F... Compiling tce_jacobi_t4.F... Compiling tce_jacobi_l1.F... Compiling tce_jacobi_l2.F... Compiling tce_jacobi_l3.F... Compiling tce_jacobi_l4.F... Compiling tce_jacobi_x1.F... Compiling tce_jacobi_x2.F... Compiling tce_jacobi_x3.F... Compiling tce_jacobi_x4.F... Compiling tce_jacobi_y1.F... Compiling tce_jacobi_y2.F... Compiling tce_jacobi_y3.F... Compiling tce_jacobi_y4.F... Compiling tce_jacobi_t3a.F... Compiling tce_jacobi_x3a.F... Compiling t2_2_y2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Making all in diis2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Compiling tce_diis2.F... Compiling tce_jacobi_tr1.F... Compiling tce_jacobi_tr2.F... Compiling tce_jacobi_tr3.F... Compiling tce_jacobi_tr4.F... Compiling tce_jacobi_lr1.F... Compiling tce_jacobi_lr2.F... Compiling tce_jacobi_lr3.F... Compiling tce_jacobi_lr4.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Making all in gradients make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Compiling tce_gradient.F... tce_gradient.F:325:54: 317 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 325 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_gradient.F:940:54: 319 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 940 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,ref+corr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_energy.F... Compiling ccsd_left.F... Compiling ccsd_gradient.F... Compiling ccsd_1pdm_hh_mo.F... Compiling ccsd_1pdm_pp_mo.F... Compiling ccsd_1pdm_hp_mo.F... Compiling ccsd_1pdm_ph_mo.F... Compiling ccsd_2pdm_hhhh_mo.F... Compiling ccsd_2pdm_hhhp_mo.F... Compiling ccsd_2pdm_hhpp_mo.F... Compiling ccsd_2pdm_hphh_mo.F... Compiling ccsd_2pdm_hphp_mo.F... Compiling ccsd_2pdm_hppp_mo.F... Compiling ccsd_2pdm_pphh_mo.F... Compiling ccsd_2pdm_pphp_mo.F... Compiling ccsd_2pdm_pppp_mo.F... Compiling zvec_x_a_a.F... Compiling zvec_x_a_b_a.F... Compiling zvec_x_a_b_b.F... Compiling zvec_x_a_c_a.F... Compiling zvec_x_a_c_b.F... Compiling zvec_x_a_d.F... Compiling zvec_x_a_e_a.F... Compiling zvec_x_a_e_b.F... Compiling zvec_x_a_f_a.F... Compiling zvec_x_a_f_b.F... Compiling zvec_x_b_a_a.F... Compiling zvec_x_b_a_b.F... Compiling zvec_x_b_b_a.F... Compiling zvec_x_b_b_b.F... Compiling zvec_x_b_c.F... Compiling zvec_x_b_d_a.F... Compiling zvec_x_b_d_b.F... Compiling zvec_x_b_e_a.F... Compiling zvec_x_b_e_b.F... Compiling zvec_x_b_f.F... Compiling zvec_x_c_a.F... Compiling zvec_x_c_b.F... Compiling ccsd_zvec.F... Compiling wdm_hh_mo_a.F... Compiling wdm_hh_mo_b_a_a.F... Compiling wdm_hh_mo_b_a_b.F... Compiling wdm_hh_mo_b_b_a.F... Compiling wdm_hh_mo_b_b_b.F... Compiling wdm_hh_mo_c_a.F... Compiling wdm_hh_mo_c_b_a.F... Compiling wdm_hh_mo_c_b_b.F... Compiling wdm_hh_mo_c_c_a.F... Compiling wdm_hh_mo_c_c_b.F... Compiling wdm_hh_mo_c_d.F... Compiling wdm_hh_mo_c_e_a.F... Compiling wdm_hh_mo_c_e_b.F... Compiling wdm_hh_mo_c_f_a.F... Compiling wdm_hh_mo_c_f_b.F... Compiling wdm_hh_mo_d.F... Compiling wdm_hp_mo_a.F... Compiling wdm_hp_mo_b_a_a.F... Compiling wdm_hp_mo_b_a_b.F... Compiling wdm_hp_mo_b_b_a.F... Compiling wdm_hp_mo_b_b_b.F... Compiling wdm_hp_mo_b_c.F... Compiling wdm_hp_mo_b_d_a.F... Compiling wdm_hp_mo_b_d_b.F... Compiling wdm_hp_mo_b_e_a.F... Compiling wdm_hp_mo_b_e_b.F... Compiling wdm_hp_mo_b_f.F... Compiling wdm_hp_mo_c.F... Compiling wdm_pp_mo_a.F... Compiling wdm_pp_mo_b_a_a.F... Compiling wdm_pp_mo_b_a_b.F... Compiling wdm_pp_mo_b_b_a.F... Compiling wdm_pp_mo_b_b_b.F... Compiling wdm_pp_mo_b_c.F... Compiling wdm_pp_mo_b_d_a.F... Compiling wdm_pp_mo_b_d_b.F... Compiling wdm_pp_mo_b_e_a.F... Compiling wdm_pp_mo_b_e_b.F... Compiling wdm_pp_mo_b_f.F... Compiling tce_grad_tidy.F... Compiling tce_ccsd_1prdm.F... Compiling tce_dens_hhhh_offset.F... Compiling tce_dens_hhhp_offset.F... Compiling tce_dens_hhpp_offset.F... Compiling tce_dens_hphh_offset.F... Compiling tce_dens_hphp_offset.F... Compiling tce_dens_hppp_offset.F... Compiling tce_dens_pphh_offset.F... Compiling tce_dens_pphp_offset.F... Compiling tce_dens_pppp_offset.F... Compiling tce_zvec_x1_offset.F... Compiling tce_2pdm_offset.F... Compiling put_2pdm_hhhh.F... Compiling put_2pdm_hhhp.F... Compiling put_2pdm_hhpp.F... Compiling put_2pdm_hphh.F... Compiling put_2pdm_hphp.F... Compiling put_2pdm_hppp.F... Compiling put_2pdm_pphh.F... Compiling put_2pdm_pphp.F... Compiling put_2pdm_pppp.F... Compiling tce_1pdm_offset.F... Compiling put_1pdm_hh.F... Compiling put_1pdm_hp.F... Compiling put_1pdm_ph.F... Compiling put_1pdm_ph_2.F... Compiling put_1pdm_pp.F... Compiling put_1pwdm_hp.F... Compiling ao_tiles.F... Compiling btrans1.F... Compiling ao_1prdm_write.F... Compiling tce_gradients_doit.F... Compiling tce_grad_force.F... tce_grad_force.F:202:63: 200 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 201 | $ ocdfit = .false. 202 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tce_grad1.F... Compiling tce_grad2.F... Compiling sym_2pdm_ao.F... Compiling btrans2.F... Compiling eomccsd_energy.F... eomccsd_energy.F:96:72: 96 | cpu=cpu+util_cpusec() | ^ Warning: 'cpu' may be used uninitialized [-Wmaybe-uninitialized] eomccsd_energy.F:26:26: 26 | double precision cpu, wall | ^ note: 'cpu' declared here eomccsd_energy.F:97:72: 97 | wall=wall+util_wallsec() | ^ Warning: 'wall' may be used uninitialized [-Wmaybe-uninitialized] eomccsd_energy.F:26:32: 26 | double precision cpu, wall | ^ note: 'wall' declared here Compiling eomccsd_left.F... eomccsd_left.F:96:72: 96 | cpu=cpu+util_cpusec() | ^ Warning: 'cpu' may be used uninitialized [-Wmaybe-uninitialized] eomccsd_left.F:37:26: 37 | double precision cpu, wall | ^ note: 'cpu' declared here eomccsd_left.F:97:72: 97 | wall=wall+util_wallsec() | ^ Warning: 'wall' may be used uninitialized [-Wmaybe-uninitialized] eomccsd_left.F:37:32: 37 | double precision cpu, wall | ^ note: 'wall' declared here Compiling eomccsd_gradients.F... Compiling eomccsd_1pdm_hh_mo.F... Compiling eomccsd_1pdm_pp_mo.F... Compiling tce_eomccsd_1prdm.F... Compiling eomccsd_2pdm_hhhh_mo.F... Compiling eomccsd_2pdm_hhhp_mo.F... Compiling eomccsd_2pdm_hhpp_mo.F... Compiling eomccsd_2pdm_hphh_mo.F... Compiling eomccsd_2pdm_hphp_mo.F... Compiling eomccsd_2pdm_hppp_mo.F... Compiling eomccsd_2pdm_pphh_mo.F... Compiling eomccsd_2pdm_pphp_mo.F... Compiling eomccsd_2pdm_pppp_mo.F... Compiling eomccsd_z1.F... Compiling eomccsd_z2.F... Compiling eomccsd_2pdm_pphh_zvec_mo.F... Compiling eomccsd_1pdm_hp_mo.F... Compiling eomccsd_1pdm_ph_mo.F... Compiling eomccsd_x1_grad.F... Compiling eomccsd_x2_grad.F... Compiling tce_eom_xdiagon_grad.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Making all in ccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Compiling ccsd_e.F... Compiling ccsd_t1.F... Compiling ccsd_t2.F... Compiling cc2_t1.F... Compiling cc2_t2.F... Compiling ccsd_1prdm.F... Compiling ccsd_1prdm_hh.F... Compiling ccsd_1prdm_hp.F... Compiling ccsd_1prdm_ph.F... Compiling ccsd_1prdm_pp.F... Compiling icsd_t1.F... Compiling icsd_t2.F... Compiling ccsd_kernels.F... Compiling ccsd_t2_8.F... Compiling tce_1b_dens_print.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Making all in ccsd_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Compiling ccsd_lambda1_1.F... Compiling ccsd_lambda1_2.F... Compiling ccsd_lambda2.F... Compiling ccsd_density1.F... Compiling ccsd_lambda1_mod.F... ccsd_lambda1_mod.F:5436:72: 5436 | &+nvab) * (h6b_2 - 1))))) | 1 Warning: Missing actual argument for argument '_formal_44' at (1) make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Making all in eomccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... Compiling eomccsd_y2.F... Compiling eomccsd_density1.F... Compiling eomccsd_denominator.F... Compiling cc2_x1.F... Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... Compiling eomccsd_1prdm_hh.F... Compiling eomccsd_1prdm_hp.F... Compiling eomccsd_1prdm_ph.F... Compiling eomccsd_1prdm_pp.F... Compiling eomccsd_x1_old.F... Compiling eomccsd_x2_old.F... Compiling eomicsd_x1.F... Compiling eomicsd_x2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Making all in ccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Compiling cr_ccsd_t.F... Compiling lr_ccsd_t.F... make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Compiling ccsd_t.F... Compiling ccsd_t_doubles.F... Compiling ccsd_t_singles.F... Compiling lambda_ccsd_t.F... Compiling lambda_ccsd_t_left.F... Compiling ccsd_t_doubles_l.F... Compiling ccsd_t_singles_l.F... Compiling ccsd2_t.F... ccsd2_t.F:75:72: 75 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_t.F:35:21: 35 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_t.F:80:72: 80 | 4 l_i1_offset_5,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_t.F:36:20: 36 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_t_left.F... Compiling ccsd2_q.F... ccsd2_q.F:55:72: 55 | 4 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_q.F:32:21: 32 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_q.F:58:72: 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_q.F:33:20: 33 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_q_left.F... Compiling ccsd2_q_right.F... Compiling ccsdt2_q.F... ccsdt2_q.F:77:72: 77 | 7 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsdt2_q.F:42:21: 42 | integer k_right,l_right | ^ note: 'k_right' declared here ccsdt2_q.F:83:72: 83 | 5 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsdt2_q.F:43:20: 43 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsdt2_q_left.F... Compiling ccsdt2_q_right.F... Compiling cr_ccsd_t_D.F... Compiling cr_ccsd_t_E.F... Compiling cr_ccsd_t_N.F... Compiling lr_ccsd_tq.F... Compiling cr_qcisd_t.F... cr_qcisd_t.F:260:72: 260 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right_3' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:221:23: 221 | integer k_right_3,l_right_3 | ^ note: 'k_right_3' declared here cr_qcisd_t.F:263:72: 263 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_denom' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:222:21: 222 | integer k_denom,l_denom | ^ note: 'k_denom' declared here Compiling m2_dot_m1t1.F... Compiling ccsd_t_restart.F... ccsd_t_restart.F:82:21: 59 | 1 ccsd_t_restart_begin)) then | 2 ...... 82 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t_restart.F:87:23: 62 | 1 ccsd_t_restart_begin)) then | 2 ...... 87 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_t_6dts.F... Compiling ccsd_t_singles_l_6dts.F... Compiling ccsd_t_doubles_l_6dts.F... Compiling ccsd_t_dts_kernels_omp.F... Compiling ccsd_t_transpose.F... Compiling offl_ccsd_t_doubles_l.F... Compiling ccsd_t_kernels_omp.F... Compiling tce_hashnsort.F... Compiling ccsd_t_pstat.F... Compiling ccsd_t_dot.F... Compiling ccsd_t_neword.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Making all in cr-eomccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Compiling c1_c1.F... Compiling c2_c2.F... Compiling cr_eomccsd_t.F... cr_eomccsd_t.F:265:72: 265 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:83:21: 83 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t.F:279:72: 279 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:85:20: 85 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomccsd_t_gr.F... cr_eomccsd_t_gr.F:143:72: 143 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:64:22: 64 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here cr_eomccsd_t_gr.F:153:72: 153 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:66:20: 66 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here Compiling t2t12.F... Compiling nr0.F... Compiling c1excit2.F... Compiling c2excit2.F... Compiling q3rexpt2.F... Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... Compiling cr_eomccsd_t_n2_1.F... Compiling cr_eomccsd_t_n2_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1.F... Compiling cr_eomccsd_t_n2_1_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... Compiling cr_eomccsd_t_n2_1_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_2_1.F... Compiling cr_eomccsd_t_n2_1_1_2_2.F... Compiling cr_eomccsd_t_n2_1_1_3.F... Compiling cr_eomccsd_t_n2_1_2.F... Compiling cr_eomccsd_t_n2_1_3.F... Compiling cr_eomccsd_t_n2_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_1.F... Compiling cr_eomccsd_t_n2_1_3_2.F... Compiling cr_eomccsd_t_n2_1_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... Compiling cr_eomccsd_t_n2_1_4_1.F... Compiling offset_cr_eomccsd_t_n2_1_4_1.F... Compiling cr_eomccsd_t_n2_1_5.F... Compiling cr_eomccsd_t_n2_1_5_1.F... Compiling offset_cr_eomccsd_t_n2_1_5_1.F... Compiling cr_eomccsd_t_n2_1_6.F... Compiling cr_eomccsd_t_n2_1_6_1.F... Compiling offset_cr_eomccsd_t_n2_1_6_1.F... Compiling cr_eomccsd_t_n2_1_7.F... Compiling cr_eomccsd_t_n2_1_7_1.F... Compiling offset_cr_eomccsd_t_n2_1_7_1.F... Compiling cr_eomccsd_t_n2_1_7_2.F... Compiling cr_eomccsd_t_n2_1_8.F... Compiling cr_eomccsd_t_n2_1_8_1.F... Compiling offset_cr_eomccsd_t_n2_1_8_1.F... Compiling cr_eomccsd_t_n2_1_8_2.F... Compiling cr_eomccsd_t_n2_1_9.F... Compiling cr_eomccsd_t_n2_2.F... Compiling cr_eomccsd_t_n2_2_1.F... Compiling offset_cr_eomccsd_t_n2_2_1.F... Compiling cr_eomccsd_t_n2_2_1_1.F... Compiling offset_cr_eomccsd_t_n2_2_1_1.F... Compiling cr_eomccsd_t_n2_2_1_2.F... Compiling cr_eomccsd_t_n2_2_1_3.F... Compiling cr_eomccsd_t_n2_2_1_4.F... Compiling cr_eomccsd_t_n2_3.F... Compiling cr_eomccsd_t_n2_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_1.F... Compiling cr_eomccsd_t_n2_3_2.F... Compiling cr_eomccsd_t_n2_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_3_2_1.F... Compiling cr_eomccsd_t_n2_3_3.F... Compiling cr_eomccsd_t_n2_3_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_3_1.F... Compiling cr_eomccsd_t_n2_3_3_2.F... Compiling cr_eomccsd_t_n2_3_4.F... Compiling cr_eomccsd_t_n2_4.F... Compiling cr_eomccsd_t_n2_4_1.F... Compiling offset_cr_eomccsd_t_n2_4_1.F... Compiling cr_eomccsd_t_n2_4_1_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_1.F... Compiling cr_eomccsd_t_n2_4_1_2.F... Compiling cr_eomccsd_t_n2_4_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... Compiling cr_eomccsd_t_n2_4_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... Compiling cr_eomccsd_t_n2_4_1_4.F... Compiling cr_eomccsd_t_n2_4_2.F... Compiling cr_eomccsd_t_n2_4_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2.F... Compiling cr_eomccsd_t_n2_4_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2_2.F... Compiling cr_eomccsd_t_n2_4_2_3.F... Compiling cr_eomccsd_t_n2_4_2_4.F... Compiling cr_eomccsd_t_n2_5.F... Compiling cr_eomccsd_t_n2_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_1.F... Compiling cr_eomccsd_t_n2_5_2.F... Compiling cr_eomccsd_t_n2_5_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2.F... Compiling cr_eomccsd_t_n2_5_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2_2.F... Compiling cr_eomccsd_t_n2_5_2_3.F... Compiling cr_eomccsd_t_n2_5_3.F... Compiling cr_eomccsd_t_n2_5_3_1.F... Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... Compiling cr_eomccsd_t_n2_5_4.F... Compiling cr_eomccsd_t_n2_5_4_1.F... Compiling offset_cr_eomccsd_t_n2_5_4_1.F... Compiling cr_eomccsd_t_n2_5_4_2.F... Compiling cr_eomccsd_t_n2_5_5.F... Compiling cr_eomccsd_t_n2_5_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_5_1.F... Compiling cr_eomccsd_t_n2_5_5_2.F... Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... Compiling cr_eomccsd_t_n2_6_1.F... Compiling offset_cr_eomccsd_t_n2_6_1.F... Compiling cr_eomccsd_t_n2_6_2.F... Compiling cr_eomccsd_t_n2_6_3.F... Compiling cr_eomccsd_t_n2_6_3_1.F... Compiling offset_cr_eomccsd_t_n2_6_3_1.F... Compiling cr_eomccsd_t_n2_6_3_2.F... Compiling cr_eomccsd_t_n2_6_4.F... Compiling creomccsd_t_n2_mem.F... Compiling q3rexpt2_6dts.F... Compiling creomccsd_t_n2_mem_6dts.F... Compiling cr_eomccsd_t_6dts.F... cr_eomccsd_t_6dts.F:280:72: 280 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:95:21: 95 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts.F:294:72: 294 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:97:20: 97 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_ccsd_t_N_6dts.F... Compiling cr_ccsd_t_E_6dts.F... Compiling cr_eomccsd_t_6dts_d4d5_parallel.F... cr_eomccsd_t_6dts_d4d5_parallel.F:276:72: 276 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:91:21: 91 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts_d4d5_parallel.F:290:72: 290 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:93:20: 93 | integer k_left,l_left | ^ note: 'k_left' declared here make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Making all in lrh make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Compiling tce_loc_j1.F... Compiling tce_loc_j2.F... tce_loc_j2.F:102:43: 102 | if(restricted.and.(spin_sum.eq.6)) then | ^ Warning: 'spin_sum' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:47:22: 47 | integer spin_sum,spin_suml | ^ note: 'spin_sum' was declared here tce_loc_j2.F:103:72: 103 | ip2alpha=int_mb(k_offset+p2alpha-1)+p2 | ^ Warning: 'p2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:48:21: 48 | integer p2alpha | ^ note: 'p2alpha' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ip2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:50:22: 50 | integer ip2alpha | ^ note: 'ip2alpha' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ih4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:51:22: 51 | integer ih4alpha | ^ note: 'ih4alpha' was declared here tce_loc_j2.F:104:72: 104 | ih4alpha=int_mb(k_offset+h4alpha-1)+h4 | ^ Warning: 'h4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:49:21: 49 | integer h4alpha | ^ note: 'h4alpha' was declared here make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_loc_j1.o tce_loc_j2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Making all in emb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Compiling c1v.F... Compiling c2vt1_s.F... Compiling emb1.F... emb1.F:288:72: 288 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:80:22: 80 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb1.F:303:72: 303 | &l_i2_offset_3,l_i2_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb1.F:81:22: 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb1.F:312:72: 312 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb1.F:79:19: 79 | integer k_den,l_den | ^ note: 'k_den' declared here emb1.F:308:72: 308 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:89:20: 89 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb1.F:321:72: 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb1.F:126:20: 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb1.F:336:72: 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb1.F:128:25: 128 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here Compiling emb2.F... emb2.F:295:72: 295 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:82:22: 82 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb2.F:308:72: 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb2.F:83:22: 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb2.F:317:72: 317 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb2.F:81:19: 81 | integer k_den,l_den | ^ note: 'k_den' declared here emb2.F:313:72: 313 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:92:20: 92 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb2.F:326:72: 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb2.F:129:20: 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb2.F:341:72: 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb2.F:131:25: 131 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Making all in ccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Compiling ccd_e.F... Compiling ccd_t2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccd_e.o ccd_t2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Making all in lccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Compiling lccd_e.F... Compiling lccd_t2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a lccd_e.o lccd_t2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Making all in lccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Compiling lccsd_e.F... Compiling lccsd_t1.F... Compiling lccsd_t2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Making all in qcisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Compiling qcisd_e.F... Compiling qcisd_t1.F... Compiling qcisd_t2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Making all in cc3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Compiling cc3_t3.F... Compiling ccsdt1b_t3.F... Compiling ccsdt2_t3.F... Compiling ccsdt3_t3.F... Compiling eomccsdt1_x3.F... Compiling eomcc3_x3.F... Compiling eomccsdt3_x3.F... Compiling cc3_lambda3.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Making all in mbpt1 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a mbpt1_t1.o mbpt1_t2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Making all in mbpt2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Compiling mbpt2_e.F... Compiling mbpt2_t1.F... Compiling mbpt2_t2.F... Compiling mbpt2_t2_b.F... Compiling mbpt2_t3.F... Compiling mbpt2_t1_sd.F... Compiling mbpt2_t2_sd.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Making all in mbpt3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Compiling mbpt3_e.F... Compiling mbpt3_t1.F... Compiling mbpt3_t2.F... Compiling mbpt3_t1_sd.F... Compiling mbpt3_t2_sd.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Making all in mbpt4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Compiling mbpt4_e.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a mbpt4_e.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Making all in cis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Compiling cis.F... Compiling cis_x1.F... Compiling cis_xdiagon.F... Compiling cis_xtidy.F... Compiling cis_xguess.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Making all in cisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Compiling cisd_e.F... Compiling cisd_c1.F... Compiling cisd_c2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cisd_e.o cisd_c1.o cisd_c2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Making all in cisdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... Compiling cisdt_c3.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Making all in cisdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Compiling cisdtq_e.F... Compiling cisdtq_c1.F... Compiling cisdtq_c2.F... Compiling cisdtq_c3.F... Compiling cisdtq_c4.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Making all in ccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Compiling ccsd_ea.F... Compiling ccsd_t1a.F... Compiling ccsd_t2a.F... Compiling activity.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Making all in eomccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Compiling eomccsd_x1a.F... Compiling eomccsd_x2a.F... Compiling q2na_hc1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Making all in cr_eomccsd_t_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Compiling cr_ccsd_t_E_act.F... Compiling cr_eomccsd_t_act.F... cr_eomccsd_t_act.F:253:72: 253 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_t_act.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling q3rexpt2_act.F... Compiling cr_ccsd_t_N_act.F... Compiling creomccsd_t_n2_act_mem.F... Compiling cr_eomccsd_tasim.F... cr_eomccsd_tasim.F:261:72: 261 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_tasim.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Making all in sort make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... Compiling new_sort2.F... Compiling new_sort4.F... Compiling new_sort6.F... Compiling tce_sort8.F... Compiling tce_sortacc8.F... Compiling tce_sort1.f... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Making all in ducc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT map_hcore.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT rot_vir.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT ducc.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hh.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hp.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT pp.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hhhh.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT pppp.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hhhp.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT ppph.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hhpp.F gfortran -c -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -ffast-math -fprefetch-loop-arrays -ftree-vectorize -mtune=generic -I. -I../include -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DDEBUG_PRINT hphp.F make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' Making all in ucc4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Compiling ucc4_e_new.F... Compiling ucc4_t1_new.F... Compiling ucc4_t2.F... Compiling ucc4_t2_t2_v_t.F... Compiling ucc4_t3.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Making all in eaccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' Compiling eaccsd_x1.F... Compiling eaccsd_x2.F... Compiling tce_print_eax1.F... Compiling tce_print_eax2.F... Compiling tce_eax1_offset.F... Compiling tce_eax2_offset.F... Compiling tce_eom_eaxguess.F... Compiling tce_jacobi_eax1.F... Compiling tce_jacobi_eax2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eaccsd' Making all in ipccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' Compiling ipccsd_x1.F... Compiling ipccsd_x2.F... Compiling tce_print_ipx1.F... Compiling tce_print_ipx2.F... Compiling tce_ipx1_offset.F... Compiling tce_ipx2_offset.F... Compiling tce_eom_ipxguess.F... Compiling tce_jacobi_ipx1.F... Compiling tce_jacobi_ipx2.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ipccsd' Making all in ccsdt_alpha_offdiag make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' Compiling ccsdt_lr_alpha_offdiag_10_1_1.F... Compiling ccsdt_lr_alpha_offdiag_10_1.F... Compiling ccsdt_lr_alpha_offdiag_10_2_1.F... Compiling ccsdt_lr_alpha_offdiag_10_2.F... Compiling ccsdt_lr_alpha_offdiag_10_3_1.F... Compiling ccsdt_lr_alpha_offdiag_10_3.F... Compiling ccsdt_lr_alpha_offdiag_10_4_1.F... Compiling ccsdt_lr_alpha_offdiag_10_4.F... Compiling ccsdt_lr_alpha_offdiag_10.F... Compiling ccsdt_lr_alpha_offdiag_11_1_1.F... Compiling ccsdt_lr_alpha_offdiag_11_1.F... Compiling ccsdt_lr_alpha_offdiag_11_2_1.F... Compiling ccsdt_lr_alpha_offdiag_11_2_2.F... Compiling ccsdt_lr_alpha_offdiag_11_2.F... Compiling ccsdt_lr_alpha_offdiag_11_3_1.F... Compiling ccsdt_lr_alpha_offdiag_11_3.F... Compiling ccsdt_lr_alpha_offdiag_11_4_1.F... Compiling ccsdt_lr_alpha_offdiag_11_4.F... Compiling ccsdt_lr_alpha_offdiag_11_5_1.F... Compiling ccsdt_lr_alpha_offdiag_11_5.F... Compiling ccsdt_lr_alpha_offdiag_1_1.F... Compiling ccsdt_lr_alpha_offdiag_11.F... Compiling ccsdt_lr_alpha_offdiag_12_10_1.F... Compiling ccsdt_lr_alpha_offdiag_12_10_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_10_2.F... Compiling ccsdt_lr_alpha_offdiag_12_10_3_1.F... Compiling ccsdt_lr_alpha_offdiag_12_10_3.F... Compiling ccsdt_lr_alpha_offdiag_12_10.F... Compiling ccsdt_lr_alpha_offdiag_12_11_1.F... Compiling ccsdt_lr_alpha_offdiag_12_11_2.F... Compiling ccsdt_lr_alpha_offdiag_12_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_11.F... Compiling ccsdt_lr_alpha_offdiag_12_12_1.F... Compiling ccsdt_lr_alpha_offdiag_12_12.F... Compiling ccsdt_lr_alpha_offdiag_12_13_1.F... Compiling ccsdt_lr_alpha_offdiag_12_13.F... Compiling ccsdt_lr_alpha_offdiag_12_14_1.F... Compiling ccsdt_lr_alpha_offdiag_12_14.F... Compiling ccsdt_lr_alpha_offdiag_12_15_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_2.F... Compiling ccsdt_lr_alpha_offdiag_12_15_3_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_3.F... Compiling ccsdt_lr_alpha_offdiag_12_15_4_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_4.F... Compiling ccsdt_lr_alpha_offdiag_12_15_5_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_5.F... Compiling ccsdt_lr_alpha_offdiag_12_15_6_1.F... Compiling ccsdt_lr_alpha_offdiag_12_15_6.F... Compiling ccsdt_lr_alpha_offdiag_12_15.F... Compiling ccsdt_lr_alpha_offdiag_12_16_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_16_1.F... Compiling ccsdt_lr_alpha_offdiag_12_16_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_16_2.F... Compiling ccsdt_lr_alpha_offdiag_12_16.F... Compiling ccsdt_lr_alpha_offdiag_12_17_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_17_1.F... Compiling ccsdt_lr_alpha_offdiag_12_17_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_17_2.F... Compiling ccsdt_lr_alpha_offdiag_12_17_3_1.F... Compiling ccsdt_lr_alpha_offdiag_12_17_3.F... Compiling ccsdt_lr_alpha_offdiag_12_17_4_1.F... Compiling ccsdt_lr_alpha_offdiag_12_17_4.F... Compiling ccsdt_lr_alpha_offdiag_12_17.F... Compiling ccsdt_lr_alpha_offdiag_12_18_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_18_1.F... Compiling ccsdt_lr_alpha_offdiag_12_18_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_18_2.F... Compiling ccsdt_lr_alpha_offdiag_12_18.F... Compiling ccsdt_lr_alpha_offdiag_12_19_1_1.F... Compiling ccsdt_lr_alpha_offdiag_12_19_1.F... Compiling ccsdt_lr_alpha_offdiag_12_19_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_19_2.F... Compiling ccsdt_lr_alpha_offdiag_12_19.F... Compiling ccsdt_lr_alpha_offdiag_12_1.F... Compiling ccsdt_lr_alpha_offdiag_12_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_2_2.F... Compiling ccsdt_lr_alpha_offdiag_12_2.F... Compiling ccsdt_lr_alpha_offdiag_12_3_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_2_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_2.F... Compiling ccsdt_lr_alpha_offdiag_12_3_3_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_3.F... Compiling ccsdt_lr_alpha_offdiag_12_3_4_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_4.F... Compiling ccsdt_lr_alpha_offdiag_12_3_5_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_5.F... Compiling ccsdt_lr_alpha_offdiag_12_3_6_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_6.F... Compiling ccsdt_lr_alpha_offdiag_12_3_7_1.F... Compiling ccsdt_lr_alpha_offdiag_12_3_7.F... Compiling ccsdt_lr_alpha_offdiag_12_3.F... Compiling ccsdt_lr_alpha_offdiag_12_4_1.F... Compiling ccsdt_lr_alpha_offdiag_12_4_2.F... Compiling ccsdt_lr_alpha_offdiag_12_4.F... Compiling ccsdt_lr_alpha_offdiag_12_5_1.F... Compiling ccsdt_lr_alpha_offdiag_12_5.F... Compiling ccsdt_lr_alpha_offdiag_12_6_1.F... Compiling ccsdt_lr_alpha_offdiag_12_6.F... Compiling ccsdt_lr_alpha_offdiag_12_7_1.F... Compiling ccsdt_lr_alpha_offdiag_12_7.F... Compiling ccsdt_lr_alpha_offdiag_12_8_1.F... Compiling ccsdt_lr_alpha_offdiag_12_8.F... Compiling ccsdt_lr_alpha_offdiag_12_9_1.F... Compiling ccsdt_lr_alpha_offdiag_12_9_2.F... Compiling ccsdt_lr_alpha_offdiag_12_9.F... Compiling ccsdt_lr_alpha_offdiag_1_2.F... 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Compiling ccsdt_lr_alpha_offdiag.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_lr_alpha_offdiag_10_1_1.o ccsdt_lr_alpha_offdiag_10_1.o ccsdt_lr_alpha_offdiag_10_2_1.o ccsdt_lr_alpha_offdiag_10_2.o ccsdt_lr_alpha_offdiag_10_3_1.o ccsdt_lr_alpha_offdiag_10_3.o ccsdt_lr_alpha_offdiag_10_4_1.o ccsdt_lr_alpha_offdiag_10_4.o ccsdt_lr_alpha_offdiag_10.o ccsdt_lr_alpha_offdiag_11_1_1.o ccsdt_lr_alpha_offdiag_11_1.o ccsdt_lr_alpha_offdiag_11_2_1.o ccsdt_lr_alpha_offdiag_11_2_2.o ccsdt_lr_alpha_offdiag_11_2.o ccsdt_lr_alpha_offdiag_11_3_1.o ccsdt_lr_alpha_offdiag_11_3.o 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ccsdt_lr_alpha_offdiag_5_4_1.o ccsdt_lr_alpha_offdiag_5_4_2.o ccsdt_lr_alpha_offdiag_5_4_3.o ccsdt_lr_alpha_offdiag_5_4.o ccsdt_lr_alpha_offdiag_5_5_1.o ccsdt_lr_alpha_offdiag_5_5_2.o ccsdt_lr_alpha_offdiag_5_5_3.o ccsdt_lr_alpha_offdiag_5_5.o ccsdt_lr_alpha_offdiag_5_6_1.o ccsdt_lr_alpha_offdiag_5_6_2.o ccsdt_lr_alpha_offdiag_5_6.o ccsdt_lr_alpha_offdiag_5_7_1.o ccsdt_lr_alpha_offdiag_5_7.o ccsdt_lr_alpha_offdiag_5_8_1.o ccsdt_lr_alpha_offdiag_5_8_2.o ccsdt_lr_alpha_offdiag_5_8.o ccsdt_lr_alpha_offdiag_5_9_1.o ccsdt_lr_alpha_offdiag_5_9.o ccsdt_lr_alpha_offdiag_5.o ccsdt_lr_alpha_offdiag_6_1.o ccsdt_lr_alpha_offdiag_6_2.o ccsdt_lr_alpha_offdiag_6_3.o ccsdt_lr_alpha_offdiag_6.o ccsdt_lr_alpha_offdiag_7_1.o ccsdt_lr_alpha_offdiag_7_2.o ccsdt_lr_alpha_offdiag_7.o ccsdt_lr_alpha_offdiag_8_1.o ccsdt_lr_alpha_offdiag_8.o ccsdt_lr_alpha_offdiag_9_1_1.o ccsdt_lr_alpha_offdiag_9_1.o ccsdt_lr_alpha_offdiag_9_2_1.o ccsdt_lr_alpha_offdiag_9_2_2.o ccsdt_lr_alpha_offdiag_9_2_3.o ccsdt_lr_alpha_offdiag_9_2.o ccsdt_lr_alpha_offdiag_9_3_1.o ccsdt_lr_alpha_offdiag_9_3_2.o ccsdt_lr_alpha_offdiag_9_3.o ccsdt_lr_alpha_offdiag_9_4_1.o ccsdt_lr_alpha_offdiag_9_4.o ccsdt_lr_alpha_offdiag_9_5_1.o ccsdt_lr_alpha_offdiag_9_5_2.o ccsdt_lr_alpha_offdiag_9_5.o ccsdt_lr_alpha_offdiag_9_6_1.o ccsdt_lr_alpha_offdiag_9_6_2.o ccsdt_lr_alpha_offdiag_9_6.o ccsdt_lr_alpha_offdiag_9_7_1.o ccsdt_lr_alpha_offdiag_9_7.o ccsdt_lr_alpha_offdiag_9.o ccsdt_lr_alpha_offdiag.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_offdiag' Making all in ccsdt_alpha_new make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' Compiling ccsdt_lr_alpha1.F... Compiling ccsdt_lr_alpha1_1.F... Compiling ccsdt_lr_alpha1_1_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_1.F... Compiling ccsdt_lr_alpha1_1_2.F... Compiling ccsdt_lr_alpha1_1_3.F... Compiling ccsdt_lr_alpha1_1_4.F... Compiling ccsdt_lr_alpha1_1_4_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_4_1.F... Compiling ccsdt_lr_alpha1_1_4_2.F... Compiling ccsdt_lr_alpha1_1_4_3.F... Compiling ccsdt_lr_alpha1_1_5.F... Compiling ccsdt_lr_alpha1_1_5_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_5_1.F... Compiling ccsdt_lr_alpha1_1_5_2.F... Compiling ccsdt_lr_alpha1_1_5_3.F... Compiling ccsdt_lr_alpha1_1_6.F... Compiling ccsdt_lr_alpha1_1_6_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_6_1.F... Compiling ccsdt_lr_alpha1_1_6_2.F... Compiling ccsdt_lr_alpha1_1_7.F... Compiling ccsdt_lr_alpha1_1_7_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_7_1.F... Compiling ccsdt_lr_alpha1_1_8.F... Compiling ccsdt_lr_alpha1_1_8_1.F... Compiling OFFSET_ccsdt_lr_alpha1_1_8_1.F... Compiling ccsdt_lr_alpha1_1_8_2.F... 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Compiling OFFSET_ccsdt_lr_alpha2_11_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_lr_alpha1.o ccsdt_lr_alpha1_1.o ccsdt_lr_alpha1_1_1.o OFFSET_ccsdt_lr_alpha1_1_1.o ccsdt_lr_alpha1_1_2.o ccsdt_lr_alpha1_1_3.o ccsdt_lr_alpha1_1_4.o ccsdt_lr_alpha1_1_4_1.o OFFSET_ccsdt_lr_alpha1_1_4_1.o ccsdt_lr_alpha1_1_4_2.o ccsdt_lr_alpha1_1_4_3.o ccsdt_lr_alpha1_1_5.o ccsdt_lr_alpha1_1_5_1.o OFFSET_ccsdt_lr_alpha1_1_5_1.o ccsdt_lr_alpha1_1_5_2.o ccsdt_lr_alpha1_1_5_3.o ccsdt_lr_alpha1_1_6.o ccsdt_lr_alpha1_1_6_1.o OFFSET_ccsdt_lr_alpha1_1_6_1.o ccsdt_lr_alpha1_1_6_2.o ccsdt_lr_alpha1_1_7.o ccsdt_lr_alpha1_1_7_1.o OFFSET_ccsdt_lr_alpha1_1_7_1.o ccsdt_lr_alpha1_1_8.o ccsdt_lr_alpha1_1_8_1.o OFFSET_ccsdt_lr_alpha1_1_8_1.o ccsdt_lr_alpha1_1_8_2.o ccsdt_lr_alpha1_1_9.o ccsdt_lr_alpha1_1_9_1.o OFFSET_ccsdt_lr_alpha1_1_9_1.o ccsdt_lr_alpha1_2.o ccsdt_lr_alpha1_2_1.o OFFSET_ccsdt_lr_alpha1_2_1.o ccsdt_lr_alpha1_2_2.o ccsdt_lr_alpha1_2_3.o ccsdt_lr_alpha1_3.o ccsdt_lr_alpha1_3_1.o OFFSET_ccsdt_lr_alpha1_3_1.o ccsdt_lr_alpha1_4.o ccsdt_lr_alpha1_4_1.o OFFSET_ccsdt_lr_alpha1_4_1.o ccsdt_lr_alpha1_4_2.o ccsdt_lr_alpha2.o ccsdt_lr_alpha2_1.o ccsdt_lr_alpha2_1_1.o OFFSET_ccsdt_lr_alpha2_1_1.o ccsdt_lr_alpha2_2.o ccsdt_lr_alpha2_2_1.o OFFSET_ccsdt_lr_alpha2_2_1.o ccsdt_lr_alpha2_2_1_1.o OFFSET_ccsdt_lr_alpha2_2_1_1.o ccsdt_lr_alpha2_2_1_2.o ccsdt_lr_alpha2_2_1_3.o ccsdt_lr_alpha2_2_2.o ccsdt_lr_alpha2_2_2_1.o OFFSET_ccsdt_lr_alpha2_2_2_1.o ccsdt_lr_alpha2_2_2_2.o ccsdt_lr_alpha2_2_2_3.o ccsdt_lr_alpha2_2_3.o ccsdt_lr_alpha2_2_3_1.o OFFSET_ccsdt_lr_alpha2_2_3_1.o ccsdt_lr_alpha2_2_3_2.o ccsdt_lr_alpha2_2_4.o ccsdt_lr_alpha2_2_4_1.o OFFSET_ccsdt_lr_alpha2_2_4_1.o ccsdt_lr_alpha2_2_5.o ccsdt_lr_alpha2_2_5_1.o OFFSET_ccsdt_lr_alpha2_2_5_1.o ccsdt_lr_alpha2_2_5_2.o ccsdt_lr_alpha2_2_6.o ccsdt_lr_alpha2_2_6_1.o OFFSET_ccsdt_lr_alpha2_2_6_1.o ccsdt_lr_alpha2_3.o ccsdt_lr_alpha2_3_1.o OFFSET_ccsdt_lr_alpha2_3_1.o ccsdt_lr_alpha2_3_1_1.o OFFSET_ccsdt_lr_alpha2_3_1_1.o ccsdt_lr_alpha2_3_1_2.o ccsdt_lr_alpha2_3_1_3.o ccsdt_lr_alpha2_3_1_3_1.o OFFSET_ccsdt_lr_alpha2_3_1_3_1.o ccsdt_lr_alpha2_3_1_4.o ccsdt_lr_alpha2_3_1_4_1.o OFFSET_ccsdt_lr_alpha2_3_1_4_1.o ccsdt_lr_alpha2_3_2.o ccsdt_lr_alpha2_3_2_1.o OFFSET_ccsdt_lr_alpha2_3_2_1.o ccsdt_lr_alpha2_3_3.o ccsdt_lr_alpha2_3_3_1.o OFFSET_ccsdt_lr_alpha2_3_3_1.o ccsdt_lr_alpha2_3_4.o ccsdt_lr_alpha2_3_4_1.o OFFSET_ccsdt_lr_alpha2_3_4_1.o ccsdt_lr_alpha2_3_4_2.o ccsdt_lr_alpha2_3_4_3.o ccsdt_lr_alpha2_3_4_3_1.o OFFSET_ccsdt_lr_alpha2_3_4_3_1.o ccsdt_lr_alpha2_3_4_4.o ccsdt_lr_alpha2_3_4_4_1.o OFFSET_ccsdt_lr_alpha2_3_4_4_1.o ccsdt_lr_alpha2_3_5.o ccsdt_lr_alpha2_3_5_1.o OFFSET_ccsdt_lr_alpha2_3_5_1.o ccsdt_lr_alpha2_3_6.o ccsdt_lr_alpha2_3_6_1.o OFFSET_ccsdt_lr_alpha2_3_6_1.o ccsdt_lr_alpha2_3_7.o ccsdt_lr_alpha2_3_7_1.o OFFSET_ccsdt_lr_alpha2_3_7_1.o ccsdt_lr_alpha2_3_8.o ccsdt_lr_alpha2_3_8_1.o OFFSET_ccsdt_lr_alpha2_3_8_1.o ccsdt_lr_alpha2_3_9.o ccsdt_lr_alpha2_3_9_1.o OFFSET_ccsdt_lr_alpha2_3_9_1.o ccsdt_lr_alpha2_3_9_1_1.o OFFSET_ccsdt_lr_alpha2_3_9_1_1.o ccsdt_lr_alpha2_3_9_2.o ccsdt_lr_alpha2_3_9_2_1.o OFFSET_ccsdt_lr_alpha2_3_9_2_1.o ccsdt_lr_alpha2_4.o ccsdt_lr_alpha2_4_1.o OFFSET_ccsdt_lr_alpha2_4_1.o ccsdt_lr_alpha2_4_1_1.o OFFSET_ccsdt_lr_alpha2_4_1_1.o ccsdt_lr_alpha2_4_2.o ccsdt_lr_alpha2_4_2_1.o OFFSET_ccsdt_lr_alpha2_4_2_1.o ccsdt_lr_alpha2_4_3.o ccsdt_lr_alpha2_4_3_1.o OFFSET_ccsdt_lr_alpha2_4_3_1.o ccsdt_lr_alpha2_4_4.o ccsdt_lr_alpha2_4_4_1.o OFFSET_ccsdt_lr_alpha2_4_4_1.o ccsdt_lr_alpha2_5.o ccsdt_lr_alpha2_5_1.o OFFSET_ccsdt_lr_alpha2_5_1.o ccsdt_lr_alpha2_5_1_1.o OFFSET_ccsdt_lr_alpha2_5_1_1.o ccsdt_lr_alpha2_5_1_2.o ccsdt_lr_alpha2_5_2.o ccsdt_lr_alpha2_5_2_1.o OFFSET_ccsdt_lr_alpha2_5_2_1.o ccsdt_lr_alpha2_5_2_2.o ccsdt_lr_alpha2_5_3.o ccsdt_lr_alpha2_5_3_1.o OFFSET_ccsdt_lr_alpha2_5_3_1.o ccsdt_lr_alpha2_5_4.o ccsdt_lr_alpha2_5_4_1.o OFFSET_ccsdt_lr_alpha2_5_4_1.o ccsdt_lr_alpha2_6.o ccsdt_lr_alpha2_6_1.o OFFSET_ccsdt_lr_alpha2_6_1.o ccsdt_lr_alpha2_6_1_1.o OFFSET_ccsdt_lr_alpha2_6_1_1.o ccsdt_lr_alpha2_6_2.o ccsdt_lr_alpha2_6_2_1.o OFFSET_ccsdt_lr_alpha2_6_2_1.o ccsdt_lr_alpha2_6_2_2.o ccsdt_lr_alpha2_6_3.o ccsdt_lr_alpha2_6_3_1.o OFFSET_ccsdt_lr_alpha2_6_3_1.o ccsdt_lr_alpha2_6_3_2.o ccsdt_lr_alpha2_6_3_2_1.o OFFSET_ccsdt_lr_alpha2_6_3_2_1.o ccsdt_lr_alpha2_6_3_3.o ccsdt_lr_alpha2_6_3_3_1.o OFFSET_ccsdt_lr_alpha2_6_3_3_1.o ccsdt_lr_alpha2_6_3_4.o ccsdt_lr_alpha2_6_3_4_1.o OFFSET_ccsdt_lr_alpha2_6_3_4_1.o ccsdt_lr_alpha2_6_3_5.o ccsdt_lr_alpha2_6_3_5_1.o OFFSET_ccsdt_lr_alpha2_6_3_5_1.o ccsdt_lr_alpha2_6_3_6.o ccsdt_lr_alpha2_6_3_6_1.o OFFSET_ccsdt_lr_alpha2_6_3_6_1.o ccsdt_lr_alpha2_6_3_7.o ccsdt_lr_alpha2_6_3_7_1.o OFFSET_ccsdt_lr_alpha2_6_3_7_1.o ccsdt_lr_alpha2_6_4.o ccsdt_lr_alpha2_6_4_1.o OFFSET_ccsdt_lr_alpha2_6_4_1.o ccsdt_lr_alpha2_6_4_2.o ccsdt_lr_alpha2_6_5.o ccsdt_lr_alpha2_6_5_1.o OFFSET_ccsdt_lr_alpha2_6_5_1.o ccsdt_lr_alpha2_6_6.o ccsdt_lr_alpha2_6_6_1.o OFFSET_ccsdt_lr_alpha2_6_6_1.o ccsdt_lr_alpha2_6_7.o ccsdt_lr_alpha2_6_7_1.o OFFSET_ccsdt_lr_alpha2_6_7_1.o ccsdt_lr_alpha2_6_8.o ccsdt_lr_alpha2_6_8_1.o OFFSET_ccsdt_lr_alpha2_6_8_1.o ccsdt_lr_alpha2_6_9.o ccsdt_lr_alpha2_6_9_1.o OFFSET_ccsdt_lr_alpha2_6_9_1.o ccsdt_lr_alpha2_6_9_2.o ccsdt_lr_alpha2_6_10.o ccsdt_lr_alpha2_6_10_1.o OFFSET_ccsdt_lr_alpha2_6_10_1.o ccsdt_lr_alpha2_6_10_2.o ccsdt_lr_alpha2_6_10_2_1.o OFFSET_ccsdt_lr_alpha2_6_10_2_1.o ccsdt_lr_alpha2_6_10_3.o ccsdt_lr_alpha2_6_10_3_1.o OFFSET_ccsdt_lr_alpha2_6_10_3_1.o ccsdt_lr_alpha2_6_10_4.o ccsdt_lr_alpha2_6_10_4_1.o OFFSET_ccsdt_lr_alpha2_6_10_4_1.o ccsdt_lr_alpha2_6_10_5.o ccsdt_lr_alpha2_6_10_5_1.o OFFSET_ccsdt_lr_alpha2_6_10_5_1.o ccsdt_lr_alpha2_6_10_6.o ccsdt_lr_alpha2_6_10_6_1.o OFFSET_ccsdt_lr_alpha2_6_10_6_1.o ccsdt_lr_alpha2_6_10_7.o ccsdt_lr_alpha2_6_10_7_1.o OFFSET_ccsdt_lr_alpha2_6_10_7_1.o ccsdt_lr_alpha2_6_11.o ccsdt_lr_alpha2_6_11_1.o OFFSET_ccsdt_lr_alpha2_6_11_1.o ccsdt_lr_alpha2_6_11_2.o ccsdt_lr_alpha2_6_12.o ccsdt_lr_alpha2_6_12_1.o OFFSET_ccsdt_lr_alpha2_6_12_1.o ccsdt_lr_alpha2_6_13.o ccsdt_lr_alpha2_6_13_1.o OFFSET_ccsdt_lr_alpha2_6_13_1.o ccsdt_lr_alpha2_6_14.o ccsdt_lr_alpha2_6_14_1.o OFFSET_ccsdt_lr_alpha2_6_14_1.o ccsdt_lr_alpha2_6_15.o ccsdt_lr_alpha2_6_15_1.o OFFSET_ccsdt_lr_alpha2_6_15_1.o ccsdt_lr_alpha2_6_15_1_1.o OFFSET_ccsdt_lr_alpha2_6_15_1_1.o ccsdt_lr_alpha2_6_15_2.o ccsdt_lr_alpha2_6_15_2_1.o OFFSET_ccsdt_lr_alpha2_6_15_2_1.o ccsdt_lr_alpha2_6_15_3.o ccsdt_lr_alpha2_6_15_3_1.o OFFSET_ccsdt_lr_alpha2_6_15_3_1.o ccsdt_lr_alpha2_6_15_4.o ccsdt_lr_alpha2_6_15_4_1.o OFFSET_ccsdt_lr_alpha2_6_15_4_1.o ccsdt_lr_alpha2_6_15_5.o ccsdt_lr_alpha2_6_15_5_1.o OFFSET_ccsdt_lr_alpha2_6_15_5_1.o ccsdt_lr_alpha2_6_15_6.o ccsdt_lr_alpha2_6_15_6_1.o OFFSET_ccsdt_lr_alpha2_6_15_6_1.o ccsdt_lr_alpha2_6_16.o ccsdt_lr_alpha2_6_16_1.o OFFSET_ccsdt_lr_alpha2_6_16_1.o ccsdt_lr_alpha2_6_16_1_1.o OFFSET_ccsdt_lr_alpha2_6_16_1_1.o ccsdt_lr_alpha2_6_16_2.o ccsdt_lr_alpha2_6_16_2_1.o OFFSET_ccsdt_lr_alpha2_6_16_2_1.o ccsdt_lr_alpha2_6_17.o ccsdt_lr_alpha2_6_17_1.o OFFSET_ccsdt_lr_alpha2_6_17_1.o ccsdt_lr_alpha2_6_17_1_1.o OFFSET_ccsdt_lr_alpha2_6_17_1_1.o ccsdt_lr_alpha2_6_17_2.o ccsdt_lr_alpha2_6_17_2_1.o OFFSET_ccsdt_lr_alpha2_6_17_2_1.o ccsdt_lr_alpha2_6_18.o ccsdt_lr_alpha2_6_18_1.o OFFSET_ccsdt_lr_alpha2_6_18_1.o ccsdt_lr_alpha2_6_18_1_1.o OFFSET_ccsdt_lr_alpha2_6_18_1_1.o ccsdt_lr_alpha2_6_18_2.o ccsdt_lr_alpha2_6_18_2_1.o OFFSET_ccsdt_lr_alpha2_6_18_2_1.o ccsdt_lr_alpha2_7.o ccsdt_lr_alpha2_7_1.o OFFSET_ccsdt_lr_alpha2_7_1.o ccsdt_lr_alpha2_7_1_1.o OFFSET_ccsdt_lr_alpha2_7_1_1.o ccsdt_lr_alpha2_7_1_2.o ccsdt_lr_alpha2_7_1_3.o ccsdt_lr_alpha2_7_1_3_1.o OFFSET_ccsdt_lr_alpha2_7_1_3_1.o ccsdt_lr_alpha2_7_1_3_2.o ccsdt_lr_alpha2_7_1_4.o ccsdt_lr_alpha2_7_1_4_1.o OFFSET_ccsdt_lr_alpha2_7_1_4_1.o ccsdt_lr_alpha2_7_1_4_2.o ccsdt_lr_alpha2_7_2.o ccsdt_lr_alpha2_7_2_1.o OFFSET_ccsdt_lr_alpha2_7_2_1.o ccsdt_lr_alpha2_7_3.o ccsdt_lr_alpha2_7_3_1.o OFFSET_ccsdt_lr_alpha2_7_3_1.o ccsdt_lr_alpha2_7_3_2.o ccsdt_lr_alpha2_7_4.o ccsdt_lr_alpha2_7_4_1.o OFFSET_ccsdt_lr_alpha2_7_4_1.o ccsdt_lr_alpha2_7_4_1_1.o OFFSET_ccsdt_lr_alpha2_7_4_1_1.o ccsdt_lr_alpha2_7_4_1_2.o ccsdt_lr_alpha2_7_5.o ccsdt_lr_alpha2_7_5_1.o OFFSET_ccsdt_lr_alpha2_7_5_1.o ccsdt_lr_alpha2_7_6.o ccsdt_lr_alpha2_7_6_1.o OFFSET_ccsdt_lr_alpha2_7_6_1.o ccsdt_lr_alpha2_7_7.o ccsdt_lr_alpha2_7_7_1.o OFFSET_ccsdt_lr_alpha2_7_7_1.o ccsdt_lr_alpha2_7_7_2.o ccsdt_lr_alpha2_7_7_3.o ccsdt_lr_alpha2_7_7_3_1.o OFFSET_ccsdt_lr_alpha2_7_7_3_1.o ccsdt_lr_alpha2_7_7_3_2.o ccsdt_lr_alpha2_7_7_4.o ccsdt_lr_alpha2_7_7_4_1.o OFFSET_ccsdt_lr_alpha2_7_7_4_1.o ccsdt_lr_alpha2_7_7_4_2.o ccsdt_lr_alpha2_7_8.o ccsdt_lr_alpha2_7_8_1.o OFFSET_ccsdt_lr_alpha2_7_8_1.o ccsdt_lr_alpha2_7_9.o ccsdt_lr_alpha2_7_9_1.o OFFSET_ccsdt_lr_alpha2_7_9_1.o ccsdt_lr_alpha2_7_9_2.o ccsdt_lr_alpha2_7_10.o ccsdt_lr_alpha2_7_10_1.o OFFSET_ccsdt_lr_alpha2_7_10_1.o ccsdt_lr_alpha2_7_11.o ccsdt_lr_alpha2_7_11_1.o OFFSET_ccsdt_lr_alpha2_7_11_1.o ccsdt_lr_alpha2_7_12.o ccsdt_lr_alpha2_7_12_1.o OFFSET_ccsdt_lr_alpha2_7_12_1.o ccsdt_lr_alpha2_7_12_1_1.o OFFSET_ccsdt_lr_alpha2_7_12_1_1.o ccsdt_lr_alpha2_7_12_2.o ccsdt_lr_alpha2_7_12_2_1.o OFFSET_ccsdt_lr_alpha2_7_12_2_1.o ccsdt_lr_alpha2_7_13.o ccsdt_lr_alpha2_7_13_1.o OFFSET_ccsdt_lr_alpha2_7_13_1.o ccsdt_lr_alpha2_7_13_1_1.o OFFSET_ccsdt_lr_alpha2_7_13_1_1.o ccsdt_lr_alpha2_7_13_1_2.o ccsdt_lr_alpha2_7_13_2.o ccsdt_lr_alpha2_7_13_2_1.o OFFSET_ccsdt_lr_alpha2_7_13_2_1.o ccsdt_lr_alpha2_7_13_2_2.o ccsdt_lr_alpha2_7_14.o ccsdt_lr_alpha2_7_14_1.o OFFSET_ccsdt_lr_alpha2_7_14_1.o ccsdt_lr_alpha2_7_14_1_1.o OFFSET_ccsdt_lr_alpha2_7_14_1_1.o ccsdt_lr_alpha2_7_14_2.o ccsdt_lr_alpha2_7_14_2_1.o OFFSET_ccsdt_lr_alpha2_7_14_2_1.o ccsdt_lr_alpha2_7_15.o ccsdt_lr_alpha2_7_15_1.o OFFSET_ccsdt_lr_alpha2_7_15_1.o ccsdt_lr_alpha2_7_15_1_1.o OFFSET_ccsdt_lr_alpha2_7_15_1_1.o ccsdt_lr_alpha2_7_15_2.o ccsdt_lr_alpha2_7_15_2_1.o OFFSET_ccsdt_lr_alpha2_7_15_2_1.o ccsdt_lr_alpha2_8.o ccsdt_lr_alpha2_8_1.o OFFSET_ccsdt_lr_alpha2_8_1.o ccsdt_lr_alpha2_8_1_1.o OFFSET_ccsdt_lr_alpha2_8_1_1.o ccsdt_lr_alpha2_8_2.o ccsdt_lr_alpha2_8_2_1.o OFFSET_ccsdt_lr_alpha2_8_2_1.o ccsdt_lr_alpha2_9.o ccsdt_lr_alpha2_9_1.o OFFSET_ccsdt_lr_alpha2_9_1.o ccsdt_lr_alpha2_9_1_1.o OFFSET_ccsdt_lr_alpha2_9_1_1.o ccsdt_lr_alpha2_9_1_2.o ccsdt_lr_alpha2_9_2.o ccsdt_lr_alpha2_9_2_1.o OFFSET_ccsdt_lr_alpha2_9_2_1.o ccsdt_lr_alpha2_9_2_2.o ccsdt_lr_alpha2_9_2_3.o ccsdt_lr_alpha2_9_2_3_1.o OFFSET_ccsdt_lr_alpha2_9_2_3_1.o ccsdt_lr_alpha2_9_2_4.o ccsdt_lr_alpha2_9_2_4_1.o OFFSET_ccsdt_lr_alpha2_9_2_4_1.o ccsdt_lr_alpha2_9_3.o ccsdt_lr_alpha2_9_3_1.o OFFSET_ccsdt_lr_alpha2_9_3_1.o ccsdt_lr_alpha2_9_4.o ccsdt_lr_alpha2_9_4_1.o OFFSET_ccsdt_lr_alpha2_9_4_1.o ccsdt_lr_alpha2_9_4_2.o ccsdt_lr_alpha2_9_4_3.o ccsdt_lr_alpha2_9_4_3_1.o OFFSET_ccsdt_lr_alpha2_9_4_3_1.o ccsdt_lr_alpha2_9_4_4.o ccsdt_lr_alpha2_9_4_4_1.o OFFSET_ccsdt_lr_alpha2_9_4_4_1.o ccsdt_lr_alpha2_9_5.o ccsdt_lr_alpha2_9_5_1.o OFFSET_ccsdt_lr_alpha2_9_5_1.o ccsdt_lr_alpha2_9_6.o ccsdt_lr_alpha2_9_6_1.o OFFSET_ccsdt_lr_alpha2_9_6_1.o ccsdt_lr_alpha2_9_7.o ccsdt_lr_alpha2_9_7_1.o OFFSET_ccsdt_lr_alpha2_9_7_1.o ccsdt_lr_alpha2_9_7_2.o ccsdt_lr_alpha2_9_7_2_1.o OFFSET_ccsdt_lr_alpha2_9_7_2_1.o ccsdt_lr_alpha2_9_7_3.o ccsdt_lr_alpha2_9_7_3_1.o OFFSET_ccsdt_lr_alpha2_9_7_3_1.o ccsdt_lr_alpha2_9_8.o ccsdt_lr_alpha2_9_8_1.o OFFSET_ccsdt_lr_alpha2_9_8_1.o ccsdt_lr_alpha2_9_9.o ccsdt_lr_alpha2_9_9_1.o OFFSET_ccsdt_lr_alpha2_9_9_1.o ccsdt_lr_alpha2_9_9_2.o ccsdt_lr_alpha2_9_10.o ccsdt_lr_alpha2_9_10_1.o OFFSET_ccsdt_lr_alpha2_9_10_1.o ccsdt_lr_alpha2_9_11.o ccsdt_lr_alpha2_9_11_1.o OFFSET_ccsdt_lr_alpha2_9_11_1.o ccsdt_lr_alpha2_9_12.o ccsdt_lr_alpha2_9_12_1.o OFFSET_ccsdt_lr_alpha2_9_12_1.o ccsdt_lr_alpha2_9_13.o ccsdt_lr_alpha2_9_13_1.o OFFSET_ccsdt_lr_alpha2_9_13_1.o ccsdt_lr_alpha2_9_13_2.o ccsdt_lr_alpha2_9_13_2_1.o OFFSET_ccsdt_lr_alpha2_9_13_2_1.o ccsdt_lr_alpha2_9_13_3.o ccsdt_lr_alpha2_9_13_3_1.o OFFSET_ccsdt_lr_alpha2_9_13_3_1.o ccsdt_lr_alpha2_9_14.o ccsdt_lr_alpha2_9_14_1.o OFFSET_ccsdt_lr_alpha2_9_14_1.o ccsdt_lr_alpha2_9_15.o ccsdt_lr_alpha2_9_15_1.o OFFSET_ccsdt_lr_alpha2_9_15_1.o ccsdt_lr_alpha2_9_15_1_1.o OFFSET_ccsdt_lr_alpha2_9_15_1_1.o ccsdt_lr_alpha2_9_15_1_2.o ccsdt_lr_alpha2_9_15_1_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_1_2_1.o ccsdt_lr_alpha2_9_15_1_2_2.o ccsdt_lr_alpha2_9_15_1_3.o ccsdt_lr_alpha2_9_15_1_3_1.o OFFSET_ccsdt_lr_alpha2_9_15_1_3_1.o ccsdt_lr_alpha2_9_15_1_3_2.o ccsdt_lr_alpha2_9_15_2.o ccsdt_lr_alpha2_9_15_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_2_1.o ccsdt_lr_alpha2_9_15_3.o ccsdt_lr_alpha2_9_15_3_1.o OFFSET_ccsdt_lr_alpha2_9_15_3_1.o ccsdt_lr_alpha2_9_15_4.o ccsdt_lr_alpha2_9_15_4_1.o OFFSET_ccsdt_lr_alpha2_9_15_4_1.o ccsdt_lr_alpha2_9_15_4_2.o ccsdt_lr_alpha2_9_15_4_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_4_2_1.o ccsdt_lr_alpha2_9_15_4_2_2.o ccsdt_lr_alpha2_9_15_4_3.o ccsdt_lr_alpha2_9_15_4_3_1.o OFFSET_ccsdt_lr_alpha2_9_15_4_3_1.o ccsdt_lr_alpha2_9_15_4_3_2.o ccsdt_lr_alpha2_9_15_5.o ccsdt_lr_alpha2_9_15_5_1.o OFFSET_ccsdt_lr_alpha2_9_15_5_1.o ccsdt_lr_alpha2_9_15_6.o ccsdt_lr_alpha2_9_15_6_1.o OFFSET_ccsdt_lr_alpha2_9_15_6_1.o ccsdt_lr_alpha2_9_15_7.o ccsdt_lr_alpha2_9_15_7_1.o OFFSET_ccsdt_lr_alpha2_9_15_7_1.o ccsdt_lr_alpha2_9_15_7_1_1.o OFFSET_ccsdt_lr_alpha2_9_15_7_1_1.o ccsdt_lr_alpha2_9_15_8.o ccsdt_lr_alpha2_9_15_8_1.o OFFSET_ccsdt_lr_alpha2_9_15_8_1.o ccsdt_lr_alpha2_9_15_8_1_1.o OFFSET_ccsdt_lr_alpha2_9_15_8_1_1.o ccsdt_lr_alpha2_9_15_8_2.o ccsdt_lr_alpha2_9_15_8_2_1.o OFFSET_ccsdt_lr_alpha2_9_15_8_2_1.o ccsdt_lr_alpha2_9_16.o ccsdt_lr_alpha2_9_16_1.o OFFSET_ccsdt_lr_alpha2_9_16_1.o ccsdt_lr_alpha2_9_16_1_1.o OFFSET_ccsdt_lr_alpha2_9_16_1_1.o ccsdt_lr_alpha2_9_16_2.o ccsdt_lr_alpha2_9_16_2_1.o OFFSET_ccsdt_lr_alpha2_9_16_2_1.o ccsdt_lr_alpha2_9_17.o ccsdt_lr_alpha2_9_17_1.o OFFSET_ccsdt_lr_alpha2_9_17_1.o ccsdt_lr_alpha2_9_17_1_1.o OFFSET_ccsdt_lr_alpha2_9_17_1_1.o ccsdt_lr_alpha2_9_17_2.o ccsdt_lr_alpha2_9_17_2_1.o OFFSET_ccsdt_lr_alpha2_9_17_2_1.o ccsdt_lr_alpha2_9_18.o ccsdt_lr_alpha2_9_18_1.o OFFSET_ccsdt_lr_alpha2_9_18_1.o ccsdt_lr_alpha2_9_18_1_1.o OFFSET_ccsdt_lr_alpha2_9_18_1_1.o ccsdt_lr_alpha2_9_18_2.o ccsdt_lr_alpha2_9_18_2_1.o OFFSET_ccsdt_lr_alpha2_9_18_2_1.o ccsdt_lr_alpha2_9_19.o ccsdt_lr_alpha2_9_19_1.o OFFSET_ccsdt_lr_alpha2_9_19_1.o ccsdt_lr_alpha2_9_19_1_1.o OFFSET_ccsdt_lr_alpha2_9_19_1_1.o ccsdt_lr_alpha2_9_19_2.o ccsdt_lr_alpha2_9_19_2_1.o OFFSET_ccsdt_lr_alpha2_9_19_2_1.o ccsdt_lr_alpha2_9_19_3.o ccsdt_lr_alpha2_9_19_3_1.o OFFSET_ccsdt_lr_alpha2_9_19_3_1.o ccsdt_lr_alpha2_9_19_4.o ccsdt_lr_alpha2_9_19_4_1.o OFFSET_ccsdt_lr_alpha2_9_19_4_1.o ccsdt_lr_alpha2_9_20.o ccsdt_lr_alpha2_9_20_1.o OFFSET_ccsdt_lr_alpha2_9_20_1.o ccsdt_lr_alpha2_9_20_1_1.o OFFSET_ccsdt_lr_alpha2_9_20_1_1.o ccsdt_lr_alpha2_9_20_2.o ccsdt_lr_alpha2_9_20_2_1.o OFFSET_ccsdt_lr_alpha2_9_20_2_1.o ccsdt_lr_alpha2_9_21.o ccsdt_lr_alpha2_9_21_1.o OFFSET_ccsdt_lr_alpha2_9_21_1.o ccsdt_lr_alpha2_9_21_1_1.o OFFSET_ccsdt_lr_alpha2_9_21_1_1.o ccsdt_lr_alpha2_9_21_2.o ccsdt_lr_alpha2_9_21_2_1.o OFFSET_ccsdt_lr_alpha2_9_21_2_1.o ccsdt_lr_alpha2_9_22.o ccsdt_lr_alpha2_9_22_1.o OFFSET_ccsdt_lr_alpha2_9_22_1.o ccsdt_lr_alpha2_9_22_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_1_1.o ccsdt_lr_alpha2_9_22_1_2.o ccsdt_lr_alpha2_9_22_1_3.o ccsdt_lr_alpha2_9_22_1_3_1.o OFFSET_ccsdt_lr_alpha2_9_22_1_3_1.o ccsdt_lr_alpha2_9_22_1_3_2.o ccsdt_lr_alpha2_9_22_1_4.o ccsdt_lr_alpha2_9_22_1_4_1.o OFFSET_ccsdt_lr_alpha2_9_22_1_4_1.o ccsdt_lr_alpha2_9_22_1_4_2.o ccsdt_lr_alpha2_9_22_2.o ccsdt_lr_alpha2_9_22_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_2_1.o ccsdt_lr_alpha2_9_22_3.o ccsdt_lr_alpha2_9_22_3_1.o OFFSET_ccsdt_lr_alpha2_9_22_3_1.o ccsdt_lr_alpha2_9_22_4.o ccsdt_lr_alpha2_9_22_4_1.o OFFSET_ccsdt_lr_alpha2_9_22_4_1.o ccsdt_lr_alpha2_9_22_4_2.o ccsdt_lr_alpha2_9_22_4_3.o ccsdt_lr_alpha2_9_22_4_3_1.o OFFSET_ccsdt_lr_alpha2_9_22_4_3_1.o ccsdt_lr_alpha2_9_22_4_3_2.o ccsdt_lr_alpha2_9_22_4_4.o ccsdt_lr_alpha2_9_22_4_4_1.o OFFSET_ccsdt_lr_alpha2_9_22_4_4_1.o ccsdt_lr_alpha2_9_22_4_4_2.o ccsdt_lr_alpha2_9_22_5.o ccsdt_lr_alpha2_9_22_5_1.o OFFSET_ccsdt_lr_alpha2_9_22_5_1.o ccsdt_lr_alpha2_9_22_6.o ccsdt_lr_alpha2_9_22_6_1.o OFFSET_ccsdt_lr_alpha2_9_22_6_1.o ccsdt_lr_alpha2_9_22_7.o ccsdt_lr_alpha2_9_22_7_1.o OFFSET_ccsdt_lr_alpha2_9_22_7_1.o ccsdt_lr_alpha2_9_22_7_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_7_1_1.o ccsdt_lr_alpha2_9_22_7_2.o ccsdt_lr_alpha2_9_22_7_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_7_2_1.o ccsdt_lr_alpha2_9_22_8.o ccsdt_lr_alpha2_9_22_8_1.o OFFSET_ccsdt_lr_alpha2_9_22_8_1.o ccsdt_lr_alpha2_9_22_8_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_8_1_1.o ccsdt_lr_alpha2_9_22_8_1_2.o ccsdt_lr_alpha2_9_22_8_2.o ccsdt_lr_alpha2_9_22_8_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_8_2_1.o ccsdt_lr_alpha2_9_22_8_2_2.o ccsdt_lr_alpha2_9_22_9.o ccsdt_lr_alpha2_9_22_9_1.o OFFSET_ccsdt_lr_alpha2_9_22_9_1.o ccsdt_lr_alpha2_9_22_9_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_9_1_1.o ccsdt_lr_alpha2_9_22_9_2.o ccsdt_lr_alpha2_9_22_9_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_9_2_1.o ccsdt_lr_alpha2_9_22_10.o ccsdt_lr_alpha2_9_22_10_1.o OFFSET_ccsdt_lr_alpha2_9_22_10_1.o ccsdt_lr_alpha2_9_22_10_1_1.o OFFSET_ccsdt_lr_alpha2_9_22_10_1_1.o ccsdt_lr_alpha2_9_22_10_2.o ccsdt_lr_alpha2_9_22_10_2_1.o OFFSET_ccsdt_lr_alpha2_9_22_10_2_1.o ccsdt_lr_alpha2_9_23.o ccsdt_lr_alpha2_9_23_1.o OFFSET_ccsdt_lr_alpha2_9_23_1.o ccsdt_lr_alpha2_9_23_1_1.o OFFSET_ccsdt_lr_alpha2_9_23_1_1.o ccsdt_lr_alpha2_9_23_2.o ccsdt_lr_alpha2_9_23_2_1.o OFFSET_ccsdt_lr_alpha2_9_23_2_1.o ccsdt_lr_alpha2_9_24.o ccsdt_lr_alpha2_9_24_1.o OFFSET_ccsdt_lr_alpha2_9_24_1.o ccsdt_lr_alpha2_9_24_1_1.o OFFSET_ccsdt_lr_alpha2_9_24_1_1.o ccsdt_lr_alpha2_9_24_2.o ccsdt_lr_alpha2_9_24_2_1.o OFFSET_ccsdt_lr_alpha2_9_24_2_1.o ccsdt_lr_alpha2_9_25.o ccsdt_lr_alpha2_9_25_1.o OFFSET_ccsdt_lr_alpha2_9_25_1.o ccsdt_lr_alpha2_9_25_1_1.o OFFSET_ccsdt_lr_alpha2_9_25_1_1.o ccsdt_lr_alpha2_9_25_2.o ccsdt_lr_alpha2_9_25_2_1.o OFFSET_ccsdt_lr_alpha2_9_25_2_1.o ccsdt_lr_alpha2_9_25_3.o ccsdt_lr_alpha2_9_25_3_1.o OFFSET_ccsdt_lr_alpha2_9_25_3_1.o ccsdt_lr_alpha2_9_25_4.o ccsdt_lr_alpha2_9_25_4_1.o OFFSET_ccsdt_lr_alpha2_9_25_4_1.o ccsdt_lr_alpha2_9_26.o ccsdt_lr_alpha2_9_26_1.o OFFSET_ccsdt_lr_alpha2_9_26_1.o ccsdt_lr_alpha2_9_26_1_1.o OFFSET_ccsdt_lr_alpha2_9_26_1_1.o ccsdt_lr_alpha2_9_26_2.o ccsdt_lr_alpha2_9_26_2_1.o OFFSET_ccsdt_lr_alpha2_9_26_2_1.o ccsdt_lr_alpha2_9_27.o ccsdt_lr_alpha2_9_27_1.o OFFSET_ccsdt_lr_alpha2_9_27_1.o ccsdt_lr_alpha2_9_27_1_1.o OFFSET_ccsdt_lr_alpha2_9_27_1_1.o ccsdt_lr_alpha2_9_27_2.o ccsdt_lr_alpha2_9_27_2_1.o OFFSET_ccsdt_lr_alpha2_9_27_2_1.o ccsdt_lr_alpha2_9_28.o ccsdt_lr_alpha2_9_28_1.o OFFSET_ccsdt_lr_alpha2_9_28_1.o ccsdt_lr_alpha2_9_28_1_1.o OFFSET_ccsdt_lr_alpha2_9_28_1_1.o ccsdt_lr_alpha2_9_28_1_2.o ccsdt_lr_alpha2_9_28_1_3.o ccsdt_lr_alpha2_9_28_1_3_1.o OFFSET_ccsdt_lr_alpha2_9_28_1_3_1.o ccsdt_lr_alpha2_9_28_1_3_2.o ccsdt_lr_alpha2_9_28_1_4.o ccsdt_lr_alpha2_9_28_1_4_1.o OFFSET_ccsdt_lr_alpha2_9_28_1_4_1.o ccsdt_lr_alpha2_9_28_1_4_2.o ccsdt_lr_alpha2_9_28_2.o ccsdt_lr_alpha2_9_28_2_1.o OFFSET_ccsdt_lr_alpha2_9_28_2_1.o ccsdt_lr_alpha2_9_28_3.o ccsdt_lr_alpha2_9_28_3_1.o OFFSET_ccsdt_lr_alpha2_9_28_3_1.o ccsdt_lr_alpha2_9_28_4.o ccsdt_lr_alpha2_9_28_4_1.o OFFSET_ccsdt_lr_alpha2_9_28_4_1.o ccsdt_lr_alpha2_9_28_4_2.o ccsdt_lr_alpha2_9_28_4_3.o ccsdt_lr_alpha2_9_28_4_3_1.o OFFSET_ccsdt_lr_alpha2_9_28_4_3_1.o ccsdt_lr_alpha2_9_28_4_3_2.o ccsdt_lr_alpha2_9_28_5.o ccsdt_lr_alpha2_9_28_5_1.o OFFSET_ccsdt_lr_alpha2_9_28_5_1.o ccsdt_lr_alpha2_9_28_6.o ccsdt_lr_alpha2_9_28_6_1.o OFFSET_ccsdt_lr_alpha2_9_28_6_1.o ccsdt_lr_alpha2_9_28_7.o ccsdt_lr_alpha2_9_28_7_1.o OFFSET_ccsdt_lr_alpha2_9_28_7_1.o ccsdt_lr_alpha2_9_28_7_1_1.o OFFSET_ccsdt_lr_alpha2_9_28_7_1_1.o ccsdt_lr_alpha2_9_28_7_2.o ccsdt_lr_alpha2_9_28_7_2_1.o OFFSET_ccsdt_lr_alpha2_9_28_7_2_1.o ccsdt_lr_alpha2_9_28_8.o ccsdt_lr_alpha2_9_28_8_1.o OFFSET_ccsdt_lr_alpha2_9_28_8_1.o ccsdt_lr_alpha2_9_28_8_1_1.o OFFSET_ccsdt_lr_alpha2_9_28_8_1_1.o ccsdt_lr_alpha2_9_29.o ccsdt_lr_alpha2_9_29_1.o OFFSET_ccsdt_lr_alpha2_9_29_1.o ccsdt_lr_alpha2_9_29_1_1.o OFFSET_ccsdt_lr_alpha2_9_29_1_1.o ccsdt_lr_alpha2_9_29_2.o ccsdt_lr_alpha2_9_29_2_1.o OFFSET_ccsdt_lr_alpha2_9_29_2_1.o ccsdt_lr_alpha2_9_30.o ccsdt_lr_alpha2_9_30_1.o OFFSET_ccsdt_lr_alpha2_9_30_1.o ccsdt_lr_alpha2_9_30_1_1.o OFFSET_ccsdt_lr_alpha2_9_30_1_1.o ccsdt_lr_alpha2_9_30_2.o ccsdt_lr_alpha2_9_30_2_1.o OFFSET_ccsdt_lr_alpha2_9_30_2_1.o ccsdt_lr_alpha2_9_31.o ccsdt_lr_alpha2_9_31_1.o OFFSET_ccsdt_lr_alpha2_9_31_1.o ccsdt_lr_alpha2_9_31_1_1.o OFFSET_ccsdt_lr_alpha2_9_31_1_1.o ccsdt_lr_alpha2_9_31_2.o ccsdt_lr_alpha2_9_31_2_1.o OFFSET_ccsdt_lr_alpha2_9_31_2_1.o ccsdt_lr_alpha2_9_31_3.o ccsdt_lr_alpha2_9_31_3_1.o OFFSET_ccsdt_lr_alpha2_9_31_3_1.o ccsdt_lr_alpha2_9_31_4.o ccsdt_lr_alpha2_9_31_4_1.o OFFSET_ccsdt_lr_alpha2_9_31_4_1.o ccsdt_lr_alpha2_9_32.o ccsdt_lr_alpha2_9_32_1.o OFFSET_ccsdt_lr_alpha2_9_32_1.o ccsdt_lr_alpha2_9_32_1_1.o OFFSET_ccsdt_lr_alpha2_9_32_1_1.o ccsdt_lr_alpha2_9_32_2.o ccsdt_lr_alpha2_9_32_2_1.o OFFSET_ccsdt_lr_alpha2_9_32_2_1.o ccsdt_lr_alpha2_9_33.o ccsdt_lr_alpha2_9_33_1.o OFFSET_ccsdt_lr_alpha2_9_33_1.o ccsdt_lr_alpha2_9_33_1_1.o OFFSET_ccsdt_lr_alpha2_9_33_1_1.o ccsdt_lr_alpha2_9_33_2.o ccsdt_lr_alpha2_9_33_2_1.o OFFSET_ccsdt_lr_alpha2_9_33_2_1.o ccsdt_lr_alpha2_9_34.o ccsdt_lr_alpha2_9_34_1.o OFFSET_ccsdt_lr_alpha2_9_34_1.o ccsdt_lr_alpha2_9_34_1_1.o OFFSET_ccsdt_lr_alpha2_9_34_1_1.o ccsdt_lr_alpha2_9_34_2.o ccsdt_lr_alpha2_9_34_2_1.o OFFSET_ccsdt_lr_alpha2_9_34_2_1.o ccsdt_lr_alpha2_10.o ccsdt_lr_alpha2_10_1.o OFFSET_ccsdt_lr_alpha2_10_1.o ccsdt_lr_alpha2_10_1_1.o OFFSET_ccsdt_lr_alpha2_10_1_1.o ccsdt_lr_alpha2_10_2.o ccsdt_lr_alpha2_10_2_1.o OFFSET_ccsdt_lr_alpha2_10_2_1.o ccsdt_lr_alpha2_10_3.o ccsdt_lr_alpha2_10_3_1.o OFFSET_ccsdt_lr_alpha2_10_3_1.o ccsdt_lr_alpha2_10_4.o ccsdt_lr_alpha2_10_4_1.o OFFSET_ccsdt_lr_alpha2_10_4_1.o ccsdt_lr_alpha2_10_5.o ccsdt_lr_alpha2_10_5_1.o OFFSET_ccsdt_lr_alpha2_10_5_1.o ccsdt_lr_alpha2_10_6.o ccsdt_lr_alpha2_10_6_1.o OFFSET_ccsdt_lr_alpha2_10_6_1.o ccsdt_lr_alpha2_10_7.o ccsdt_lr_alpha2_10_7_1.o OFFSET_ccsdt_lr_alpha2_10_7_1.o ccsdt_lr_alpha2_10_8.o ccsdt_lr_alpha2_10_8_1.o OFFSET_ccsdt_lr_alpha2_10_8_1.o ccsdt_lr_alpha2_10_9.o ccsdt_lr_alpha2_10_9_1.o OFFSET_ccsdt_lr_alpha2_10_9_1.o ccsdt_lr_alpha2_10_10.o ccsdt_lr_alpha2_10_10_1.o OFFSET_ccsdt_lr_alpha2_10_10_1.o ccsdt_lr_alpha2_10_11.o ccsdt_lr_alpha2_10_11_1.o OFFSET_ccsdt_lr_alpha2_10_11_1.o ccsdt_lr_alpha2_10_11_1_1.o OFFSET_ccsdt_lr_alpha2_10_11_1_1.o ccsdt_lr_alpha2_10_11_2.o ccsdt_lr_alpha2_10_11_2_1.o OFFSET_ccsdt_lr_alpha2_10_11_2_1.o ccsdt_lr_alpha2_10_11_3.o ccsdt_lr_alpha2_10_11_3_1.o OFFSET_ccsdt_lr_alpha2_10_11_3_1.o ccsdt_lr_alpha2_10_11_4.o ccsdt_lr_alpha2_10_11_4_1.o OFFSET_ccsdt_lr_alpha2_10_11_4_1.o ccsdt_lr_alpha2_10_12.o ccsdt_lr_alpha2_10_12_1.o OFFSET_ccsdt_lr_alpha2_10_12_1.o ccsdt_lr_alpha2_10_12_1_1.o OFFSET_ccsdt_lr_alpha2_10_12_1_1.o ccsdt_lr_alpha2_10_12_2.o ccsdt_lr_alpha2_10_12_2_1.o OFFSET_ccsdt_lr_alpha2_10_12_2_1.o ccsdt_lr_alpha2_10_12_3.o ccsdt_lr_alpha2_10_12_3_1.o OFFSET_ccsdt_lr_alpha2_10_12_3_1.o ccsdt_lr_alpha2_10_12_4.o ccsdt_lr_alpha2_10_12_4_1.o OFFSET_ccsdt_lr_alpha2_10_12_4_1.o ccsdt_lr_alpha2_10_13.o ccsdt_lr_alpha2_10_13_1.o OFFSET_ccsdt_lr_alpha2_10_13_1.o ccsdt_lr_alpha2_10_13_1_1.o OFFSET_ccsdt_lr_alpha2_10_13_1_1.o ccsdt_lr_alpha2_10_13_2.o ccsdt_lr_alpha2_10_13_2_1.o OFFSET_ccsdt_lr_alpha2_10_13_2_1.o ccsdt_lr_alpha2_10_13_3.o ccsdt_lr_alpha2_10_13_3_1.o OFFSET_ccsdt_lr_alpha2_10_13_3_1.o ccsdt_lr_alpha2_10_13_4.o ccsdt_lr_alpha2_10_13_4_1.o OFFSET_ccsdt_lr_alpha2_10_13_4_1.o ccsdt_lr_alpha2_11.o ccsdt_lr_alpha2_11_1.o OFFSET_ccsdt_lr_alpha2_11_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_alpha_new' Making all in ccsdt_yr make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' Compiling ccsdt_lambda_o1.F... Compiling ccsdt_lambda_o1_1.F... Compiling ccsdt_lambda_o1_1_1.F... Compiling OFFSET_ccsdt_lambda_o1_1_1.F... Compiling ccsdt_lambda_o1_1_2.F... Compiling ccsdt_lambda_o1_2.F... Compiling ccsdt_lambda_o1_3.F... Compiling ccsdt_lambda_o1_4.F... Compiling ccsdt_lambda_o1_4_1.F... Compiling OFFSET_ccsdt_lambda_o1_4_1.F... Compiling ccsdt_lambda_o1_4_2.F... Compiling ccsdt_lambda_o1_4_3.F... Compiling ccsdt_lambda_o1_5.F... Compiling ccsdt_lambda_o1_5_1.F... Compiling OFFSET_ccsdt_lambda_o1_5_1.F... Compiling ccsdt_lambda_o1_6.F... Compiling ccsdt_lambda_o1_6_1.F... Compiling OFFSET_ccsdt_lambda_o1_6_1.F... Compiling ccsdt_lambda_o2.F... Compiling ccsdt_lambda_o2_1.F... Compiling ccsdt_lambda_o2_2.F... Compiling ccsdt_lambda_o2_2_1.F... Compiling OFFSET_ccsdt_lambda_o2_2_1.F... Compiling ccsdt_lambda_o2_2_2.F... Compiling ccsdt_lambda_o2_3.F... Compiling ccsdt_lambda_o2_4.F... Compiling ccsdt_lambda_o2_4_1.F... Compiling OFFSET_ccsdt_lambda_o2_4_1.F... Compiling ccsdt_lambda_o2_4_2.F... Compiling ccsdt_lambda_o2_5.F... Compiling ccsdt_lambda_o2_5_1.F... Compiling OFFSET_ccsdt_lambda_o2_5_1.F... Compiling ccsdt_lambda_o3.F... Compiling ccsdt_lambda_o3_1.F... Compiling ccsdt_lambda_o3_2.F... Compiling ccsdt_lambda_o3_3.F... Compiling ccsdt_lambda_o3_4.F... Compiling ccsdt_lambda_o3_4_1.F... Compiling OFFSET_ccsdt_lambda_o3_4_1.F... Compiling ccsdt_lambda_o3_5.F... Compiling ccsdt_lambda_o3_5_1.F... Compiling OFFSET_ccsdt_lambda_o3_5_1.F... Compiling ccsdt_y_tr1.F... Compiling ccsdt_y_tr1_1.F... Compiling ccsdt_y_tr1_1_1.F... Compiling OFFSET_ccsdt_y_tr1_1_1.F... Compiling ccsdt_y_tr1_1_1_1.F... Compiling OFFSET_ccsdt_y_tr1_1_1_1.F... Compiling ccsdt_y_tr1_1_1_2.F... Compiling ccsdt_y_tr1_1_2.F... Compiling ccsdt_y_tr1_1_3.F... Compiling ccsdt_y_tr1_1_4.F... Compiling ccsdt_y_tr1_1_4_1.F... Compiling OFFSET_ccsdt_y_tr1_1_4_1.F... Compiling ccsdt_y_tr1_2.F... Compiling ccsdt_y_tr1_2_1.F... Compiling OFFSET_ccsdt_y_tr1_2_1.F... Compiling ccsdt_y_tr1_2_2.F... Compiling ccsdt_y_tr1_2_3.F... Compiling ccsdt_y_tr1_3.F... Compiling ccsdt_y_tr1_3_1.F... Compiling OFFSET_ccsdt_y_tr1_3_1.F... Compiling ccsdt_y_tr1_3_2.F... Compiling ccsdt_y_tr1_3_3.F... Compiling ccsdt_y_tr1_4.F... Compiling ccsdt_y_tr1_4_1.F... Compiling OFFSET_ccsdt_y_tr1_4_1.F... Compiling ccsdt_y_tr1_4_2.F... Compiling ccsdt_y_tr1_4_3.F... Compiling ccsdt_y_tr1_5.F... Compiling ccsdt_y_tr1_5_1.F... Compiling OFFSET_ccsdt_y_tr1_5_1.F... Compiling ccsdt_y_tr1_5_2.F... Compiling ccsdt_y_tr1_5_2_1.F... Compiling OFFSET_ccsdt_y_tr1_5_2_1.F... Compiling ccsdt_y_tr1_5_3.F... Compiling ccsdt_y_tr1_5_3_1.F... Compiling OFFSET_ccsdt_y_tr1_5_3_1.F... Compiling ccsdt_y_tr1_6.F... Compiling ccsdt_y_tr1_6_1.F... Compiling OFFSET_ccsdt_y_tr1_6_1.F... Compiling ccsdt_y_tr1_6_1_1.F... Compiling OFFSET_ccsdt_y_tr1_6_1_1.F... Compiling ccsdt_y_tr1_6_1_2.F... Compiling ccsdt_y_tr1_6_1_2_1.F... Compiling OFFSET_ccsdt_y_tr1_6_1_2_1.F... Compiling ccsdt_y_tr1_6_1_2_2.F... Compiling ccsdt_y_tr1_6_1_3.F... Compiling ccsdt_y_tr1_6_2.F... Compiling ccsdt_y_tr1_6_2_1.F... Compiling OFFSET_ccsdt_y_tr1_6_2_1.F... Compiling ccsdt_y_tr1_6_2_2.F... Compiling ccsdt_y_tr1_6_3.F... Compiling ccsdt_y_tr1_6_3_1.F... Compiling OFFSET_ccsdt_y_tr1_6_3_1.F... Compiling ccsdt_y_tr1_6_3_2.F... Compiling ccsdt_y_tr1_6_4.F... Compiling ccsdt_y_tr1_6_4_1.F... Compiling OFFSET_ccsdt_y_tr1_6_4_1.F... Compiling ccsdt_y_tr1_6_4_2.F... Compiling ccsdt_y_tr1_6_5.F... Compiling ccsdt_y_tr1_6_6.F... Compiling ccsdt_y_tr1_6_7.F... Compiling ccsdt_y_tr1_6_7_1.F... Compiling OFFSET_ccsdt_y_tr1_6_7_1.F... Compiling ccsdt_y_tr1_6_7_1_1.F... Compiling OFFSET_ccsdt_y_tr1_6_7_1_1.F... Compiling ccsdt_y_tr1_6_7_1_2.F... Compiling ccsdt_y_tr1_6_7_2.F... Compiling ccsdt_y_tr1_6_7_3.F... Compiling ccsdt_y_tr1_6_7_3_1.F... Compiling OFFSET_ccsdt_y_tr1_6_7_3_1.F... Compiling ccsdt_y_tr1_6_8.F... Compiling ccsdt_y_tr1_6_8_1.F... Compiling OFFSET_ccsdt_y_tr1_6_8_1.F... Compiling ccsdt_y_tr1_6_9.F... Compiling ccsdt_y_tr1_6_9_1.F... Compiling OFFSET_ccsdt_y_tr1_6_9_1.F... Compiling ccsdt_y_tr1_6_10.F... Compiling ccsdt_y_tr1_6_10_1.F... Compiling OFFSET_ccsdt_y_tr1_6_10_1.F... Compiling ccsdt_y_tr1_7.F... Compiling ccsdt_y_tr1_7_1.F... Compiling OFFSET_ccsdt_y_tr1_7_1.F... Compiling ccsdt_y_tr1_7_2.F... Compiling ccsdt_y_tr1_8.F... Compiling ccsdt_y_tr1_8_1.F... Compiling OFFSET_ccsdt_y_tr1_8_1.F... Compiling ccsdt_y_tr1_9.F... Compiling ccsdt_y_tr1_9_1.F... Compiling OFFSET_ccsdt_y_tr1_9_1.F... Compiling ccsdt_y_tr1_9_2.F... Compiling ccsdt_y_tr1_9_3.F... Compiling ccsdt_y_tr1_9_3_1.F... Compiling OFFSET_ccsdt_y_tr1_9_3_1.F... Compiling ccsdt_y_tr1_9_3_2.F... Compiling ccsdt_y_tr1_9_3_3.F... Compiling ccsdt_y_tr1_9_4.F... Compiling ccsdt_y_tr1_9_4_1.F... Compiling OFFSET_ccsdt_y_tr1_9_4_1.F... Compiling ccsdt_y_tr1_9_4_2.F... Compiling ccsdt_y_tr1_9_4_3.F... Compiling ccsdt_y_tr1_9_5.F... Compiling ccsdt_y_tr1_9_5_1.F... Compiling OFFSET_ccsdt_y_tr1_9_5_1.F... Compiling ccsdt_y_tr1_9_5_2.F... Compiling ccsdt_y_tr1_9_5_2_1.F... Compiling OFFSET_ccsdt_y_tr1_9_5_2_1.F... Compiling ccsdt_y_tr1_9_5_2_2.F... Compiling ccsdt_y_tr1_9_6.F... Compiling ccsdt_y_tr1_9_6_1.F... Compiling OFFSET_ccsdt_y_tr1_9_6_1.F... Compiling ccsdt_y_tr1_9_7.F... Compiling ccsdt_y_tr1_9_7_1.F... Compiling OFFSET_ccsdt_y_tr1_9_7_1.F... Compiling ccsdt_y_tr1_9_7_2.F... Compiling ccsdt_y_tr1_9_7_2_1.F... Compiling OFFSET_ccsdt_y_tr1_9_7_2_1.F... Compiling ccsdt_y_tr1_9_7_2_2.F... Compiling ccsdt_y_tr1_9_8.F... Compiling ccsdt_y_tr1_9_8_1.F... Compiling OFFSET_ccsdt_y_tr1_9_8_1.F... Compiling ccsdt_y_tr1_10.F... Compiling ccsdt_y_tr1_10_1.F... Compiling OFFSET_ccsdt_y_tr1_10_1.F... Compiling ccsdt_y_tr1_10_2.F... Compiling ccsdt_y_tr1_10_3.F... Compiling ccsdt_y_tr1_10_3_1.F... Compiling OFFSET_ccsdt_y_tr1_10_3_1.F... Compiling ccsdt_y_tr1_10_3_2.F... Compiling ccsdt_y_tr1_10_3_3.F... Compiling ccsdt_y_tr1_10_3_3_1.F... Compiling OFFSET_ccsdt_y_tr1_10_3_3_1.F... Compiling ccsdt_y_tr1_10_3_3_2.F... Compiling ccsdt_y_tr1_10_3_4.F... Compiling ccsdt_y_tr1_10_3_4_1.F... Compiling OFFSET_ccsdt_y_tr1_10_3_4_1.F... Compiling ccsdt_y_tr1_10_3_4_2.F... Compiling ccsdt_y_tr1_10_4.F... Compiling ccsdt_y_tr1_10_4_1.F... Compiling OFFSET_ccsdt_y_tr1_10_4_1.F... Compiling ccsdt_y_tr1_10_5.F... Compiling ccsdt_y_tr1_10_5_1.F... Compiling OFFSET_ccsdt_y_tr1_10_5_1.F... Compiling ccsdt_y_tr1_10_5_2.F... Compiling ccsdt_y_tr1_10_6.F... Compiling ccsdt_y_tr1_10_6_1.F... Compiling OFFSET_ccsdt_y_tr1_10_6_1.F... Compiling ccsdt_y_tr1_10_7.F... Compiling ccsdt_y_tr1_10_7_1.F... Compiling OFFSET_ccsdt_y_tr1_10_7_1.F... Compiling ccsdt_y_tr1_10_8.F... Compiling ccsdt_y_tr1_10_8_1.F... Compiling OFFSET_ccsdt_y_tr1_10_8_1.F... Compiling ccsdt_y_tr1_10_8_1_1.F... Compiling OFFSET_ccsdt_y_tr1_10_8_1_1.F... Compiling ccsdt_y_tr1_10_8_1_2.F... Compiling ccsdt_y_tr1_10_9.F... Compiling ccsdt_y_tr1_10_9_1.F... Compiling OFFSET_ccsdt_y_tr1_10_9_1.F... Compiling ccsdt_y_tr1_10_9_2.F... Compiling ccsdt_y_tr1_10_9_3.F... Compiling ccsdt_y_tr1_10_9_3_1.F... Compiling OFFSET_ccsdt_y_tr1_10_9_3_1.F... Compiling ccsdt_y_tr1_10_9_3_2.F... Compiling ccsdt_y_tr1_10_10.F... Compiling ccsdt_y_tr1_10_10_1.F... Compiling OFFSET_ccsdt_y_tr1_10_10_1.F... Compiling ccsdt_y_tr1_10_11.F... Compiling ccsdt_y_tr1_10_11_1.F... Compiling OFFSET_ccsdt_y_tr1_10_11_1.F... Compiling ccsdt_y_tr1_10_11_2.F... Compiling ccsdt_y_tr1_10_12.F... Compiling ccsdt_y_tr1_10_12_1.F... Compiling OFFSET_ccsdt_y_tr1_10_12_1.F... Compiling ccsdt_y_tr1_10_13.F... Compiling ccsdt_y_tr1_10_13_1.F... Compiling OFFSET_ccsdt_y_tr1_10_13_1.F... Compiling ccsdt_y_tr1_10_14.F... Compiling ccsdt_y_tr1_10_14_1.F... Compiling OFFSET_ccsdt_y_tr1_10_14_1.F... Compiling ccsdt_y_tr1_10_14_1_1.F... Compiling OFFSET_ccsdt_y_tr1_10_14_1_1.F... Compiling ccsdt_y_tr1_10_14_1_2.F... Compiling ccsdt_y_tr1_10_15.F... Compiling ccsdt_y_tr1_10_15_1.F... Compiling OFFSET_ccsdt_y_tr1_10_15_1.F... Compiling ccsdt_y_tr1_10_15_1_1.F... Compiling OFFSET_ccsdt_y_tr1_10_15_1_1.F... Compiling ccsdt_y_tr1_10_16.F... Compiling ccsdt_y_tr1_10_16_1.F... Compiling OFFSET_ccsdt_y_tr1_10_16_1.F... Compiling ccsdt_y_tr1_10_16_1_1.F... Compiling OFFSET_ccsdt_y_tr1_10_16_1_1.F... Compiling ccsdt_y_tr1_10_16_2.F... Compiling ccsdt_y_tr1_10_16_2_1.F... Compiling OFFSET_ccsdt_y_tr1_10_16_2_1.F... Compiling ccsdt_y_tr1_11.F... Compiling ccsdt_y_tr1_11_1.F... Compiling OFFSET_ccsdt_y_tr1_11_1.F... Compiling ccsdt_y_tr1_11_2.F... Compiling ccsdt_y_tr1_11_3.F... Compiling ccsdt_y_tr1_11_3_1.F... Compiling OFFSET_ccsdt_y_tr1_11_3_1.F... Compiling ccsdt_y_tr1_11_4.F... Compiling ccsdt_y_tr1_11_4_1.F... Compiling OFFSET_ccsdt_y_tr1_11_4_1.F... Compiling ccsdt_y_tr1_11_5.F... Compiling ccsdt_y_tr1_11_5_1.F... Compiling OFFSET_ccsdt_y_tr1_11_5_1.F... Compiling ccsdt_y_tr1_11_6.F... Compiling ccsdt_y_tr1_11_6_1.F... Compiling OFFSET_ccsdt_y_tr1_11_6_1.F... Compiling ccsdt_y_tr1_12.F... Compiling ccsdt_y_tr1_12_1.F... Compiling OFFSET_ccsdt_y_tr1_12_1.F... Compiling ccsdt_y_tr1_12_2.F... Compiling ccsdt_y_tr1_12_3.F... Compiling ccsdt_y_tr1_12_3_1.F... Compiling OFFSET_ccsdt_y_tr1_12_3_1.F... Compiling ccsdt_y_tr1_12_3_2.F... Compiling ccsdt_y_tr1_12_4.F... Compiling ccsdt_y_tr1_12_4_1.F... Compiling OFFSET_ccsdt_y_tr1_12_4_1.F... Compiling ccsdt_y_tr1_12_4_2.F... Compiling ccsdt_y_tr1_12_5.F... Compiling ccsdt_y_tr1_12_5_1.F... Compiling OFFSET_ccsdt_y_tr1_12_5_1.F... Compiling ccsdt_y_tr1_12_6.F... Compiling ccsdt_y_tr1_12_6_1.F... Compiling OFFSET_ccsdt_y_tr1_12_6_1.F... Compiling ccsdt_y_tr1_13.F... Compiling ccsdt_y_tr1_13_1.F... Compiling OFFSET_ccsdt_y_tr1_13_1.F... Compiling ccsdt_y_tr1_14.F... Compiling ccsdt_y_tr1_14_1.F... Compiling OFFSET_ccsdt_y_tr1_14_1.F... Compiling ccsdt_y_tr1_14_1_1.F... Compiling OFFSET_ccsdt_y_tr1_14_1_1.F... Compiling ccsdt_y_tr1_14_1_2.F... Compiling ccsdt_y_tr1_14_1_3.F... Compiling ccsdt_y_tr1_14_1_4.F... 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Compiling OFFSET_ccsdt_y_tr3_12_2_1.F... Compiling ccsdt_y_tr3_12_3.F... Compiling ccsdt_y_tr3_12_3_1.F... Compiling OFFSET_ccsdt_y_tr3_12_3_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_lambda_o1.o ccsdt_lambda_o1_1.o ccsdt_lambda_o1_1_1.o OFFSET_ccsdt_lambda_o1_1_1.o ccsdt_lambda_o1_1_2.o ccsdt_lambda_o1_2.o ccsdt_lambda_o1_3.o ccsdt_lambda_o1_4.o ccsdt_lambda_o1_4_1.o OFFSET_ccsdt_lambda_o1_4_1.o ccsdt_lambda_o1_4_2.o ccsdt_lambda_o1_4_3.o ccsdt_lambda_o1_5.o ccsdt_lambda_o1_5_1.o OFFSET_ccsdt_lambda_o1_5_1.o ccsdt_lambda_o1_6.o ccsdt_lambda_o1_6_1.o OFFSET_ccsdt_lambda_o1_6_1.o ccsdt_lambda_o2.o ccsdt_lambda_o2_1.o ccsdt_lambda_o2_2.o ccsdt_lambda_o2_2_1.o OFFSET_ccsdt_lambda_o2_2_1.o ccsdt_lambda_o2_2_2.o ccsdt_lambda_o2_3.o ccsdt_lambda_o2_4.o ccsdt_lambda_o2_4_1.o OFFSET_ccsdt_lambda_o2_4_1.o ccsdt_lambda_o2_4_2.o ccsdt_lambda_o2_5.o ccsdt_lambda_o2_5_1.o OFFSET_ccsdt_lambda_o2_5_1.o ccsdt_lambda_o3.o ccsdt_lambda_o3_1.o ccsdt_lambda_o3_2.o ccsdt_lambda_o3_3.o ccsdt_lambda_o3_4.o ccsdt_lambda_o3_4_1.o OFFSET_ccsdt_lambda_o3_4_1.o ccsdt_lambda_o3_5.o ccsdt_lambda_o3_5_1.o OFFSET_ccsdt_lambda_o3_5_1.o ccsdt_y_tr1.o ccsdt_y_tr1_1.o ccsdt_y_tr1_1_1.o OFFSET_ccsdt_y_tr1_1_1.o ccsdt_y_tr1_1_1_1.o OFFSET_ccsdt_y_tr1_1_1_1.o ccsdt_y_tr1_1_1_2.o ccsdt_y_tr1_1_2.o ccsdt_y_tr1_1_3.o ccsdt_y_tr1_1_4.o ccsdt_y_tr1_1_4_1.o OFFSET_ccsdt_y_tr1_1_4_1.o ccsdt_y_tr1_2.o ccsdt_y_tr1_2_1.o OFFSET_ccsdt_y_tr1_2_1.o ccsdt_y_tr1_2_2.o ccsdt_y_tr1_2_3.o ccsdt_y_tr1_3.o ccsdt_y_tr1_3_1.o OFFSET_ccsdt_y_tr1_3_1.o ccsdt_y_tr1_3_2.o ccsdt_y_tr1_3_3.o ccsdt_y_tr1_4.o ccsdt_y_tr1_4_1.o OFFSET_ccsdt_y_tr1_4_1.o ccsdt_y_tr1_4_2.o ccsdt_y_tr1_4_3.o ccsdt_y_tr1_5.o ccsdt_y_tr1_5_1.o OFFSET_ccsdt_y_tr1_5_1.o ccsdt_y_tr1_5_2.o ccsdt_y_tr1_5_2_1.o OFFSET_ccsdt_y_tr1_5_2_1.o ccsdt_y_tr1_5_3.o ccsdt_y_tr1_5_3_1.o OFFSET_ccsdt_y_tr1_5_3_1.o ccsdt_y_tr1_6.o ccsdt_y_tr1_6_1.o OFFSET_ccsdt_y_tr1_6_1.o ccsdt_y_tr1_6_1_1.o OFFSET_ccsdt_y_tr1_6_1_1.o ccsdt_y_tr1_6_1_2.o ccsdt_y_tr1_6_1_2_1.o OFFSET_ccsdt_y_tr1_6_1_2_1.o ccsdt_y_tr1_6_1_2_2.o ccsdt_y_tr1_6_1_3.o ccsdt_y_tr1_6_2.o ccsdt_y_tr1_6_2_1.o OFFSET_ccsdt_y_tr1_6_2_1.o ccsdt_y_tr1_6_2_2.o ccsdt_y_tr1_6_3.o ccsdt_y_tr1_6_3_1.o OFFSET_ccsdt_y_tr1_6_3_1.o ccsdt_y_tr1_6_3_2.o ccsdt_y_tr1_6_4.o ccsdt_y_tr1_6_4_1.o OFFSET_ccsdt_y_tr1_6_4_1.o ccsdt_y_tr1_6_4_2.o ccsdt_y_tr1_6_5.o ccsdt_y_tr1_6_6.o ccsdt_y_tr1_6_7.o ccsdt_y_tr1_6_7_1.o OFFSET_ccsdt_y_tr1_6_7_1.o ccsdt_y_tr1_6_7_1_1.o OFFSET_ccsdt_y_tr1_6_7_1_1.o ccsdt_y_tr1_6_7_1_2.o ccsdt_y_tr1_6_7_2.o ccsdt_y_tr1_6_7_3.o ccsdt_y_tr1_6_7_3_1.o OFFSET_ccsdt_y_tr1_6_7_3_1.o ccsdt_y_tr1_6_8.o ccsdt_y_tr1_6_8_1.o OFFSET_ccsdt_y_tr1_6_8_1.o ccsdt_y_tr1_6_9.o ccsdt_y_tr1_6_9_1.o OFFSET_ccsdt_y_tr1_6_9_1.o ccsdt_y_tr1_6_10.o ccsdt_y_tr1_6_10_1.o OFFSET_ccsdt_y_tr1_6_10_1.o ccsdt_y_tr1_7.o ccsdt_y_tr1_7_1.o OFFSET_ccsdt_y_tr1_7_1.o ccsdt_y_tr1_7_2.o ccsdt_y_tr1_8.o ccsdt_y_tr1_8_1.o OFFSET_ccsdt_y_tr1_8_1.o ccsdt_y_tr1_9.o ccsdt_y_tr1_9_1.o OFFSET_ccsdt_y_tr1_9_1.o ccsdt_y_tr1_9_2.o ccsdt_y_tr1_9_3.o ccsdt_y_tr1_9_3_1.o OFFSET_ccsdt_y_tr1_9_3_1.o ccsdt_y_tr1_9_3_2.o ccsdt_y_tr1_9_3_3.o ccsdt_y_tr1_9_4.o ccsdt_y_tr1_9_4_1.o OFFSET_ccsdt_y_tr1_9_4_1.o ccsdt_y_tr1_9_4_2.o ccsdt_y_tr1_9_4_3.o ccsdt_y_tr1_9_5.o ccsdt_y_tr1_9_5_1.o OFFSET_ccsdt_y_tr1_9_5_1.o ccsdt_y_tr1_9_5_2.o ccsdt_y_tr1_9_5_2_1.o OFFSET_ccsdt_y_tr1_9_5_2_1.o ccsdt_y_tr1_9_5_2_2.o ccsdt_y_tr1_9_6.o ccsdt_y_tr1_9_6_1.o OFFSET_ccsdt_y_tr1_9_6_1.o ccsdt_y_tr1_9_7.o ccsdt_y_tr1_9_7_1.o OFFSET_ccsdt_y_tr1_9_7_1.o ccsdt_y_tr1_9_7_2.o ccsdt_y_tr1_9_7_2_1.o OFFSET_ccsdt_y_tr1_9_7_2_1.o ccsdt_y_tr1_9_7_2_2.o ccsdt_y_tr1_9_8.o ccsdt_y_tr1_9_8_1.o OFFSET_ccsdt_y_tr1_9_8_1.o ccsdt_y_tr1_10.o ccsdt_y_tr1_10_1.o OFFSET_ccsdt_y_tr1_10_1.o ccsdt_y_tr1_10_2.o ccsdt_y_tr1_10_3.o ccsdt_y_tr1_10_3_1.o OFFSET_ccsdt_y_tr1_10_3_1.o ccsdt_y_tr1_10_3_2.o ccsdt_y_tr1_10_3_3.o ccsdt_y_tr1_10_3_3_1.o OFFSET_ccsdt_y_tr1_10_3_3_1.o ccsdt_y_tr1_10_3_3_2.o ccsdt_y_tr1_10_3_4.o ccsdt_y_tr1_10_3_4_1.o OFFSET_ccsdt_y_tr1_10_3_4_1.o ccsdt_y_tr1_10_3_4_2.o ccsdt_y_tr1_10_4.o ccsdt_y_tr1_10_4_1.o OFFSET_ccsdt_y_tr1_10_4_1.o ccsdt_y_tr1_10_5.o ccsdt_y_tr1_10_5_1.o OFFSET_ccsdt_y_tr1_10_5_1.o ccsdt_y_tr1_10_5_2.o ccsdt_y_tr1_10_6.o ccsdt_y_tr1_10_6_1.o OFFSET_ccsdt_y_tr1_10_6_1.o ccsdt_y_tr1_10_7.o ccsdt_y_tr1_10_7_1.o OFFSET_ccsdt_y_tr1_10_7_1.o ccsdt_y_tr1_10_8.o ccsdt_y_tr1_10_8_1.o OFFSET_ccsdt_y_tr1_10_8_1.o ccsdt_y_tr1_10_8_1_1.o OFFSET_ccsdt_y_tr1_10_8_1_1.o ccsdt_y_tr1_10_8_1_2.o ccsdt_y_tr1_10_9.o ccsdt_y_tr1_10_9_1.o OFFSET_ccsdt_y_tr1_10_9_1.o ccsdt_y_tr1_10_9_2.o ccsdt_y_tr1_10_9_3.o ccsdt_y_tr1_10_9_3_1.o OFFSET_ccsdt_y_tr1_10_9_3_1.o ccsdt_y_tr1_10_9_3_2.o ccsdt_y_tr1_10_10.o ccsdt_y_tr1_10_10_1.o OFFSET_ccsdt_y_tr1_10_10_1.o ccsdt_y_tr1_10_11.o ccsdt_y_tr1_10_11_1.o OFFSET_ccsdt_y_tr1_10_11_1.o ccsdt_y_tr1_10_11_2.o ccsdt_y_tr1_10_12.o ccsdt_y_tr1_10_12_1.o OFFSET_ccsdt_y_tr1_10_12_1.o ccsdt_y_tr1_10_13.o ccsdt_y_tr1_10_13_1.o OFFSET_ccsdt_y_tr1_10_13_1.o ccsdt_y_tr1_10_14.o ccsdt_y_tr1_10_14_1.o OFFSET_ccsdt_y_tr1_10_14_1.o ccsdt_y_tr1_10_14_1_1.o OFFSET_ccsdt_y_tr1_10_14_1_1.o ccsdt_y_tr1_10_14_1_2.o ccsdt_y_tr1_10_15.o ccsdt_y_tr1_10_15_1.o OFFSET_ccsdt_y_tr1_10_15_1.o ccsdt_y_tr1_10_15_1_1.o OFFSET_ccsdt_y_tr1_10_15_1_1.o ccsdt_y_tr1_10_16.o ccsdt_y_tr1_10_16_1.o OFFSET_ccsdt_y_tr1_10_16_1.o ccsdt_y_tr1_10_16_1_1.o OFFSET_ccsdt_y_tr1_10_16_1_1.o ccsdt_y_tr1_10_16_2.o ccsdt_y_tr1_10_16_2_1.o OFFSET_ccsdt_y_tr1_10_16_2_1.o ccsdt_y_tr1_11.o ccsdt_y_tr1_11_1.o OFFSET_ccsdt_y_tr1_11_1.o ccsdt_y_tr1_11_2.o ccsdt_y_tr1_11_3.o ccsdt_y_tr1_11_3_1.o OFFSET_ccsdt_y_tr1_11_3_1.o ccsdt_y_tr1_11_4.o ccsdt_y_tr1_11_4_1.o OFFSET_ccsdt_y_tr1_11_4_1.o ccsdt_y_tr1_11_5.o ccsdt_y_tr1_11_5_1.o OFFSET_ccsdt_y_tr1_11_5_1.o ccsdt_y_tr1_11_6.o ccsdt_y_tr1_11_6_1.o OFFSET_ccsdt_y_tr1_11_6_1.o ccsdt_y_tr1_12.o ccsdt_y_tr1_12_1.o OFFSET_ccsdt_y_tr1_12_1.o ccsdt_y_tr1_12_2.o ccsdt_y_tr1_12_3.o ccsdt_y_tr1_12_3_1.o OFFSET_ccsdt_y_tr1_12_3_1.o ccsdt_y_tr1_12_3_2.o ccsdt_y_tr1_12_4.o ccsdt_y_tr1_12_4_1.o OFFSET_ccsdt_y_tr1_12_4_1.o ccsdt_y_tr1_12_4_2.o ccsdt_y_tr1_12_5.o ccsdt_y_tr1_12_5_1.o OFFSET_ccsdt_y_tr1_12_5_1.o ccsdt_y_tr1_12_6.o ccsdt_y_tr1_12_6_1.o OFFSET_ccsdt_y_tr1_12_6_1.o ccsdt_y_tr1_13.o ccsdt_y_tr1_13_1.o OFFSET_ccsdt_y_tr1_13_1.o ccsdt_y_tr1_14.o ccsdt_y_tr1_14_1.o OFFSET_ccsdt_y_tr1_14_1.o ccsdt_y_tr1_14_1_1.o OFFSET_ccsdt_y_tr1_14_1_1.o ccsdt_y_tr1_14_1_2.o ccsdt_y_tr1_14_1_3.o ccsdt_y_tr1_14_1_4.o ccsdt_y_tr1_14_1_4_1.o OFFSET_ccsdt_y_tr1_14_1_4_1.o ccsdt_y_tr1_14_1_4_2.o ccsdt_y_tr1_14_2.o ccsdt_y_tr1_14_2_1.o OFFSET_ccsdt_y_tr1_14_2_1.o ccsdt_y_tr1_14_2_2.o ccsdt_y_tr1_14_3.o ccsdt_y_tr1_14_3_1.o OFFSET_ccsdt_y_tr1_14_3_1.o ccsdt_y_tr1_14_3_2.o ccsdt_y_tr1_14_4.o ccsdt_y_tr1_14_5.o ccsdt_y_tr1_14_5_1.o OFFSET_ccsdt_y_tr1_14_5_1.o ccsdt_y_tr1_14_6.o ccsdt_y_tr1_14_6_1.o OFFSET_ccsdt_y_tr1_14_6_1.o ccsdt_y_tr1_14_6_2.o ccsdt_y_tr1_14_6_3.o ccsdt_y_tr1_14_6_3_1.o OFFSET_ccsdt_y_tr1_14_6_3_1.o ccsdt_y_tr1_14_6_3_2.o ccsdt_y_tr1_14_7.o ccsdt_y_tr1_14_7_1.o OFFSET_ccsdt_y_tr1_14_7_1.o ccsdt_y_tr1_14_8.o ccsdt_y_tr1_14_8_1.o OFFSET_ccsdt_y_tr1_14_8_1.o ccsdt_y_tr1_14_9.o ccsdt_y_tr1_14_9_1.o OFFSET_ccsdt_y_tr1_14_9_1.o ccsdt_y_tr1_14_10.o ccsdt_y_tr1_14_10_1.o OFFSET_ccsdt_y_tr1_14_10_1.o ccsdt_y_tr1_14_10_1_1.o OFFSET_ccsdt_y_tr1_14_10_1_1.o ccsdt_y_tr1_14_10_2.o ccsdt_y_tr1_14_10_2_1.o OFFSET_ccsdt_y_tr1_14_10_2_1.o ccsdt_y_tr1_14_11.o ccsdt_y_tr1_14_11_1.o OFFSET_ccsdt_y_tr1_14_11_1.o ccsdt_y_tr1_14_11_1_1.o OFFSET_ccsdt_y_tr1_14_11_1_1.o ccsdt_y_tr1_15.o ccsdt_y_tr1_15_1.o OFFSET_ccsdt_y_tr1_15_1.o ccsdt_y_tr1_16.o ccsdt_y_tr1_16_1.o OFFSET_ccsdt_y_tr1_16_1.o ccsdt_y_tr1_16_1_1.o OFFSET_ccsdt_y_tr1_16_1_1.o ccsdt_y_tr1_16_2.o ccsdt_y_tr1_16_2_1.o OFFSET_ccsdt_y_tr1_16_2_1.o ccsdt_y_tr1_17.o ccsdt_y_tr1_17_1.o OFFSET_ccsdt_y_tr1_17_1.o ccsdt_y_tr1_17_1_1.o OFFSET_ccsdt_y_tr1_17_1_1.o ccsdt_y_tr1_17_1_1_1.o OFFSET_ccsdt_y_tr1_17_1_1_1.o ccsdt_y_tr1_17_1_1_2.o ccsdt_y_tr1_17_2.o ccsdt_y_tr1_17_2_1.o OFFSET_ccsdt_y_tr1_17_2_1.o ccsdt_y_tr1_17_2_1_1.o OFFSET_ccsdt_y_tr1_17_2_1_1.o ccsdt_y_tr1_17_2_1_2.o ccsdt_y_tr1_17_3.o ccsdt_y_tr1_17_3_1.o OFFSET_ccsdt_y_tr1_17_3_1.o ccsdt_y_tr1_17_3_1_1.o OFFSET_ccsdt_y_tr1_17_3_1_1.o ccsdt_y_tr1_17_4.o ccsdt_y_tr1_17_4_1.o OFFSET_ccsdt_y_tr1_17_4_1.o ccsdt_y_tr1_17_4_1_1.o OFFSET_ccsdt_y_tr1_17_4_1_1.o ccsdt_y_tr1_17_4_2.o ccsdt_y_tr1_17_4_2_1.o OFFSET_ccsdt_y_tr1_17_4_2_1.o ccsdt_y_tr2.o ccsdt_y_tr2_1.o ccsdt_y_tr2_1_1.o OFFSET_ccsdt_y_tr2_1_1.o ccsdt_y_tr2_2.o ccsdt_y_tr2_2_1.o OFFSET_ccsdt_y_tr2_2_1.o ccsdt_y_tr2_2_2.o ccsdt_y_tr2_2_3.o ccsdt_y_tr2_3.o ccsdt_y_tr2_3_1.o OFFSET_ccsdt_y_tr2_3_1.o ccsdt_y_tr2_4.o ccsdt_y_tr2_4_1.o OFFSET_ccsdt_y_tr2_4_1.o ccsdt_y_tr2_4_1_1.o OFFSET_ccsdt_y_tr2_4_1_1.o ccsdt_y_tr2_4_1_2.o ccsdt_y_tr2_4_2.o ccsdt_y_tr2_4_3.o ccsdt_y_tr2_4_4.o ccsdt_y_tr2_4_4_1.o OFFSET_ccsdt_y_tr2_4_4_1.o ccsdt_y_tr2_5.o ccsdt_y_tr2_5_1.o OFFSET_ccsdt_y_tr2_5_1.o ccsdt_y_tr2_5_2.o ccsdt_y_tr2_6.o ccsdt_y_tr2_6_1.o OFFSET_ccsdt_y_tr2_6_1.o ccsdt_y_tr2_6_1_1.o OFFSET_ccsdt_y_tr2_6_1_1.o ccsdt_y_tr2_6_1_2.o ccsdt_y_tr2_6_2.o ccsdt_y_tr2_6_3.o ccsdt_y_tr2_6_3_1.o OFFSET_ccsdt_y_tr2_6_3_1.o ccsdt_y_tr2_7.o ccsdt_y_tr2_7_1.o OFFSET_ccsdt_y_tr2_7_1.o ccsdt_y_tr2_7_2.o ccsdt_y_tr2_8.o ccsdt_y_tr2_8_1.o OFFSET_ccsdt_y_tr2_8_1.o ccsdt_y_tr2_8_2.o ccsdt_y_tr2_9.o ccsdt_y_tr2_9_1.o OFFSET_ccsdt_y_tr2_9_1.o ccsdt_y_tr2_9_2.o ccsdt_y_tr2_10.o ccsdt_y_tr2_10_1.o OFFSET_ccsdt_y_tr2_10_1.o ccsdt_y_tr2_10_2.o ccsdt_y_tr2_10_3.o ccsdt_y_tr2_10_3_1.o OFFSET_ccsdt_y_tr2_10_3_1.o ccsdt_y_tr2_10_4.o ccsdt_y_tr2_10_4_1.o OFFSET_ccsdt_y_tr2_10_4_1.o ccsdt_y_tr2_11.o ccsdt_y_tr2_11_1.o OFFSET_ccsdt_y_tr2_11_1.o ccsdt_y_tr2_11_1_1.o OFFSET_ccsdt_y_tr2_11_1_1.o ccsdt_y_tr2_11_1_2.o ccsdt_y_tr2_11_1_2_1.o OFFSET_ccsdt_y_tr2_11_1_2_1.o ccsdt_y_tr2_11_1_2_2.o ccsdt_y_tr2_11_1_3.o ccsdt_y_tr2_11_2.o ccsdt_y_tr2_11_2_1.o OFFSET_ccsdt_y_tr2_11_2_1.o ccsdt_y_tr2_11_2_2.o ccsdt_y_tr2_11_3.o ccsdt_y_tr2_11_3_1.o OFFSET_ccsdt_y_tr2_11_3_1.o ccsdt_y_tr2_11_3_2.o ccsdt_y_tr2_11_4.o ccsdt_y_tr2_11_4_1.o OFFSET_ccsdt_y_tr2_11_4_1.o ccsdt_y_tr2_11_4_2.o ccsdt_y_tr2_11_5.o ccsdt_y_tr2_11_6.o ccsdt_y_tr2_11_7.o ccsdt_y_tr2_11_7_1.o OFFSET_ccsdt_y_tr2_11_7_1.o ccsdt_y_tr2_11_7_1_1.o OFFSET_ccsdt_y_tr2_11_7_1_1.o ccsdt_y_tr2_11_7_1_2.o ccsdt_y_tr2_11_7_2.o ccsdt_y_tr2_11_7_3.o ccsdt_y_tr2_11_7_3_1.o OFFSET_ccsdt_y_tr2_11_7_3_1.o ccsdt_y_tr2_11_8.o ccsdt_y_tr2_11_8_1.o OFFSET_ccsdt_y_tr2_11_8_1.o ccsdt_y_tr2_11_9.o ccsdt_y_tr2_11_9_1.o OFFSET_ccsdt_y_tr2_11_9_1.o ccsdt_y_tr2_11_10.o ccsdt_y_tr2_11_10_1.o OFFSET_ccsdt_y_tr2_11_10_1.o ccsdt_y_tr2_12.o ccsdt_y_tr2_12_1.o OFFSET_ccsdt_y_tr2_12_1.o ccsdt_y_tr2_13.o ccsdt_y_tr2_13_1.o OFFSET_ccsdt_y_tr2_13_1.o ccsdt_y_tr2_14.o ccsdt_y_tr2_14_1.o OFFSET_ccsdt_y_tr2_14_1.o ccsdt_y_tr2_14_2.o ccsdt_y_tr2_14_2_1.o OFFSET_ccsdt_y_tr2_14_2_1.o ccsdt_y_tr2_14_2_2.o ccsdt_y_tr2_14_3.o ccsdt_y_tr2_14_4.o ccsdt_y_tr2_14_5.o ccsdt_y_tr2_14_5_1.o OFFSET_ccsdt_y_tr2_14_5_1.o ccsdt_y_tr2_14_6.o ccsdt_y_tr2_14_6_1.o OFFSET_ccsdt_y_tr2_14_6_1.o ccsdt_y_tr2_14_7.o ccsdt_y_tr2_14_7_1.o OFFSET_ccsdt_y_tr2_14_7_1.o ccsdt_y_tr2_14_8.o ccsdt_y_tr2_14_8_1.o OFFSET_ccsdt_y_tr2_14_8_1.o ccsdt_y_tr2_14_9.o ccsdt_y_tr2_14_9_1.o OFFSET_ccsdt_y_tr2_14_9_1.o ccsdt_y_tr2_15.o ccsdt_y_tr2_15_1.o OFFSET_ccsdt_y_tr2_15_1.o ccsdt_y_tr2_15_2.o ccsdt_y_tr2_16.o ccsdt_y_tr2_16_1.o OFFSET_ccsdt_y_tr2_16_1.o ccsdt_y_tr2_16_2.o ccsdt_y_tr2_16_3.o ccsdt_y_tr2_16_3_1.o OFFSET_ccsdt_y_tr2_16_3_1.o ccsdt_y_tr2_16_4.o ccsdt_y_tr2_16_4_1.o OFFSET_ccsdt_y_tr2_16_4_1.o ccsdt_y_tr2_16_5.o ccsdt_y_tr2_16_5_1.o OFFSET_ccsdt_y_tr2_16_5_1.o ccsdt_y_tr2_16_6.o ccsdt_y_tr2_16_6_1.o OFFSET_ccsdt_y_tr2_16_6_1.o ccsdt_y_tr2_17.o ccsdt_y_tr2_17_1.o OFFSET_ccsdt_y_tr2_17_1.o ccsdt_y_tr2_18.o ccsdt_y_tr2_18_1.o OFFSET_ccsdt_y_tr2_18_1.o ccsdt_y_tr2_19.o ccsdt_y_tr2_19_1.o OFFSET_ccsdt_y_tr2_19_1.o ccsdt_y_tr2_20.o ccsdt_y_tr2_20_1.o OFFSET_ccsdt_y_tr2_20_1.o ccsdt_y_tr2_20_2.o ccsdt_y_tr2_20_2_1.o OFFSET_ccsdt_y_tr2_20_2_1.o ccsdt_y_tr2_20_2_2.o ccsdt_y_tr2_20_3.o ccsdt_y_tr2_20_3_1.o OFFSET_ccsdt_y_tr2_20_3_1.o ccsdt_y_tr2_20_3_2.o ccsdt_y_tr2_20_4.o ccsdt_y_tr2_20_4_1.o OFFSET_ccsdt_y_tr2_20_4_1.o ccsdt_y_tr2_20_5.o ccsdt_y_tr2_20_5_1.o OFFSET_ccsdt_y_tr2_20_5_1.o ccsdt_y_tr2_21.o ccsdt_y_tr2_21_1.o OFFSET_ccsdt_y_tr2_21_1.o ccsdt_y_tr2_21_1_1.o OFFSET_ccsdt_y_tr2_21_1_1.o ccsdt_y_tr2_21_2.o ccsdt_y_tr2_21_2_1.o OFFSET_ccsdt_y_tr2_21_2_1.o ccsdt_y_tr2_22.o ccsdt_y_tr2_22_1.o OFFSET_ccsdt_y_tr2_22_1.o ccsdt_y_tr2_22_1_1.o OFFSET_ccsdt_y_tr2_22_1_1.o ccsdt_y_tr2_22_2.o ccsdt_y_tr2_22_2_1.o OFFSET_ccsdt_y_tr2_22_2_1.o ccsdt_y_tr2_23.o ccsdt_y_tr2_23_1.o OFFSET_ccsdt_y_tr2_23_1.o ccsdt_y_tr2_23_1_1.o OFFSET_ccsdt_y_tr2_23_1_1.o ccsdt_y_tr2_23_2.o ccsdt_y_tr2_23_2_1.o OFFSET_ccsdt_y_tr2_23_2_1.o ccsdt_y_tr2_23_3.o ccsdt_y_tr2_23_3_1.o OFFSET_ccsdt_y_tr2_23_3_1.o ccsdt_y_tr2_23_3_1_1.o OFFSET_ccsdt_y_tr2_23_3_1_1.o ccsdt_y_tr2_23_4.o ccsdt_y_tr2_23_4_1.o OFFSET_ccsdt_y_tr2_23_4_1.o ccsdt_y_tr2_23_4_1_1.o OFFSET_ccsdt_y_tr2_23_4_1_1.o ccsdt_y_tr2_23_4_2.o ccsdt_y_tr2_23_4_2_1.o OFFSET_ccsdt_y_tr2_23_4_2_1.o ccsdt_y_tr3.o ccsdt_y_tr3_1.o ccsdt_y_tr3_1_1.o OFFSET_ccsdt_y_tr3_1_1.o ccsdt_y_tr3_2.o ccsdt_y_tr3_2_1.o OFFSET_ccsdt_y_tr3_2_1.o ccsdt_y_tr3_2_2.o ccsdt_y_tr3_3.o ccsdt_y_tr3_3_1.o OFFSET_ccsdt_y_tr3_3_1.o ccsdt_y_tr3_4.o ccsdt_y_tr3_4_1.o OFFSET_ccsdt_y_tr3_4_1.o ccsdt_y_tr3_4_1_1.o OFFSET_ccsdt_y_tr3_4_1_1.o ccsdt_y_tr3_4_1_2.o ccsdt_y_tr3_4_2.o ccsdt_y_tr3_4_3.o ccsdt_y_tr3_4_4.o ccsdt_y_tr3_4_4_1.o OFFSET_ccsdt_y_tr3_4_4_1.o ccsdt_y_tr3_5.o ccsdt_y_tr3_5_1.o OFFSET_ccsdt_y_tr3_5_1.o ccsdt_y_tr3_6.o ccsdt_y_tr3_6_1.o OFFSET_ccsdt_y_tr3_6_1.o ccsdt_y_tr3_6_1_1.o OFFSET_ccsdt_y_tr3_6_1_1.o ccsdt_y_tr3_6_1_2.o ccsdt_y_tr3_6_2.o ccsdt_y_tr3_6_3.o ccsdt_y_tr3_6_3_1.o OFFSET_ccsdt_y_tr3_6_3_1.o ccsdt_y_tr3_7.o ccsdt_y_tr3_7_1.o OFFSET_ccsdt_y_tr3_7_1.o ccsdt_y_tr3_8.o ccsdt_y_tr3_8_1.o OFFSET_ccsdt_y_tr3_8_1.o ccsdt_y_tr3_8_2.o ccsdt_y_tr3_8_3.o ccsdt_y_tr3_8_3_1.o OFFSET_ccsdt_y_tr3_8_3_1.o ccsdt_y_tr3_8_4.o ccsdt_y_tr3_8_4_1.o OFFSET_ccsdt_y_tr3_8_4_1.o ccsdt_y_tr3_9.o ccsdt_y_tr3_9_1.o OFFSET_ccsdt_y_tr3_9_1.o ccsdt_y_tr3_10.o ccsdt_y_tr3_10_1.o OFFSET_ccsdt_y_tr3_10_1.o ccsdt_y_tr3_10_2.o ccsdt_y_tr3_10_3.o ccsdt_y_tr3_10_3_1.o OFFSET_ccsdt_y_tr3_10_3_1.o ccsdt_y_tr3_10_4.o ccsdt_y_tr3_10_4_1.o OFFSET_ccsdt_y_tr3_10_4_1.o ccsdt_y_tr3_11.o ccsdt_y_tr3_11_1.o OFFSET_ccsdt_y_tr3_11_1.o ccsdt_y_tr3_12.o ccsdt_y_tr3_12_1.o OFFSET_ccsdt_y_tr3_12_1.o ccsdt_y_tr3_12_2.o ccsdt_y_tr3_12_2_1.o OFFSET_ccsdt_y_tr3_12_2_1.o ccsdt_y_tr3_12_3.o ccsdt_y_tr3_12_3_1.o OFFSET_ccsdt_y_tr3_12_3_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_yr' Making all in ccsdt_beta make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' Compiling ccsdt_lr_beta_1.F... Compiling ccsdt_lr_beta_1_1.F... Compiling ccsdt_lr_beta_1_1_1.F... Compiling OFFSET_ccsdt_lr_beta_1_1_1.F... Compiling ccsdt_lr_beta_1_1_2.F... Compiling ccsdt_lr_beta_1_1_3.F... Compiling ccsdt_lr_beta_1_2.F... Compiling ccsdt_lr_beta_1_2_1.F... Compiling OFFSET_ccsdt_lr_beta_1_2_1.F... Compiling ccsdt_lr_beta_1_3.F... Compiling ccsdt_lr_beta_1_3_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_1.F... Compiling ccsdt_lr_beta_1_3_2.F... Compiling ccsdt_lr_beta_1_3_3.F... Compiling ccsdt_lr_beta_1_3_3_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_3_1.F... Compiling ccsdt_lr_beta_1_3_3_2.F... Compiling ccsdt_lr_beta_1_3_3_3.F... Compiling ccsdt_lr_beta_1_3_4.F... Compiling ccsdt_lr_beta_1_3_4_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_4_1.F... Compiling ccsdt_lr_beta_1_3_4_2.F... Compiling ccsdt_lr_beta_1_3_4_3.F... Compiling ccsdt_lr_beta_1_3_5.F... Compiling ccsdt_lr_beta_1_3_5_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_5_1.F... Compiling ccsdt_lr_beta_1_3_5_2.F... Compiling ccsdt_lr_beta_1_3_6.F... Compiling ccsdt_lr_beta_1_3_6_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_6_1.F... Compiling ccsdt_lr_beta_1_3_7.F... Compiling ccsdt_lr_beta_1_3_7_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_7_1.F... Compiling ccsdt_lr_beta_1_3_7_2.F... Compiling ccsdt_lr_beta_1_3_8.F... Compiling ccsdt_lr_beta_1_3_8_1.F... Compiling OFFSET_ccsdt_lr_beta_1_3_8_1.F... Compiling ccsdt_lr_beta_1_4.F... Compiling ccsdt_lr_beta_1_4_1.F... Compiling OFFSET_ccsdt_lr_beta_1_4_1.F... Compiling ccsdt_lr_beta_1_4_2.F... Compiling ccsdt_lr_beta_2.F... Compiling ccsdt_lr_beta_2_1.F... Compiling ccsdt_lr_beta_2_1_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_1.F... Compiling ccsdt_lr_beta_2_1_1_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_1_1.F... Compiling ccsdt_lr_beta_2_1_1_2.F... Compiling ccsdt_lr_beta_2_1_1_3.F... Compiling ccsdt_lr_beta_2_1_2.F... Compiling ccsdt_lr_beta_2_1_2_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_2_1.F... Compiling ccsdt_lr_beta_2_1_2_2.F... Compiling ccsdt_lr_beta_2_1_2_3.F... Compiling ccsdt_lr_beta_2_1_3.F... Compiling ccsdt_lr_beta_2_1_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_3_1.F... Compiling ccsdt_lr_beta_2_1_3_2.F... Compiling ccsdt_lr_beta_2_1_4.F... Compiling ccsdt_lr_beta_2_1_4_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_4_1.F... Compiling ccsdt_lr_beta_2_1_5.F... Compiling ccsdt_lr_beta_2_1_5_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_5_1.F... Compiling ccsdt_lr_beta_2_1_5_2.F... Compiling ccsdt_lr_beta_2_1_6.F... Compiling ccsdt_lr_beta_2_1_6_1.F... Compiling OFFSET_ccsdt_lr_beta_2_1_6_1.F... Compiling ccsdt_lr_beta_2_2.F... Compiling ccsdt_lr_beta_2_2_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_1.F... Compiling ccsdt_lr_beta_2_2_1_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_1_1.F... Compiling ccsdt_lr_beta_2_2_1_2.F... Compiling ccsdt_lr_beta_2_2_1_3.F... Compiling ccsdt_lr_beta_2_2_1_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_1_3_1.F... Compiling ccsdt_lr_beta_2_2_1_4.F... Compiling ccsdt_lr_beta_2_2_1_4_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_1_4_1.F... Compiling ccsdt_lr_beta_2_2_2.F... Compiling ccsdt_lr_beta_2_2_2_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_2_1.F... Compiling ccsdt_lr_beta_2_2_3.F... Compiling ccsdt_lr_beta_2_2_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_3_1.F... Compiling ccsdt_lr_beta_2_2_4.F... Compiling ccsdt_lr_beta_2_2_4_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_4_1.F... Compiling ccsdt_lr_beta_2_2_4_2.F... Compiling ccsdt_lr_beta_2_2_4_3.F... Compiling ccsdt_lr_beta_2_2_4_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_4_3_1.F... Compiling ccsdt_lr_beta_2_2_4_4.F... Compiling ccsdt_lr_beta_2_2_4_4_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_4_4_1.F... Compiling ccsdt_lr_beta_2_2_5.F... Compiling ccsdt_lr_beta_2_2_5_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_5_1.F... Compiling ccsdt_lr_beta_2_2_6.F... Compiling ccsdt_lr_beta_2_2_6_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_6_1.F... Compiling ccsdt_lr_beta_2_2_7.F... Compiling ccsdt_lr_beta_2_2_7_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_7_1.F... Compiling ccsdt_lr_beta_2_2_8.F... Compiling ccsdt_lr_beta_2_2_8_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_8_1.F... Compiling ccsdt_lr_beta_2_2_9.F... Compiling ccsdt_lr_beta_2_2_9_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_9_1.F... Compiling ccsdt_lr_beta_2_2_9_1_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_9_1_1.F... Compiling ccsdt_lr_beta_2_2_9_2.F... Compiling ccsdt_lr_beta_2_2_9_2_1.F... Compiling OFFSET_ccsdt_lr_beta_2_2_9_2_1.F... Compiling ccsdt_lr_beta_2_3.F... Compiling ccsdt_lr_beta_2_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_3_1.F... Compiling ccsdt_lr_beta_2_3_1_1.F... Compiling OFFSET_ccsdt_lr_beta_2_3_1_1.F... Compiling ccsdt_lr_beta_2_3_2.F... Compiling ccsdt_lr_beta_2_3_2_1.F... Compiling OFFSET_ccsdt_lr_beta_2_3_2_1.F... Compiling ccsdt_lr_beta_2_3_3.F... Compiling ccsdt_lr_beta_2_3_3_1.F... Compiling OFFSET_ccsdt_lr_beta_2_3_3_1.F... Compiling ccsdt_lr_beta_2_3_4.F... 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Compiling OFFSET_ccsdt_lr_beta_4_5_3_4_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_lr_beta_1.o ccsdt_lr_beta_1_1.o ccsdt_lr_beta_1_1_1.o OFFSET_ccsdt_lr_beta_1_1_1.o ccsdt_lr_beta_1_1_2.o ccsdt_lr_beta_1_1_3.o ccsdt_lr_beta_1_2.o ccsdt_lr_beta_1_2_1.o OFFSET_ccsdt_lr_beta_1_2_1.o ccsdt_lr_beta_1_3.o ccsdt_lr_beta_1_3_1.o OFFSET_ccsdt_lr_beta_1_3_1.o ccsdt_lr_beta_1_3_2.o ccsdt_lr_beta_1_3_3.o ccsdt_lr_beta_1_3_3_1.o OFFSET_ccsdt_lr_beta_1_3_3_1.o ccsdt_lr_beta_1_3_3_2.o ccsdt_lr_beta_1_3_3_3.o ccsdt_lr_beta_1_3_4.o ccsdt_lr_beta_1_3_4_1.o OFFSET_ccsdt_lr_beta_1_3_4_1.o 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ccsdt_lr_beta_2_1_5.o ccsdt_lr_beta_2_1_5_1.o OFFSET_ccsdt_lr_beta_2_1_5_1.o ccsdt_lr_beta_2_1_5_2.o ccsdt_lr_beta_2_1_6.o ccsdt_lr_beta_2_1_6_1.o OFFSET_ccsdt_lr_beta_2_1_6_1.o ccsdt_lr_beta_2_2.o ccsdt_lr_beta_2_2_1.o OFFSET_ccsdt_lr_beta_2_2_1.o ccsdt_lr_beta_2_2_1_1.o OFFSET_ccsdt_lr_beta_2_2_1_1.o ccsdt_lr_beta_2_2_1_2.o ccsdt_lr_beta_2_2_1_3.o ccsdt_lr_beta_2_2_1_3_1.o OFFSET_ccsdt_lr_beta_2_2_1_3_1.o ccsdt_lr_beta_2_2_1_4.o ccsdt_lr_beta_2_2_1_4_1.o OFFSET_ccsdt_lr_beta_2_2_1_4_1.o ccsdt_lr_beta_2_2_2.o ccsdt_lr_beta_2_2_2_1.o OFFSET_ccsdt_lr_beta_2_2_2_1.o ccsdt_lr_beta_2_2_3.o ccsdt_lr_beta_2_2_3_1.o OFFSET_ccsdt_lr_beta_2_2_3_1.o ccsdt_lr_beta_2_2_4.o ccsdt_lr_beta_2_2_4_1.o OFFSET_ccsdt_lr_beta_2_2_4_1.o ccsdt_lr_beta_2_2_4_2.o ccsdt_lr_beta_2_2_4_3.o ccsdt_lr_beta_2_2_4_3_1.o OFFSET_ccsdt_lr_beta_2_2_4_3_1.o ccsdt_lr_beta_2_2_4_4.o ccsdt_lr_beta_2_2_4_4_1.o OFFSET_ccsdt_lr_beta_2_2_4_4_1.o ccsdt_lr_beta_2_2_5.o ccsdt_lr_beta_2_2_5_1.o OFFSET_ccsdt_lr_beta_2_2_5_1.o ccsdt_lr_beta_2_2_6.o ccsdt_lr_beta_2_2_6_1.o OFFSET_ccsdt_lr_beta_2_2_6_1.o ccsdt_lr_beta_2_2_7.o ccsdt_lr_beta_2_2_7_1.o OFFSET_ccsdt_lr_beta_2_2_7_1.o ccsdt_lr_beta_2_2_8.o ccsdt_lr_beta_2_2_8_1.o OFFSET_ccsdt_lr_beta_2_2_8_1.o ccsdt_lr_beta_2_2_9.o ccsdt_lr_beta_2_2_9_1.o OFFSET_ccsdt_lr_beta_2_2_9_1.o ccsdt_lr_beta_2_2_9_1_1.o OFFSET_ccsdt_lr_beta_2_2_9_1_1.o ccsdt_lr_beta_2_2_9_2.o ccsdt_lr_beta_2_2_9_2_1.o OFFSET_ccsdt_lr_beta_2_2_9_2_1.o ccsdt_lr_beta_2_3.o ccsdt_lr_beta_2_3_1.o OFFSET_ccsdt_lr_beta_2_3_1.o ccsdt_lr_beta_2_3_1_1.o OFFSET_ccsdt_lr_beta_2_3_1_1.o ccsdt_lr_beta_2_3_2.o ccsdt_lr_beta_2_3_2_1.o OFFSET_ccsdt_lr_beta_2_3_2_1.o ccsdt_lr_beta_2_3_3.o ccsdt_lr_beta_2_3_3_1.o OFFSET_ccsdt_lr_beta_2_3_3_1.o ccsdt_lr_beta_2_3_4.o ccsdt_lr_beta_2_3_4_1.o OFFSET_ccsdt_lr_beta_2_3_4_1.o ccsdt_lr_beta_2_4.o ccsdt_lr_beta_2_4_1.o OFFSET_ccsdt_lr_beta_2_4_1.o ccsdt_lr_beta_2_4_1_1.o OFFSET_ccsdt_lr_beta_2_4_1_1.o ccsdt_lr_beta_2_4_1_2.o ccsdt_lr_beta_2_4_2.o ccsdt_lr_beta_2_4_2_1.o OFFSET_ccsdt_lr_beta_2_4_2_1.o ccsdt_lr_beta_2_4_2_2.o ccsdt_lr_beta_2_4_3.o ccsdt_lr_beta_2_4_3_1.o OFFSET_ccsdt_lr_beta_2_4_3_1.o ccsdt_lr_beta_2_4_4.o ccsdt_lr_beta_2_4_4_1.o OFFSET_ccsdt_lr_beta_2_4_4_1.o ccsdt_lr_beta_2_5.o ccsdt_lr_beta_2_5_1.o OFFSET_ccsdt_lr_beta_2_5_1.o ccsdt_lr_beta_2_5_1_1.o OFFSET_ccsdt_lr_beta_2_5_1_1.o ccsdt_lr_beta_2_5_2.o ccsdt_lr_beta_2_5_2_1.o OFFSET_ccsdt_lr_beta_2_5_2_1.o ccsdt_lr_beta_2_5_2_2.o ccsdt_lr_beta_2_5_3.o ccsdt_lr_beta_2_5_3_1.o OFFSET_ccsdt_lr_beta_2_5_3_1.o ccsdt_lr_beta_2_5_3_2.o ccsdt_lr_beta_2_5_3_2_1.o OFFSET_ccsdt_lr_beta_2_5_3_2_1.o ccsdt_lr_beta_2_5_3_3.o ccsdt_lr_beta_2_5_3_3_1.o OFFSET_ccsdt_lr_beta_2_5_3_3_1.o ccsdt_lr_beta_2_5_3_4.o ccsdt_lr_beta_2_5_3_4_1.o OFFSET_ccsdt_lr_beta_2_5_3_4_1.o ccsdt_lr_beta_2_5_3_5.o ccsdt_lr_beta_2_5_3_5_1.o OFFSET_ccsdt_lr_beta_2_5_3_5_1.o ccsdt_lr_beta_2_5_3_6.o ccsdt_lr_beta_2_5_3_6_1.o OFFSET_ccsdt_lr_beta_2_5_3_6_1.o ccsdt_lr_beta_2_5_3_7.o ccsdt_lr_beta_2_5_3_7_1.o OFFSET_ccsdt_lr_beta_2_5_3_7_1.o ccsdt_lr_beta_2_5_4.o ccsdt_lr_beta_2_5_4_1.o OFFSET_ccsdt_lr_beta_2_5_4_1.o ccsdt_lr_beta_2_5_4_2.o ccsdt_lr_beta_2_5_5.o ccsdt_lr_beta_2_5_5_1.o OFFSET_ccsdt_lr_beta_2_5_5_1.o ccsdt_lr_beta_2_5_6.o ccsdt_lr_beta_2_5_6_1.o OFFSET_ccsdt_lr_beta_2_5_6_1.o ccsdt_lr_beta_2_5_7.o ccsdt_lr_beta_2_5_7_1.o OFFSET_ccsdt_lr_beta_2_5_7_1.o ccsdt_lr_beta_2_5_8.o ccsdt_lr_beta_2_5_8_1.o OFFSET_ccsdt_lr_beta_2_5_8_1.o ccsdt_lr_beta_2_5_9.o ccsdt_lr_beta_2_5_9_1.o OFFSET_ccsdt_lr_beta_2_5_9_1.o ccsdt_lr_beta_2_5_9_2.o ccsdt_lr_beta_2_5_10.o ccsdt_lr_beta_2_5_10_1.o OFFSET_ccsdt_lr_beta_2_5_10_1.o ccsdt_lr_beta_2_5_10_2.o ccsdt_lr_beta_2_5_10_2_1.o OFFSET_ccsdt_lr_beta_2_5_10_2_1.o ccsdt_lr_beta_2_5_10_3.o ccsdt_lr_beta_2_5_10_3_1.o OFFSET_ccsdt_lr_beta_2_5_10_3_1.o ccsdt_lr_beta_2_5_10_4.o ccsdt_lr_beta_2_5_10_4_1.o OFFSET_ccsdt_lr_beta_2_5_10_4_1.o ccsdt_lr_beta_2_5_10_5.o ccsdt_lr_beta_2_5_10_5_1.o OFFSET_ccsdt_lr_beta_2_5_10_5_1.o ccsdt_lr_beta_2_5_10_6.o ccsdt_lr_beta_2_5_10_6_1.o OFFSET_ccsdt_lr_beta_2_5_10_6_1.o ccsdt_lr_beta_2_5_10_7.o ccsdt_lr_beta_2_5_10_7_1.o OFFSET_ccsdt_lr_beta_2_5_10_7_1.o ccsdt_lr_beta_2_5_11.o ccsdt_lr_beta_2_5_11_1.o OFFSET_ccsdt_lr_beta_2_5_11_1.o ccsdt_lr_beta_2_5_11_2.o ccsdt_lr_beta_2_5_12.o ccsdt_lr_beta_2_5_12_1.o OFFSET_ccsdt_lr_beta_2_5_12_1.o ccsdt_lr_beta_2_5_13.o ccsdt_lr_beta_2_5_13_1.o OFFSET_ccsdt_lr_beta_2_5_13_1.o ccsdt_lr_beta_2_5_14.o ccsdt_lr_beta_2_5_14_1.o OFFSET_ccsdt_lr_beta_2_5_14_1.o ccsdt_lr_beta_2_5_15.o ccsdt_lr_beta_2_5_15_1.o OFFSET_ccsdt_lr_beta_2_5_15_1.o ccsdt_lr_beta_2_5_15_1_1.o OFFSET_ccsdt_lr_beta_2_5_15_1_1.o ccsdt_lr_beta_2_5_15_2.o ccsdt_lr_beta_2_5_15_2_1.o OFFSET_ccsdt_lr_beta_2_5_15_2_1.o ccsdt_lr_beta_2_5_15_3.o ccsdt_lr_beta_2_5_15_3_1.o OFFSET_ccsdt_lr_beta_2_5_15_3_1.o ccsdt_lr_beta_2_5_15_4.o ccsdt_lr_beta_2_5_15_4_1.o OFFSET_ccsdt_lr_beta_2_5_15_4_1.o ccsdt_lr_beta_2_5_15_5.o ccsdt_lr_beta_2_5_15_5_1.o OFFSET_ccsdt_lr_beta_2_5_15_5_1.o ccsdt_lr_beta_2_5_15_6.o ccsdt_lr_beta_2_5_15_6_1.o OFFSET_ccsdt_lr_beta_2_5_15_6_1.o ccsdt_lr_beta_2_5_16.o ccsdt_lr_beta_2_5_16_1.o OFFSET_ccsdt_lr_beta_2_5_16_1.o ccsdt_lr_beta_2_5_16_1_1.o OFFSET_ccsdt_lr_beta_2_5_16_1_1.o ccsdt_lr_beta_2_5_16_2.o ccsdt_lr_beta_2_5_16_2_1.o OFFSET_ccsdt_lr_beta_2_5_16_2_1.o ccsdt_lr_beta_2_5_17.o ccsdt_lr_beta_2_5_17_1.o OFFSET_ccsdt_lr_beta_2_5_17_1.o ccsdt_lr_beta_2_5_17_1_1.o OFFSET_ccsdt_lr_beta_2_5_17_1_1.o ccsdt_lr_beta_2_5_17_2.o ccsdt_lr_beta_2_5_17_2_1.o OFFSET_ccsdt_lr_beta_2_5_17_2_1.o ccsdt_lr_beta_2_5_18.o ccsdt_lr_beta_2_5_18_1.o OFFSET_ccsdt_lr_beta_2_5_18_1.o ccsdt_lr_beta_2_5_18_1_1.o OFFSET_ccsdt_lr_beta_2_5_18_1_1.o ccsdt_lr_beta_2_5_18_2.o ccsdt_lr_beta_2_5_18_2_1.o OFFSET_ccsdt_lr_beta_2_5_18_2_1.o ccsdt_lr_beta_2_6.o ccsdt_lr_beta_2_6_1.o OFFSET_ccsdt_lr_beta_2_6_1.o ccsdt_lr_beta_2_6_1_1.o OFFSET_ccsdt_lr_beta_2_6_1_1.o ccsdt_lr_beta_2_6_1_2.o ccsdt_lr_beta_2_6_1_3.o ccsdt_lr_beta_2_6_1_3_1.o OFFSET_ccsdt_lr_beta_2_6_1_3_1.o ccsdt_lr_beta_2_6_1_3_2.o ccsdt_lr_beta_2_6_1_4.o ccsdt_lr_beta_2_6_1_4_1.o OFFSET_ccsdt_lr_beta_2_6_1_4_1.o ccsdt_lr_beta_2_6_1_4_2.o ccsdt_lr_beta_2_6_2.o ccsdt_lr_beta_2_6_2_1.o OFFSET_ccsdt_lr_beta_2_6_2_1.o ccsdt_lr_beta_2_6_3.o ccsdt_lr_beta_2_6_3_1.o OFFSET_ccsdt_lr_beta_2_6_3_1.o ccsdt_lr_beta_2_6_3_2.o ccsdt_lr_beta_2_6_4.o ccsdt_lr_beta_2_6_4_1.o OFFSET_ccsdt_lr_beta_2_6_4_1.o ccsdt_lr_beta_2_6_4_1_1.o OFFSET_ccsdt_lr_beta_2_6_4_1_1.o ccsdt_lr_beta_2_6_4_1_2.o ccsdt_lr_beta_2_6_5.o ccsdt_lr_beta_2_6_5_1.o OFFSET_ccsdt_lr_beta_2_6_5_1.o ccsdt_lr_beta_2_6_6.o ccsdt_lr_beta_2_6_6_1.o OFFSET_ccsdt_lr_beta_2_6_6_1.o ccsdt_lr_beta_2_6_7.o ccsdt_lr_beta_2_6_7_1.o OFFSET_ccsdt_lr_beta_2_6_7_1.o ccsdt_lr_beta_2_6_7_2.o ccsdt_lr_beta_2_6_7_3.o ccsdt_lr_beta_2_6_7_3_1.o OFFSET_ccsdt_lr_beta_2_6_7_3_1.o ccsdt_lr_beta_2_6_7_3_2.o ccsdt_lr_beta_2_6_7_4.o ccsdt_lr_beta_2_6_7_4_1.o OFFSET_ccsdt_lr_beta_2_6_7_4_1.o ccsdt_lr_beta_2_6_7_4_2.o ccsdt_lr_beta_2_6_8.o ccsdt_lr_beta_2_6_8_1.o OFFSET_ccsdt_lr_beta_2_6_8_1.o ccsdt_lr_beta_2_6_9.o ccsdt_lr_beta_2_6_9_1.o OFFSET_ccsdt_lr_beta_2_6_9_1.o ccsdt_lr_beta_2_6_9_2.o ccsdt_lr_beta_2_6_10.o ccsdt_lr_beta_2_6_10_1.o OFFSET_ccsdt_lr_beta_2_6_10_1.o ccsdt_lr_beta_2_6_11.o ccsdt_lr_beta_2_6_11_1.o OFFSET_ccsdt_lr_beta_2_6_11_1.o ccsdt_lr_beta_2_6_12.o ccsdt_lr_beta_2_6_12_1.o OFFSET_ccsdt_lr_beta_2_6_12_1.o ccsdt_lr_beta_2_6_12_1_1.o OFFSET_ccsdt_lr_beta_2_6_12_1_1.o ccsdt_lr_beta_2_6_12_2.o ccsdt_lr_beta_2_6_12_2_1.o OFFSET_ccsdt_lr_beta_2_6_12_2_1.o ccsdt_lr_beta_2_6_13.o ccsdt_lr_beta_2_6_13_1.o OFFSET_ccsdt_lr_beta_2_6_13_1.o ccsdt_lr_beta_2_6_13_1_1.o OFFSET_ccsdt_lr_beta_2_6_13_1_1.o ccsdt_lr_beta_2_6_13_1_2.o ccsdt_lr_beta_2_6_13_2.o ccsdt_lr_beta_2_6_13_2_1.o OFFSET_ccsdt_lr_beta_2_6_13_2_1.o ccsdt_lr_beta_2_6_13_2_2.o ccsdt_lr_beta_2_6_14.o ccsdt_lr_beta_2_6_14_1.o OFFSET_ccsdt_lr_beta_2_6_14_1.o ccsdt_lr_beta_2_6_14_1_1.o OFFSET_ccsdt_lr_beta_2_6_14_1_1.o ccsdt_lr_beta_2_6_14_2.o ccsdt_lr_beta_2_6_14_2_1.o OFFSET_ccsdt_lr_beta_2_6_14_2_1.o ccsdt_lr_beta_2_6_15.o ccsdt_lr_beta_2_6_15_1.o OFFSET_ccsdt_lr_beta_2_6_15_1.o ccsdt_lr_beta_2_6_15_1_1.o OFFSET_ccsdt_lr_beta_2_6_15_1_1.o ccsdt_lr_beta_2_6_15_2.o ccsdt_lr_beta_2_6_15_2_1.o OFFSET_ccsdt_lr_beta_2_6_15_2_1.o ccsdt_lr_beta_2_7.o ccsdt_lr_beta_2_7_1.o OFFSET_ccsdt_lr_beta_2_7_1.o ccsdt_lr_beta_2_7_1_1.o OFFSET_ccsdt_lr_beta_2_7_1_1.o ccsdt_lr_beta_2_7_2.o ccsdt_lr_beta_2_7_2_1.o OFFSET_ccsdt_lr_beta_2_7_2_1.o ccsdt_lr_beta_2_8.o ccsdt_lr_beta_2_8_1.o OFFSET_ccsdt_lr_beta_2_8_1.o ccsdt_lr_beta_2_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_1_1.o ccsdt_lr_beta_2_8_1_2.o ccsdt_lr_beta_2_8_2.o ccsdt_lr_beta_2_8_2_1.o OFFSET_ccsdt_lr_beta_2_8_2_1.o ccsdt_lr_beta_2_8_2_2.o ccsdt_lr_beta_2_8_2_3.o ccsdt_lr_beta_2_8_2_3_1.o OFFSET_ccsdt_lr_beta_2_8_2_3_1.o ccsdt_lr_beta_2_8_2_4.o ccsdt_lr_beta_2_8_2_4_1.o OFFSET_ccsdt_lr_beta_2_8_2_4_1.o ccsdt_lr_beta_2_8_3.o ccsdt_lr_beta_2_8_3_1.o OFFSET_ccsdt_lr_beta_2_8_3_1.o ccsdt_lr_beta_2_8_4.o ccsdt_lr_beta_2_8_4_1.o OFFSET_ccsdt_lr_beta_2_8_4_1.o ccsdt_lr_beta_2_8_4_2.o ccsdt_lr_beta_2_8_4_3.o ccsdt_lr_beta_2_8_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_4_3_1.o ccsdt_lr_beta_2_8_4_4.o ccsdt_lr_beta_2_8_4_4_1.o OFFSET_ccsdt_lr_beta_2_8_4_4_1.o ccsdt_lr_beta_2_8_5.o ccsdt_lr_beta_2_8_5_1.o OFFSET_ccsdt_lr_beta_2_8_5_1.o ccsdt_lr_beta_2_8_6.o ccsdt_lr_beta_2_8_6_1.o OFFSET_ccsdt_lr_beta_2_8_6_1.o ccsdt_lr_beta_2_8_7.o ccsdt_lr_beta_2_8_7_1.o OFFSET_ccsdt_lr_beta_2_8_7_1.o ccsdt_lr_beta_2_8_7_2.o ccsdt_lr_beta_2_8_7_2_1.o OFFSET_ccsdt_lr_beta_2_8_7_2_1.o ccsdt_lr_beta_2_8_7_3.o ccsdt_lr_beta_2_8_7_3_1.o OFFSET_ccsdt_lr_beta_2_8_7_3_1.o ccsdt_lr_beta_2_8_8.o ccsdt_lr_beta_2_8_8_1.o OFFSET_ccsdt_lr_beta_2_8_8_1.o ccsdt_lr_beta_2_8_9.o ccsdt_lr_beta_2_8_9_1.o OFFSET_ccsdt_lr_beta_2_8_9_1.o ccsdt_lr_beta_2_8_9_2.o ccsdt_lr_beta_2_8_10.o ccsdt_lr_beta_2_8_10_1.o OFFSET_ccsdt_lr_beta_2_8_10_1.o ccsdt_lr_beta_2_8_11.o ccsdt_lr_beta_2_8_11_1.o OFFSET_ccsdt_lr_beta_2_8_11_1.o ccsdt_lr_beta_2_8_12.o ccsdt_lr_beta_2_8_12_1.o OFFSET_ccsdt_lr_beta_2_8_12_1.o ccsdt_lr_beta_2_8_13.o ccsdt_lr_beta_2_8_13_1.o OFFSET_ccsdt_lr_beta_2_8_13_1.o ccsdt_lr_beta_2_8_13_2.o ccsdt_lr_beta_2_8_13_2_1.o OFFSET_ccsdt_lr_beta_2_8_13_2_1.o ccsdt_lr_beta_2_8_13_3.o ccsdt_lr_beta_2_8_13_3_1.o OFFSET_ccsdt_lr_beta_2_8_13_3_1.o ccsdt_lr_beta_2_8_14.o ccsdt_lr_beta_2_8_14_1.o OFFSET_ccsdt_lr_beta_2_8_14_1.o ccsdt_lr_beta_2_8_15.o ccsdt_lr_beta_2_8_15_1.o OFFSET_ccsdt_lr_beta_2_8_15_1.o ccsdt_lr_beta_2_8_15_1_1.o OFFSET_ccsdt_lr_beta_2_8_15_1_1.o ccsdt_lr_beta_2_8_15_1_2.o ccsdt_lr_beta_2_8_15_1_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_1_2_1.o ccsdt_lr_beta_2_8_15_1_2_2.o ccsdt_lr_beta_2_8_15_1_3.o ccsdt_lr_beta_2_8_15_1_3_1.o OFFSET_ccsdt_lr_beta_2_8_15_1_3_1.o ccsdt_lr_beta_2_8_15_1_3_2.o ccsdt_lr_beta_2_8_15_2.o ccsdt_lr_beta_2_8_15_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_2_1.o ccsdt_lr_beta_2_8_15_3.o ccsdt_lr_beta_2_8_15_3_1.o OFFSET_ccsdt_lr_beta_2_8_15_3_1.o ccsdt_lr_beta_2_8_15_4.o ccsdt_lr_beta_2_8_15_4_1.o OFFSET_ccsdt_lr_beta_2_8_15_4_1.o ccsdt_lr_beta_2_8_15_4_2.o ccsdt_lr_beta_2_8_15_4_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_4_2_1.o ccsdt_lr_beta_2_8_15_4_2_2.o ccsdt_lr_beta_2_8_15_4_3.o ccsdt_lr_beta_2_8_15_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_15_4_3_1.o ccsdt_lr_beta_2_8_15_4_3_2.o ccsdt_lr_beta_2_8_15_5.o ccsdt_lr_beta_2_8_15_5_1.o OFFSET_ccsdt_lr_beta_2_8_15_5_1.o ccsdt_lr_beta_2_8_15_6.o ccsdt_lr_beta_2_8_15_6_1.o OFFSET_ccsdt_lr_beta_2_8_15_6_1.o ccsdt_lr_beta_2_8_15_7.o ccsdt_lr_beta_2_8_15_7_1.o OFFSET_ccsdt_lr_beta_2_8_15_7_1.o ccsdt_lr_beta_2_8_15_7_1_1.o OFFSET_ccsdt_lr_beta_2_8_15_7_1_1.o ccsdt_lr_beta_2_8_15_8.o ccsdt_lr_beta_2_8_15_8_1.o OFFSET_ccsdt_lr_beta_2_8_15_8_1.o ccsdt_lr_beta_2_8_15_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_15_8_1_1.o ccsdt_lr_beta_2_8_15_8_2.o ccsdt_lr_beta_2_8_15_8_2_1.o OFFSET_ccsdt_lr_beta_2_8_15_8_2_1.o ccsdt_lr_beta_2_8_16.o ccsdt_lr_beta_2_8_16_1.o OFFSET_ccsdt_lr_beta_2_8_16_1.o ccsdt_lr_beta_2_8_16_1_1.o OFFSET_ccsdt_lr_beta_2_8_16_1_1.o ccsdt_lr_beta_2_8_16_2.o ccsdt_lr_beta_2_8_16_2_1.o OFFSET_ccsdt_lr_beta_2_8_16_2_1.o ccsdt_lr_beta_2_8_17.o ccsdt_lr_beta_2_8_17_1.o OFFSET_ccsdt_lr_beta_2_8_17_1.o ccsdt_lr_beta_2_8_17_1_1.o OFFSET_ccsdt_lr_beta_2_8_17_1_1.o ccsdt_lr_beta_2_8_17_2.o ccsdt_lr_beta_2_8_17_2_1.o OFFSET_ccsdt_lr_beta_2_8_17_2_1.o ccsdt_lr_beta_2_8_18.o ccsdt_lr_beta_2_8_18_1.o OFFSET_ccsdt_lr_beta_2_8_18_1.o ccsdt_lr_beta_2_8_18_1_1.o OFFSET_ccsdt_lr_beta_2_8_18_1_1.o ccsdt_lr_beta_2_8_18_2.o ccsdt_lr_beta_2_8_18_2_1.o OFFSET_ccsdt_lr_beta_2_8_18_2_1.o ccsdt_lr_beta_2_8_19.o ccsdt_lr_beta_2_8_19_1.o OFFSET_ccsdt_lr_beta_2_8_19_1.o ccsdt_lr_beta_2_8_19_1_1.o OFFSET_ccsdt_lr_beta_2_8_19_1_1.o ccsdt_lr_beta_2_8_19_2.o ccsdt_lr_beta_2_8_19_2_1.o OFFSET_ccsdt_lr_beta_2_8_19_2_1.o ccsdt_lr_beta_2_8_19_3.o ccsdt_lr_beta_2_8_19_3_1.o OFFSET_ccsdt_lr_beta_2_8_19_3_1.o ccsdt_lr_beta_2_8_19_4.o ccsdt_lr_beta_2_8_19_4_1.o OFFSET_ccsdt_lr_beta_2_8_19_4_1.o ccsdt_lr_beta_2_8_20.o ccsdt_lr_beta_2_8_20_1.o OFFSET_ccsdt_lr_beta_2_8_20_1.o ccsdt_lr_beta_2_8_20_1_1.o OFFSET_ccsdt_lr_beta_2_8_20_1_1.o ccsdt_lr_beta_2_8_20_2.o ccsdt_lr_beta_2_8_20_2_1.o OFFSET_ccsdt_lr_beta_2_8_20_2_1.o ccsdt_lr_beta_2_8_21.o ccsdt_lr_beta_2_8_21_1.o OFFSET_ccsdt_lr_beta_2_8_21_1.o ccsdt_lr_beta_2_8_21_1_1.o OFFSET_ccsdt_lr_beta_2_8_21_1_1.o ccsdt_lr_beta_2_8_21_2.o ccsdt_lr_beta_2_8_21_2_1.o OFFSET_ccsdt_lr_beta_2_8_21_2_1.o ccsdt_lr_beta_2_8_22.o ccsdt_lr_beta_2_8_22_1.o OFFSET_ccsdt_lr_beta_2_8_22_1.o ccsdt_lr_beta_2_8_22_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_1_1.o ccsdt_lr_beta_2_8_22_1_2.o ccsdt_lr_beta_2_8_22_1_3.o ccsdt_lr_beta_2_8_22_1_3_1.o OFFSET_ccsdt_lr_beta_2_8_22_1_3_1.o ccsdt_lr_beta_2_8_22_1_3_2.o ccsdt_lr_beta_2_8_22_1_4.o ccsdt_lr_beta_2_8_22_1_4_1.o OFFSET_ccsdt_lr_beta_2_8_22_1_4_1.o ccsdt_lr_beta_2_8_22_1_4_2.o ccsdt_lr_beta_2_8_22_2.o ccsdt_lr_beta_2_8_22_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_2_1.o ccsdt_lr_beta_2_8_22_3.o ccsdt_lr_beta_2_8_22_3_1.o OFFSET_ccsdt_lr_beta_2_8_22_3_1.o ccsdt_lr_beta_2_8_22_4.o ccsdt_lr_beta_2_8_22_4_1.o OFFSET_ccsdt_lr_beta_2_8_22_4_1.o ccsdt_lr_beta_2_8_22_4_2.o ccsdt_lr_beta_2_8_22_4_3.o ccsdt_lr_beta_2_8_22_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_22_4_3_1.o ccsdt_lr_beta_2_8_22_4_3_2.o ccsdt_lr_beta_2_8_22_4_4.o ccsdt_lr_beta_2_8_22_4_4_1.o OFFSET_ccsdt_lr_beta_2_8_22_4_4_1.o ccsdt_lr_beta_2_8_22_4_4_2.o ccsdt_lr_beta_2_8_22_5.o ccsdt_lr_beta_2_8_22_5_1.o OFFSET_ccsdt_lr_beta_2_8_22_5_1.o ccsdt_lr_beta_2_8_22_6.o ccsdt_lr_beta_2_8_22_6_1.o OFFSET_ccsdt_lr_beta_2_8_22_6_1.o ccsdt_lr_beta_2_8_22_7.o ccsdt_lr_beta_2_8_22_7_1.o OFFSET_ccsdt_lr_beta_2_8_22_7_1.o ccsdt_lr_beta_2_8_22_7_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_7_1_1.o ccsdt_lr_beta_2_8_22_7_2.o ccsdt_lr_beta_2_8_22_7_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_7_2_1.o ccsdt_lr_beta_2_8_22_8.o ccsdt_lr_beta_2_8_22_8_1.o OFFSET_ccsdt_lr_beta_2_8_22_8_1.o ccsdt_lr_beta_2_8_22_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_8_1_1.o ccsdt_lr_beta_2_8_22_8_1_2.o ccsdt_lr_beta_2_8_22_8_2.o ccsdt_lr_beta_2_8_22_8_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_8_2_1.o ccsdt_lr_beta_2_8_22_8_2_2.o ccsdt_lr_beta_2_8_22_9.o ccsdt_lr_beta_2_8_22_9_1.o OFFSET_ccsdt_lr_beta_2_8_22_9_1.o ccsdt_lr_beta_2_8_22_9_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_9_1_1.o ccsdt_lr_beta_2_8_22_9_2.o ccsdt_lr_beta_2_8_22_9_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_9_2_1.o ccsdt_lr_beta_2_8_22_10.o ccsdt_lr_beta_2_8_22_10_1.o OFFSET_ccsdt_lr_beta_2_8_22_10_1.o ccsdt_lr_beta_2_8_22_10_1_1.o OFFSET_ccsdt_lr_beta_2_8_22_10_1_1.o ccsdt_lr_beta_2_8_22_10_2.o ccsdt_lr_beta_2_8_22_10_2_1.o OFFSET_ccsdt_lr_beta_2_8_22_10_2_1.o ccsdt_lr_beta_2_8_23.o ccsdt_lr_beta_2_8_23_1.o OFFSET_ccsdt_lr_beta_2_8_23_1.o ccsdt_lr_beta_2_8_23_1_1.o OFFSET_ccsdt_lr_beta_2_8_23_1_1.o ccsdt_lr_beta_2_8_23_2.o ccsdt_lr_beta_2_8_23_2_1.o OFFSET_ccsdt_lr_beta_2_8_23_2_1.o ccsdt_lr_beta_2_8_24.o ccsdt_lr_beta_2_8_24_1.o OFFSET_ccsdt_lr_beta_2_8_24_1.o ccsdt_lr_beta_2_8_24_1_1.o OFFSET_ccsdt_lr_beta_2_8_24_1_1.o ccsdt_lr_beta_2_8_24_2.o ccsdt_lr_beta_2_8_24_2_1.o OFFSET_ccsdt_lr_beta_2_8_24_2_1.o ccsdt_lr_beta_2_8_25.o ccsdt_lr_beta_2_8_25_1.o OFFSET_ccsdt_lr_beta_2_8_25_1.o ccsdt_lr_beta_2_8_25_1_1.o OFFSET_ccsdt_lr_beta_2_8_25_1_1.o ccsdt_lr_beta_2_8_25_2.o ccsdt_lr_beta_2_8_25_2_1.o OFFSET_ccsdt_lr_beta_2_8_25_2_1.o ccsdt_lr_beta_2_8_25_3.o ccsdt_lr_beta_2_8_25_3_1.o OFFSET_ccsdt_lr_beta_2_8_25_3_1.o ccsdt_lr_beta_2_8_25_4.o ccsdt_lr_beta_2_8_25_4_1.o OFFSET_ccsdt_lr_beta_2_8_25_4_1.o ccsdt_lr_beta_2_8_26.o ccsdt_lr_beta_2_8_26_1.o OFFSET_ccsdt_lr_beta_2_8_26_1.o ccsdt_lr_beta_2_8_26_1_1.o OFFSET_ccsdt_lr_beta_2_8_26_1_1.o ccsdt_lr_beta_2_8_26_2.o ccsdt_lr_beta_2_8_26_2_1.o OFFSET_ccsdt_lr_beta_2_8_26_2_1.o ccsdt_lr_beta_2_8_27.o ccsdt_lr_beta_2_8_27_1.o OFFSET_ccsdt_lr_beta_2_8_27_1.o ccsdt_lr_beta_2_8_27_1_1.o OFFSET_ccsdt_lr_beta_2_8_27_1_1.o ccsdt_lr_beta_2_8_27_2.o ccsdt_lr_beta_2_8_27_2_1.o OFFSET_ccsdt_lr_beta_2_8_27_2_1.o ccsdt_lr_beta_2_8_28.o ccsdt_lr_beta_2_8_28_1.o OFFSET_ccsdt_lr_beta_2_8_28_1.o ccsdt_lr_beta_2_8_28_1_1.o OFFSET_ccsdt_lr_beta_2_8_28_1_1.o ccsdt_lr_beta_2_8_28_1_2.o ccsdt_lr_beta_2_8_28_1_3.o ccsdt_lr_beta_2_8_28_1_3_1.o OFFSET_ccsdt_lr_beta_2_8_28_1_3_1.o ccsdt_lr_beta_2_8_28_1_3_2.o ccsdt_lr_beta_2_8_28_1_4.o ccsdt_lr_beta_2_8_28_1_4_1.o OFFSET_ccsdt_lr_beta_2_8_28_1_4_1.o ccsdt_lr_beta_2_8_28_1_4_2.o ccsdt_lr_beta_2_8_28_2.o ccsdt_lr_beta_2_8_28_2_1.o OFFSET_ccsdt_lr_beta_2_8_28_2_1.o ccsdt_lr_beta_2_8_28_3.o ccsdt_lr_beta_2_8_28_3_1.o OFFSET_ccsdt_lr_beta_2_8_28_3_1.o ccsdt_lr_beta_2_8_28_4.o ccsdt_lr_beta_2_8_28_4_1.o OFFSET_ccsdt_lr_beta_2_8_28_4_1.o ccsdt_lr_beta_2_8_28_4_2.o ccsdt_lr_beta_2_8_28_4_3.o ccsdt_lr_beta_2_8_28_4_3_1.o OFFSET_ccsdt_lr_beta_2_8_28_4_3_1.o ccsdt_lr_beta_2_8_28_4_3_2.o ccsdt_lr_beta_2_8_28_5.o ccsdt_lr_beta_2_8_28_5_1.o OFFSET_ccsdt_lr_beta_2_8_28_5_1.o ccsdt_lr_beta_2_8_28_6.o ccsdt_lr_beta_2_8_28_6_1.o OFFSET_ccsdt_lr_beta_2_8_28_6_1.o ccsdt_lr_beta_2_8_28_7.o ccsdt_lr_beta_2_8_28_7_1.o OFFSET_ccsdt_lr_beta_2_8_28_7_1.o ccsdt_lr_beta_2_8_28_7_1_1.o OFFSET_ccsdt_lr_beta_2_8_28_7_1_1.o ccsdt_lr_beta_2_8_28_7_2.o ccsdt_lr_beta_2_8_28_7_2_1.o OFFSET_ccsdt_lr_beta_2_8_28_7_2_1.o ccsdt_lr_beta_2_8_28_8.o ccsdt_lr_beta_2_8_28_8_1.o OFFSET_ccsdt_lr_beta_2_8_28_8_1.o ccsdt_lr_beta_2_8_28_8_1_1.o OFFSET_ccsdt_lr_beta_2_8_28_8_1_1.o ccsdt_lr_beta_2_8_29.o ccsdt_lr_beta_2_8_29_1.o OFFSET_ccsdt_lr_beta_2_8_29_1.o ccsdt_lr_beta_2_8_29_1_1.o OFFSET_ccsdt_lr_beta_2_8_29_1_1.o ccsdt_lr_beta_2_8_29_2.o ccsdt_lr_beta_2_8_29_2_1.o OFFSET_ccsdt_lr_beta_2_8_29_2_1.o ccsdt_lr_beta_2_8_30.o ccsdt_lr_beta_2_8_30_1.o OFFSET_ccsdt_lr_beta_2_8_30_1.o ccsdt_lr_beta_2_8_30_1_1.o OFFSET_ccsdt_lr_beta_2_8_30_1_1.o ccsdt_lr_beta_2_8_30_2.o ccsdt_lr_beta_2_8_30_2_1.o OFFSET_ccsdt_lr_beta_2_8_30_2_1.o ccsdt_lr_beta_2_8_31.o ccsdt_lr_beta_2_8_31_1.o OFFSET_ccsdt_lr_beta_2_8_31_1.o ccsdt_lr_beta_2_8_31_1_1.o OFFSET_ccsdt_lr_beta_2_8_31_1_1.o ccsdt_lr_beta_2_8_31_2.o ccsdt_lr_beta_2_8_31_2_1.o OFFSET_ccsdt_lr_beta_2_8_31_2_1.o ccsdt_lr_beta_2_8_31_3.o ccsdt_lr_beta_2_8_31_3_1.o OFFSET_ccsdt_lr_beta_2_8_31_3_1.o ccsdt_lr_beta_2_8_31_4.o ccsdt_lr_beta_2_8_31_4_1.o OFFSET_ccsdt_lr_beta_2_8_31_4_1.o ccsdt_lr_beta_2_8_32.o ccsdt_lr_beta_2_8_32_1.o OFFSET_ccsdt_lr_beta_2_8_32_1.o ccsdt_lr_beta_2_8_32_1_1.o OFFSET_ccsdt_lr_beta_2_8_32_1_1.o ccsdt_lr_beta_2_8_32_2.o ccsdt_lr_beta_2_8_32_2_1.o OFFSET_ccsdt_lr_beta_2_8_32_2_1.o ccsdt_lr_beta_2_8_33.o ccsdt_lr_beta_2_8_33_1.o OFFSET_ccsdt_lr_beta_2_8_33_1.o ccsdt_lr_beta_2_8_33_1_1.o OFFSET_ccsdt_lr_beta_2_8_33_1_1.o ccsdt_lr_beta_2_8_33_2.o ccsdt_lr_beta_2_8_33_2_1.o OFFSET_ccsdt_lr_beta_2_8_33_2_1.o ccsdt_lr_beta_2_8_34.o ccsdt_lr_beta_2_8_34_1.o OFFSET_ccsdt_lr_beta_2_8_34_1.o ccsdt_lr_beta_2_8_34_1_1.o OFFSET_ccsdt_lr_beta_2_8_34_1_1.o ccsdt_lr_beta_2_8_34_2.o ccsdt_lr_beta_2_8_34_2_1.o OFFSET_ccsdt_lr_beta_2_8_34_2_1.o ccsdt_lr_beta_2_9.o ccsdt_lr_beta_2_9_1.o OFFSET_ccsdt_lr_beta_2_9_1.o ccsdt_lr_beta_2_9_1_1.o OFFSET_ccsdt_lr_beta_2_9_1_1.o ccsdt_lr_beta_2_9_2.o ccsdt_lr_beta_2_9_2_1.o OFFSET_ccsdt_lr_beta_2_9_2_1.o ccsdt_lr_beta_2_9_3.o ccsdt_lr_beta_2_9_3_1.o OFFSET_ccsdt_lr_beta_2_9_3_1.o ccsdt_lr_beta_2_9_4.o ccsdt_lr_beta_2_9_4_1.o OFFSET_ccsdt_lr_beta_2_9_4_1.o ccsdt_lr_beta_2_9_5.o ccsdt_lr_beta_2_9_5_1.o OFFSET_ccsdt_lr_beta_2_9_5_1.o ccsdt_lr_beta_2_9_6.o ccsdt_lr_beta_2_9_6_1.o OFFSET_ccsdt_lr_beta_2_9_6_1.o ccsdt_lr_beta_2_9_7.o ccsdt_lr_beta_2_9_7_1.o OFFSET_ccsdt_lr_beta_2_9_7_1.o ccsdt_lr_beta_2_9_8.o ccsdt_lr_beta_2_9_8_1.o OFFSET_ccsdt_lr_beta_2_9_8_1.o ccsdt_lr_beta_2_9_9.o ccsdt_lr_beta_2_9_9_1.o OFFSET_ccsdt_lr_beta_2_9_9_1.o ccsdt_lr_beta_2_9_10.o ccsdt_lr_beta_2_9_10_1.o OFFSET_ccsdt_lr_beta_2_9_10_1.o ccsdt_lr_beta_2_9_11.o ccsdt_lr_beta_2_9_11_1.o OFFSET_ccsdt_lr_beta_2_9_11_1.o ccsdt_lr_beta_2_9_11_1_1.o OFFSET_ccsdt_lr_beta_2_9_11_1_1.o ccsdt_lr_beta_2_9_11_2.o ccsdt_lr_beta_2_9_11_2_1.o OFFSET_ccsdt_lr_beta_2_9_11_2_1.o ccsdt_lr_beta_2_9_11_3.o ccsdt_lr_beta_2_9_11_3_1.o OFFSET_ccsdt_lr_beta_2_9_11_3_1.o ccsdt_lr_beta_2_9_11_4.o ccsdt_lr_beta_2_9_11_4_1.o OFFSET_ccsdt_lr_beta_2_9_11_4_1.o ccsdt_lr_beta_2_9_12.o ccsdt_lr_beta_2_9_12_1.o OFFSET_ccsdt_lr_beta_2_9_12_1.o ccsdt_lr_beta_2_9_12_1_1.o OFFSET_ccsdt_lr_beta_2_9_12_1_1.o ccsdt_lr_beta_2_9_12_2.o ccsdt_lr_beta_2_9_12_2_1.o OFFSET_ccsdt_lr_beta_2_9_12_2_1.o ccsdt_lr_beta_2_9_12_3.o ccsdt_lr_beta_2_9_12_3_1.o OFFSET_ccsdt_lr_beta_2_9_12_3_1.o ccsdt_lr_beta_2_9_12_4.o ccsdt_lr_beta_2_9_12_4_1.o OFFSET_ccsdt_lr_beta_2_9_12_4_1.o ccsdt_lr_beta_2_9_13.o ccsdt_lr_beta_2_9_13_1.o OFFSET_ccsdt_lr_beta_2_9_13_1.o ccsdt_lr_beta_2_9_13_1_1.o OFFSET_ccsdt_lr_beta_2_9_13_1_1.o ccsdt_lr_beta_2_9_13_2.o ccsdt_lr_beta_2_9_13_2_1.o OFFSET_ccsdt_lr_beta_2_9_13_2_1.o ccsdt_lr_beta_2_9_13_3.o ccsdt_lr_beta_2_9_13_3_1.o OFFSET_ccsdt_lr_beta_2_9_13_3_1.o ccsdt_lr_beta_2_9_13_4.o ccsdt_lr_beta_2_9_13_4_1.o OFFSET_ccsdt_lr_beta_2_9_13_4_1.o ccsdt_lr_beta_3.o ccsdt_lr_beta_3_1.o ccsdt_lr_beta_3_1_1.o OFFSET_ccsdt_lr_beta_3_1_1.o ccsdt_lr_beta_3_1_1_1.o OFFSET_ccsdt_lr_beta_3_1_1_1.o ccsdt_lr_beta_3_1_1_2.o ccsdt_lr_beta_3_1_1_3.o ccsdt_lr_beta_3_1_2.o ccsdt_lr_beta_3_1_2_1.o OFFSET_ccsdt_lr_beta_3_1_2_1.o ccsdt_lr_beta_3_1_2_2.o ccsdt_lr_beta_3_1_2_3.o ccsdt_lr_beta_3_1_3.o ccsdt_lr_beta_3_1_3_1.o OFFSET_ccsdt_lr_beta_3_1_3_1.o ccsdt_lr_beta_3_1_3_2.o ccsdt_lr_beta_3_1_4.o ccsdt_lr_beta_3_1_4_1.o OFFSET_ccsdt_lr_beta_3_1_4_1.o ccsdt_lr_beta_3_1_5.o ccsdt_lr_beta_3_1_5_1.o OFFSET_ccsdt_lr_beta_3_1_5_1.o ccsdt_lr_beta_3_1_5_2.o ccsdt_lr_beta_3_1_6.o ccsdt_lr_beta_3_1_6_1.o OFFSET_ccsdt_lr_beta_3_1_6_1.o ccsdt_lr_beta_4.o ccsdt_lr_beta_4_1.o ccsdt_lr_beta_4_1_1.o OFFSET_ccsdt_lr_beta_4_1_1.o ccsdt_lr_beta_4_1_1_1.o OFFSET_ccsdt_lr_beta_4_1_1_1.o ccsdt_lr_beta_4_1_1_1_1.o OFFSET_ccsdt_lr_beta_4_1_1_1_1.o ccsdt_lr_beta_4_1_1_2.o ccsdt_lr_beta_4_1_1_2_1.o OFFSET_ccsdt_lr_beta_4_1_1_2_1.o ccsdt_lr_beta_4_1_2.o ccsdt_lr_beta_4_1_2_1.o OFFSET_ccsdt_lr_beta_4_1_2_1.o ccsdt_lr_beta_4_1_2_1_1.o OFFSET_ccsdt_lr_beta_4_1_2_1_1.o ccsdt_lr_beta_4_1_2_2.o ccsdt_lr_beta_4_1_2_2_1.o OFFSET_ccsdt_lr_beta_4_1_2_2_1.o ccsdt_lr_beta_4_1_3.o ccsdt_lr_beta_4_1_3_1.o OFFSET_ccsdt_lr_beta_4_1_3_1.o ccsdt_lr_beta_4_1_3_1_1.o OFFSET_ccsdt_lr_beta_4_1_3_1_1.o ccsdt_lr_beta_4_1_3_2.o ccsdt_lr_beta_4_1_3_2_1.o OFFSET_ccsdt_lr_beta_4_1_3_2_1.o ccsdt_lr_beta_4_2.o ccsdt_lr_beta_4_2_1.o OFFSET_ccsdt_lr_beta_4_2_1.o ccsdt_lr_beta_4_2_1_1.o OFFSET_ccsdt_lr_beta_4_2_1_1.o ccsdt_lr_beta_4_2_1_1_1.o OFFSET_ccsdt_lr_beta_4_2_1_1_1.o ccsdt_lr_beta_4_2_1_1_2.o ccsdt_lr_beta_4_2_1_2.o ccsdt_lr_beta_4_2_1_2_1.o OFFSET_ccsdt_lr_beta_4_2_1_2_1.o ccsdt_lr_beta_4_2_1_2_2.o ccsdt_lr_beta_4_2_2.o ccsdt_lr_beta_4_2_2_1.o OFFSET_ccsdt_lr_beta_4_2_2_1.o ccsdt_lr_beta_4_2_2_1_1.o OFFSET_ccsdt_lr_beta_4_2_2_1_1.o ccsdt_lr_beta_4_2_2_2.o ccsdt_lr_beta_4_2_2_2_1.o OFFSET_ccsdt_lr_beta_4_2_2_2_1.o ccsdt_lr_beta_4_2_3.o ccsdt_lr_beta_4_2_3_1.o OFFSET_ccsdt_lr_beta_4_2_3_1.o ccsdt_lr_beta_4_2_3_1_1.o OFFSET_ccsdt_lr_beta_4_2_3_1_1.o ccsdt_lr_beta_4_2_3_1_2.o ccsdt_lr_beta_4_2_3_2.o ccsdt_lr_beta_4_2_3_2_1.o OFFSET_ccsdt_lr_beta_4_2_3_2_1.o ccsdt_lr_beta_4_2_3_2_2.o ccsdt_lr_beta_4_2_4.o ccsdt_lr_beta_4_2_4_1.o OFFSET_ccsdt_lr_beta_4_2_4_1.o ccsdt_lr_beta_4_2_4_1_1.o OFFSET_ccsdt_lr_beta_4_2_4_1_1.o ccsdt_lr_beta_4_2_4_2.o ccsdt_lr_beta_4_2_4_2_1.o OFFSET_ccsdt_lr_beta_4_2_4_2_1.o ccsdt_lr_beta_4_2_5.o ccsdt_lr_beta_4_2_5_1.o OFFSET_ccsdt_lr_beta_4_2_5_1.o ccsdt_lr_beta_4_2_5_1_1.o OFFSET_ccsdt_lr_beta_4_2_5_1_1.o ccsdt_lr_beta_4_2_5_1_2.o ccsdt_lr_beta_4_2_5_2.o ccsdt_lr_beta_4_2_5_2_1.o OFFSET_ccsdt_lr_beta_4_2_5_2_1.o ccsdt_lr_beta_4_2_5_2_2.o ccsdt_lr_beta_4_2_6.o ccsdt_lr_beta_4_2_6_1.o OFFSET_ccsdt_lr_beta_4_2_6_1.o ccsdt_lr_beta_4_2_6_1_1.o OFFSET_ccsdt_lr_beta_4_2_6_1_1.o ccsdt_lr_beta_4_2_6_2.o ccsdt_lr_beta_4_2_6_2_1.o OFFSET_ccsdt_lr_beta_4_2_6_2_1.o ccsdt_lr_beta_4_3.o ccsdt_lr_beta_4_3_1.o OFFSET_ccsdt_lr_beta_4_3_1.o ccsdt_lr_beta_4_3_1_1.o OFFSET_ccsdt_lr_beta_4_3_1_1.o ccsdt_lr_beta_4_3_1_1_1.o OFFSET_ccsdt_lr_beta_4_3_1_1_1.o ccsdt_lr_beta_4_3_1_2.o ccsdt_lr_beta_4_3_1_2_1.o OFFSET_ccsdt_lr_beta_4_3_1_2_1.o ccsdt_lr_beta_4_3_1_3.o ccsdt_lr_beta_4_3_1_3_1.o OFFSET_ccsdt_lr_beta_4_3_1_3_1.o ccsdt_lr_beta_4_3_1_4.o ccsdt_lr_beta_4_3_1_4_1.o OFFSET_ccsdt_lr_beta_4_3_1_4_1.o ccsdt_lr_beta_4_3_1_5.o ccsdt_lr_beta_4_3_1_5_1.o OFFSET_ccsdt_lr_beta_4_3_1_5_1.o ccsdt_lr_beta_4_3_1_6.o ccsdt_lr_beta_4_3_1_6_1.o OFFSET_ccsdt_lr_beta_4_3_1_6_1.o ccsdt_lr_beta_4_3_2.o ccsdt_lr_beta_4_3_2_1.o OFFSET_ccsdt_lr_beta_4_3_2_1.o ccsdt_lr_beta_4_3_2_1_1.o OFFSET_ccsdt_lr_beta_4_3_2_1_1.o ccsdt_lr_beta_4_3_2_2.o ccsdt_lr_beta_4_3_2_2_1.o OFFSET_ccsdt_lr_beta_4_3_2_2_1.o ccsdt_lr_beta_4_3_3.o ccsdt_lr_beta_4_3_3_1.o OFFSET_ccsdt_lr_beta_4_3_3_1.o ccsdt_lr_beta_4_3_3_1_1.o OFFSET_ccsdt_lr_beta_4_3_3_1_1.o ccsdt_lr_beta_4_3_3_2.o ccsdt_lr_beta_4_3_3_2_1.o OFFSET_ccsdt_lr_beta_4_3_3_2_1.o ccsdt_lr_beta_4_3_3_3.o ccsdt_lr_beta_4_3_3_3_1.o OFFSET_ccsdt_lr_beta_4_3_3_3_1.o ccsdt_lr_beta_4_3_3_4.o ccsdt_lr_beta_4_3_3_4_1.o OFFSET_ccsdt_lr_beta_4_3_3_4_1.o ccsdt_lr_beta_4_3_3_5.o ccsdt_lr_beta_4_3_3_5_1.o OFFSET_ccsdt_lr_beta_4_3_3_5_1.o ccsdt_lr_beta_4_3_3_6.o ccsdt_lr_beta_4_3_3_6_1.o OFFSET_ccsdt_lr_beta_4_3_3_6_1.o ccsdt_lr_beta_4_3_4.o ccsdt_lr_beta_4_3_4_1.o OFFSET_ccsdt_lr_beta_4_3_4_1.o ccsdt_lr_beta_4_3_4_1_1.o OFFSET_ccsdt_lr_beta_4_3_4_1_1.o ccsdt_lr_beta_4_3_4_2.o ccsdt_lr_beta_4_3_4_2_1.o OFFSET_ccsdt_lr_beta_4_3_4_2_1.o ccsdt_lr_beta_4_3_4_3.o ccsdt_lr_beta_4_3_4_3_1.o OFFSET_ccsdt_lr_beta_4_3_4_3_1.o ccsdt_lr_beta_4_3_4_4.o ccsdt_lr_beta_4_3_4_4_1.o OFFSET_ccsdt_lr_beta_4_3_4_4_1.o ccsdt_lr_beta_4_3_4_5.o ccsdt_lr_beta_4_3_4_5_1.o OFFSET_ccsdt_lr_beta_4_3_4_5_1.o ccsdt_lr_beta_4_3_4_6.o ccsdt_lr_beta_4_3_4_6_1.o OFFSET_ccsdt_lr_beta_4_3_4_6_1.o ccsdt_lr_beta_4_3_5.o ccsdt_lr_beta_4_3_5_1.o OFFSET_ccsdt_lr_beta_4_3_5_1.o ccsdt_lr_beta_4_3_5_1_1.o OFFSET_ccsdt_lr_beta_4_3_5_1_1.o ccsdt_lr_beta_4_3_5_2.o ccsdt_lr_beta_4_3_5_2_1.o OFFSET_ccsdt_lr_beta_4_3_5_2_1.o ccsdt_lr_beta_4_3_6.o ccsdt_lr_beta_4_3_6_1.o OFFSET_ccsdt_lr_beta_4_3_6_1.o ccsdt_lr_beta_4_3_6_1_1.o OFFSET_ccsdt_lr_beta_4_3_6_1_1.o ccsdt_lr_beta_4_3_6_2.o ccsdt_lr_beta_4_3_6_2_1.o OFFSET_ccsdt_lr_beta_4_3_6_2_1.o ccsdt_lr_beta_4_4.o ccsdt_lr_beta_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_1.o ccsdt_lr_beta_4_4_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_1.o ccsdt_lr_beta_4_4_1_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_1.o ccsdt_lr_beta_4_4_1_1_2.o ccsdt_lr_beta_4_4_1_1_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_2_1.o ccsdt_lr_beta_4_4_1_1_2_2.o ccsdt_lr_beta_4_4_1_1_3.o ccsdt_lr_beta_4_4_1_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_3_1.o ccsdt_lr_beta_4_4_1_1_3_2.o ccsdt_lr_beta_4_4_1_1_4.o ccsdt_lr_beta_4_4_1_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_1_1_4_1.o ccsdt_lr_beta_4_4_1_1_4_2.o ccsdt_lr_beta_4_4_1_2.o ccsdt_lr_beta_4_4_1_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_2_1.o ccsdt_lr_beta_4_4_1_3.o ccsdt_lr_beta_4_4_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_1_3_1.o ccsdt_lr_beta_4_4_1_4.o ccsdt_lr_beta_4_4_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_1_4_1.o ccsdt_lr_beta_4_4_1_4_2.o ccsdt_lr_beta_4_4_1_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_4_2_1.o ccsdt_lr_beta_4_4_1_4_2_2.o ccsdt_lr_beta_4_4_1_4_3.o ccsdt_lr_beta_4_4_1_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_1_4_3_1.o ccsdt_lr_beta_4_4_1_4_3_2.o ccsdt_lr_beta_4_4_1_5.o ccsdt_lr_beta_4_4_1_5_1.o OFFSET_ccsdt_lr_beta_4_4_1_5_1.o ccsdt_lr_beta_4_4_1_6.o ccsdt_lr_beta_4_4_1_6_1.o OFFSET_ccsdt_lr_beta_4_4_1_6_1.o ccsdt_lr_beta_4_4_1_7.o ccsdt_lr_beta_4_4_1_7_1.o OFFSET_ccsdt_lr_beta_4_4_1_7_1.o ccsdt_lr_beta_4_4_1_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_7_1_1.o ccsdt_lr_beta_4_4_1_7_2.o ccsdt_lr_beta_4_4_1_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_7_2_1.o ccsdt_lr_beta_4_4_1_8.o ccsdt_lr_beta_4_4_1_8_1.o OFFSET_ccsdt_lr_beta_4_4_1_8_1.o ccsdt_lr_beta_4_4_1_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_8_1_1.o ccsdt_lr_beta_4_4_1_8_2.o ccsdt_lr_beta_4_4_1_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_8_2_1.o ccsdt_lr_beta_4_4_1_9.o ccsdt_lr_beta_4_4_1_9_1.o OFFSET_ccsdt_lr_beta_4_4_1_9_1.o ccsdt_lr_beta_4_4_1_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_9_1_1.o ccsdt_lr_beta_4_4_1_9_1_2.o ccsdt_lr_beta_4_4_1_9_2.o ccsdt_lr_beta_4_4_1_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_9_2_1.o ccsdt_lr_beta_4_4_1_9_2_2.o ccsdt_lr_beta_4_4_1_10.o ccsdt_lr_beta_4_4_1_10_1.o OFFSET_ccsdt_lr_beta_4_4_1_10_1.o ccsdt_lr_beta_4_4_1_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_1_10_1_1.o ccsdt_lr_beta_4_4_1_10_2.o ccsdt_lr_beta_4_4_1_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_1_10_2_1.o ccsdt_lr_beta_4_4_2.o ccsdt_lr_beta_4_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_2_1.o ccsdt_lr_beta_4_4_2_1_1.o OFFSET_ccsdt_lr_beta_4_4_2_1_1.o ccsdt_lr_beta_4_4_2_2.o ccsdt_lr_beta_4_4_2_2_1.o OFFSET_ccsdt_lr_beta_4_4_2_2_1.o ccsdt_lr_beta_4_4_3.o ccsdt_lr_beta_4_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_3_1.o ccsdt_lr_beta_4_4_3_1_1.o OFFSET_ccsdt_lr_beta_4_4_3_1_1.o ccsdt_lr_beta_4_4_3_2.o ccsdt_lr_beta_4_4_3_2_1.o OFFSET_ccsdt_lr_beta_4_4_3_2_1.o ccsdt_lr_beta_4_4_4.o ccsdt_lr_beta_4_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_4_1.o ccsdt_lr_beta_4_4_4_1_1.o OFFSET_ccsdt_lr_beta_4_4_4_1_1.o ccsdt_lr_beta_4_4_4_2.o ccsdt_lr_beta_4_4_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_4_2_1.o ccsdt_lr_beta_4_4_5.o ccsdt_lr_beta_4_4_5_1.o OFFSET_ccsdt_lr_beta_4_4_5_1.o ccsdt_lr_beta_4_4_5_1_1.o OFFSET_ccsdt_lr_beta_4_4_5_1_1.o ccsdt_lr_beta_4_4_5_2.o ccsdt_lr_beta_4_4_5_2_1.o OFFSET_ccsdt_lr_beta_4_4_5_2_1.o ccsdt_lr_beta_4_4_5_3.o ccsdt_lr_beta_4_4_5_3_1.o OFFSET_ccsdt_lr_beta_4_4_5_3_1.o ccsdt_lr_beta_4_4_5_4.o ccsdt_lr_beta_4_4_5_4_1.o OFFSET_ccsdt_lr_beta_4_4_5_4_1.o ccsdt_lr_beta_4_4_6.o ccsdt_lr_beta_4_4_6_1.o OFFSET_ccsdt_lr_beta_4_4_6_1.o ccsdt_lr_beta_4_4_6_1_1.o OFFSET_ccsdt_lr_beta_4_4_6_1_1.o ccsdt_lr_beta_4_4_6_2.o ccsdt_lr_beta_4_4_6_2_1.o OFFSET_ccsdt_lr_beta_4_4_6_2_1.o ccsdt_lr_beta_4_4_7.o ccsdt_lr_beta_4_4_7_1.o OFFSET_ccsdt_lr_beta_4_4_7_1.o ccsdt_lr_beta_4_4_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_7_1_1.o ccsdt_lr_beta_4_4_7_2.o ccsdt_lr_beta_4_4_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_7_2_1.o ccsdt_lr_beta_4_4_8.o ccsdt_lr_beta_4_4_8_1.o OFFSET_ccsdt_lr_beta_4_4_8_1.o ccsdt_lr_beta_4_4_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_8_1_1.o ccsdt_lr_beta_4_4_8_2.o ccsdt_lr_beta_4_4_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_8_2_1.o ccsdt_lr_beta_4_4_9.o ccsdt_lr_beta_4_4_9_1.o OFFSET_ccsdt_lr_beta_4_4_9_1.o ccsdt_lr_beta_4_4_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_1_1.o ccsdt_lr_beta_4_4_9_1_2.o ccsdt_lr_beta_4_4_9_1_3.o ccsdt_lr_beta_4_4_9_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_9_1_3_1.o ccsdt_lr_beta_4_4_9_1_3_2.o ccsdt_lr_beta_4_4_9_1_4.o ccsdt_lr_beta_4_4_9_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_9_1_4_1.o ccsdt_lr_beta_4_4_9_1_4_2.o ccsdt_lr_beta_4_4_9_2.o ccsdt_lr_beta_4_4_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_2_1.o ccsdt_lr_beta_4_4_9_3.o ccsdt_lr_beta_4_4_9_3_1.o OFFSET_ccsdt_lr_beta_4_4_9_3_1.o ccsdt_lr_beta_4_4_9_4.o ccsdt_lr_beta_4_4_9_4_1.o OFFSET_ccsdt_lr_beta_4_4_9_4_1.o ccsdt_lr_beta_4_4_9_4_2.o ccsdt_lr_beta_4_4_9_4_3.o ccsdt_lr_beta_4_4_9_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_9_4_3_1.o ccsdt_lr_beta_4_4_9_4_3_2.o ccsdt_lr_beta_4_4_9_4_4.o ccsdt_lr_beta_4_4_9_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_9_4_4_1.o ccsdt_lr_beta_4_4_9_4_4_2.o ccsdt_lr_beta_4_4_9_5.o ccsdt_lr_beta_4_4_9_5_1.o OFFSET_ccsdt_lr_beta_4_4_9_5_1.o ccsdt_lr_beta_4_4_9_6.o ccsdt_lr_beta_4_4_9_6_1.o OFFSET_ccsdt_lr_beta_4_4_9_6_1.o ccsdt_lr_beta_4_4_9_7.o ccsdt_lr_beta_4_4_9_7_1.o OFFSET_ccsdt_lr_beta_4_4_9_7_1.o ccsdt_lr_beta_4_4_9_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_7_1_1.o ccsdt_lr_beta_4_4_9_7_2.o ccsdt_lr_beta_4_4_9_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_7_2_1.o ccsdt_lr_beta_4_4_9_8.o ccsdt_lr_beta_4_4_9_8_1.o OFFSET_ccsdt_lr_beta_4_4_9_8_1.o ccsdt_lr_beta_4_4_9_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_8_1_1.o ccsdt_lr_beta_4_4_9_8_1_2.o ccsdt_lr_beta_4_4_9_8_2.o ccsdt_lr_beta_4_4_9_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_8_2_1.o ccsdt_lr_beta_4_4_9_8_2_2.o ccsdt_lr_beta_4_4_9_9.o ccsdt_lr_beta_4_4_9_9_1.o OFFSET_ccsdt_lr_beta_4_4_9_9_1.o ccsdt_lr_beta_4_4_9_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_9_1_1.o ccsdt_lr_beta_4_4_9_9_2.o ccsdt_lr_beta_4_4_9_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_9_2_1.o ccsdt_lr_beta_4_4_9_10.o ccsdt_lr_beta_4_4_9_10_1.o OFFSET_ccsdt_lr_beta_4_4_9_10_1.o ccsdt_lr_beta_4_4_9_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_9_10_1_1.o ccsdt_lr_beta_4_4_9_10_2.o ccsdt_lr_beta_4_4_9_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_9_10_2_1.o ccsdt_lr_beta_4_4_10.o ccsdt_lr_beta_4_4_10_1.o OFFSET_ccsdt_lr_beta_4_4_10_1.o ccsdt_lr_beta_4_4_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_10_1_1.o ccsdt_lr_beta_4_4_10_2.o ccsdt_lr_beta_4_4_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_10_2_1.o ccsdt_lr_beta_4_4_11.o ccsdt_lr_beta_4_4_11_1.o OFFSET_ccsdt_lr_beta_4_4_11_1.o ccsdt_lr_beta_4_4_11_1_1.o OFFSET_ccsdt_lr_beta_4_4_11_1_1.o ccsdt_lr_beta_4_4_11_2.o ccsdt_lr_beta_4_4_11_2_1.o OFFSET_ccsdt_lr_beta_4_4_11_2_1.o ccsdt_lr_beta_4_4_12.o ccsdt_lr_beta_4_4_12_1.o OFFSET_ccsdt_lr_beta_4_4_12_1.o ccsdt_lr_beta_4_4_12_1_1.o OFFSET_ccsdt_lr_beta_4_4_12_1_1.o ccsdt_lr_beta_4_4_12_2.o ccsdt_lr_beta_4_4_12_2_1.o OFFSET_ccsdt_lr_beta_4_4_12_2_1.o ccsdt_lr_beta_4_4_13.o ccsdt_lr_beta_4_4_13_1.o OFFSET_ccsdt_lr_beta_4_4_13_1.o ccsdt_lr_beta_4_4_13_1_1.o OFFSET_ccsdt_lr_beta_4_4_13_1_1.o ccsdt_lr_beta_4_4_13_2.o ccsdt_lr_beta_4_4_13_2_1.o OFFSET_ccsdt_lr_beta_4_4_13_2_1.o ccsdt_lr_beta_4_4_13_3.o ccsdt_lr_beta_4_4_13_3_1.o OFFSET_ccsdt_lr_beta_4_4_13_3_1.o ccsdt_lr_beta_4_4_13_4.o ccsdt_lr_beta_4_4_13_4_1.o OFFSET_ccsdt_lr_beta_4_4_13_4_1.o ccsdt_lr_beta_4_4_14.o ccsdt_lr_beta_4_4_14_1.o OFFSET_ccsdt_lr_beta_4_4_14_1.o ccsdt_lr_beta_4_4_14_1_1.o OFFSET_ccsdt_lr_beta_4_4_14_1_1.o ccsdt_lr_beta_4_4_14_2.o ccsdt_lr_beta_4_4_14_2_1.o OFFSET_ccsdt_lr_beta_4_4_14_2_1.o ccsdt_lr_beta_4_4_15.o ccsdt_lr_beta_4_4_15_1.o OFFSET_ccsdt_lr_beta_4_4_15_1.o ccsdt_lr_beta_4_4_15_1_1.o OFFSET_ccsdt_lr_beta_4_4_15_1_1.o ccsdt_lr_beta_4_4_15_2.o ccsdt_lr_beta_4_4_15_2_1.o OFFSET_ccsdt_lr_beta_4_4_15_2_1.o ccsdt_lr_beta_4_4_16.o ccsdt_lr_beta_4_4_16_1.o OFFSET_ccsdt_lr_beta_4_4_16_1.o ccsdt_lr_beta_4_4_16_1_1.o OFFSET_ccsdt_lr_beta_4_4_16_1_1.o ccsdt_lr_beta_4_4_16_2.o ccsdt_lr_beta_4_4_16_2_1.o OFFSET_ccsdt_lr_beta_4_4_16_2_1.o ccsdt_lr_beta_4_4_17.o ccsdt_lr_beta_4_4_17_1.o OFFSET_ccsdt_lr_beta_4_4_17_1.o ccsdt_lr_beta_4_4_17_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_1_1.o ccsdt_lr_beta_4_4_17_1_2.o ccsdt_lr_beta_4_4_17_1_3.o ccsdt_lr_beta_4_4_17_1_3_1.o OFFSET_ccsdt_lr_beta_4_4_17_1_3_1.o ccsdt_lr_beta_4_4_17_1_3_2.o ccsdt_lr_beta_4_4_17_1_4.o ccsdt_lr_beta_4_4_17_1_4_1.o OFFSET_ccsdt_lr_beta_4_4_17_1_4_1.o ccsdt_lr_beta_4_4_17_1_4_2.o ccsdt_lr_beta_4_4_17_2.o ccsdt_lr_beta_4_4_17_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_2_1.o ccsdt_lr_beta_4_4_17_3.o ccsdt_lr_beta_4_4_17_3_1.o OFFSET_ccsdt_lr_beta_4_4_17_3_1.o ccsdt_lr_beta_4_4_17_4.o ccsdt_lr_beta_4_4_17_4_1.o OFFSET_ccsdt_lr_beta_4_4_17_4_1.o ccsdt_lr_beta_4_4_17_4_2.o ccsdt_lr_beta_4_4_17_4_3.o ccsdt_lr_beta_4_4_17_4_3_1.o OFFSET_ccsdt_lr_beta_4_4_17_4_3_1.o ccsdt_lr_beta_4_4_17_4_3_2.o ccsdt_lr_beta_4_4_17_4_4.o ccsdt_lr_beta_4_4_17_4_4_1.o OFFSET_ccsdt_lr_beta_4_4_17_4_4_1.o ccsdt_lr_beta_4_4_17_4_4_2.o ccsdt_lr_beta_4_4_17_5.o ccsdt_lr_beta_4_4_17_5_1.o OFFSET_ccsdt_lr_beta_4_4_17_5_1.o ccsdt_lr_beta_4_4_17_6.o ccsdt_lr_beta_4_4_17_6_1.o OFFSET_ccsdt_lr_beta_4_4_17_6_1.o ccsdt_lr_beta_4_4_17_7.o ccsdt_lr_beta_4_4_17_7_1.o OFFSET_ccsdt_lr_beta_4_4_17_7_1.o ccsdt_lr_beta_4_4_17_7_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_7_1_1.o ccsdt_lr_beta_4_4_17_7_2.o ccsdt_lr_beta_4_4_17_7_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_7_2_1.o ccsdt_lr_beta_4_4_17_8.o ccsdt_lr_beta_4_4_17_8_1.o OFFSET_ccsdt_lr_beta_4_4_17_8_1.o ccsdt_lr_beta_4_4_17_8_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_8_1_1.o ccsdt_lr_beta_4_4_17_8_2.o ccsdt_lr_beta_4_4_17_8_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_8_2_1.o ccsdt_lr_beta_4_4_17_9.o ccsdt_lr_beta_4_4_17_9_1.o OFFSET_ccsdt_lr_beta_4_4_17_9_1.o ccsdt_lr_beta_4_4_17_9_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_9_1_1.o ccsdt_lr_beta_4_4_17_9_1_2.o ccsdt_lr_beta_4_4_17_9_2.o ccsdt_lr_beta_4_4_17_9_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_9_2_1.o ccsdt_lr_beta_4_4_17_9_2_2.o ccsdt_lr_beta_4_4_17_10.o ccsdt_lr_beta_4_4_17_10_1.o OFFSET_ccsdt_lr_beta_4_4_17_10_1.o ccsdt_lr_beta_4_4_17_10_1_1.o OFFSET_ccsdt_lr_beta_4_4_17_10_1_1.o ccsdt_lr_beta_4_4_17_10_2.o ccsdt_lr_beta_4_4_17_10_2_1.o OFFSET_ccsdt_lr_beta_4_4_17_10_2_1.o ccsdt_lr_beta_4_4_18.o ccsdt_lr_beta_4_4_18_1.o OFFSET_ccsdt_lr_beta_4_4_18_1.o ccsdt_lr_beta_4_4_18_1_1.o OFFSET_ccsdt_lr_beta_4_4_18_1_1.o ccsdt_lr_beta_4_4_18_2.o ccsdt_lr_beta_4_4_18_2_1.o OFFSET_ccsdt_lr_beta_4_4_18_2_1.o ccsdt_lr_beta_4_4_19.o ccsdt_lr_beta_4_4_19_1.o OFFSET_ccsdt_lr_beta_4_4_19_1.o ccsdt_lr_beta_4_4_19_1_1.o OFFSET_ccsdt_lr_beta_4_4_19_1_1.o ccsdt_lr_beta_4_4_19_2.o ccsdt_lr_beta_4_4_19_2_1.o OFFSET_ccsdt_lr_beta_4_4_19_2_1.o ccsdt_lr_beta_4_4_20.o ccsdt_lr_beta_4_4_20_1.o OFFSET_ccsdt_lr_beta_4_4_20_1.o ccsdt_lr_beta_4_4_20_1_1.o OFFSET_ccsdt_lr_beta_4_4_20_1_1.o ccsdt_lr_beta_4_4_20_2.o ccsdt_lr_beta_4_4_20_2_1.o OFFSET_ccsdt_lr_beta_4_4_20_2_1.o ccsdt_lr_beta_4_4_21.o ccsdt_lr_beta_4_4_21_1.o OFFSET_ccsdt_lr_beta_4_4_21_1.o ccsdt_lr_beta_4_4_21_1_1.o OFFSET_ccsdt_lr_beta_4_4_21_1_1.o ccsdt_lr_beta_4_4_21_2.o ccsdt_lr_beta_4_4_21_2_1.o OFFSET_ccsdt_lr_beta_4_4_21_2_1.o ccsdt_lr_beta_4_4_21_3.o ccsdt_lr_beta_4_4_21_3_1.o OFFSET_ccsdt_lr_beta_4_4_21_3_1.o ccsdt_lr_beta_4_4_21_4.o ccsdt_lr_beta_4_4_21_4_1.o OFFSET_ccsdt_lr_beta_4_4_21_4_1.o ccsdt_lr_beta_4_4_22.o ccsdt_lr_beta_4_4_22_1.o OFFSET_ccsdt_lr_beta_4_4_22_1.o ccsdt_lr_beta_4_4_22_1_1.o OFFSET_ccsdt_lr_beta_4_4_22_1_1.o ccsdt_lr_beta_4_4_22_2.o ccsdt_lr_beta_4_4_22_2_1.o OFFSET_ccsdt_lr_beta_4_4_22_2_1.o ccsdt_lr_beta_4_4_23.o ccsdt_lr_beta_4_4_23_1.o OFFSET_ccsdt_lr_beta_4_4_23_1.o ccsdt_lr_beta_4_4_23_1_1.o OFFSET_ccsdt_lr_beta_4_4_23_1_1.o ccsdt_lr_beta_4_4_23_2.o ccsdt_lr_beta_4_4_23_2_1.o OFFSET_ccsdt_lr_beta_4_4_23_2_1.o ccsdt_lr_beta_4_4_24.o ccsdt_lr_beta_4_4_24_1.o OFFSET_ccsdt_lr_beta_4_4_24_1.o ccsdt_lr_beta_4_4_24_1_1.o OFFSET_ccsdt_lr_beta_4_4_24_1_1.o ccsdt_lr_beta_4_4_24_2.o ccsdt_lr_beta_4_4_24_2_1.o OFFSET_ccsdt_lr_beta_4_4_24_2_1.o ccsdt_lr_beta_4_4_25.o ccsdt_lr_beta_4_4_25_1.o OFFSET_ccsdt_lr_beta_4_4_25_1.o ccsdt_lr_beta_4_4_25_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_1_1.o ccsdt_lr_beta_4_4_25_1_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_1_1_1.o ccsdt_lr_beta_4_4_25_1_1_2.o ccsdt_lr_beta_4_4_25_1_2.o ccsdt_lr_beta_4_4_25_1_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_1_2_1.o ccsdt_lr_beta_4_4_25_1_2_2.o ccsdt_lr_beta_4_4_25_2.o ccsdt_lr_beta_4_4_25_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_2_1.o ccsdt_lr_beta_4_4_25_2_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_2_1_1.o ccsdt_lr_beta_4_4_25_2_2.o ccsdt_lr_beta_4_4_25_2_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_2_2_1.o ccsdt_lr_beta_4_4_25_3.o ccsdt_lr_beta_4_4_25_3_1.o OFFSET_ccsdt_lr_beta_4_4_25_3_1.o ccsdt_lr_beta_4_4_25_3_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_3_1_1.o ccsdt_lr_beta_4_4_25_3_1_2.o ccsdt_lr_beta_4_4_25_3_2.o ccsdt_lr_beta_4_4_25_3_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_3_2_1.o ccsdt_lr_beta_4_4_25_3_2_2.o ccsdt_lr_beta_4_4_25_4.o ccsdt_lr_beta_4_4_25_4_1.o OFFSET_ccsdt_lr_beta_4_4_25_4_1.o ccsdt_lr_beta_4_4_25_4_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_4_1_1.o ccsdt_lr_beta_4_4_25_4_2.o ccsdt_lr_beta_4_4_25_4_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_4_2_1.o ccsdt_lr_beta_4_4_25_5.o ccsdt_lr_beta_4_4_25_5_1.o OFFSET_ccsdt_lr_beta_4_4_25_5_1.o ccsdt_lr_beta_4_4_25_5_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_5_1_1.o ccsdt_lr_beta_4_4_25_5_1_2.o ccsdt_lr_beta_4_4_25_5_2.o ccsdt_lr_beta_4_4_25_5_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_5_2_1.o ccsdt_lr_beta_4_4_25_5_2_2.o ccsdt_lr_beta_4_4_25_6.o ccsdt_lr_beta_4_4_25_6_1.o OFFSET_ccsdt_lr_beta_4_4_25_6_1.o ccsdt_lr_beta_4_4_25_6_1_1.o OFFSET_ccsdt_lr_beta_4_4_25_6_1_1.o ccsdt_lr_beta_4_4_25_6_2.o ccsdt_lr_beta_4_4_25_6_2_1.o OFFSET_ccsdt_lr_beta_4_4_25_6_2_1.o ccsdt_lr_beta_4_5.o ccsdt_lr_beta_4_5_1.o OFFSET_ccsdt_lr_beta_4_5_1.o ccsdt_lr_beta_4_5_1_1.o OFFSET_ccsdt_lr_beta_4_5_1_1.o ccsdt_lr_beta_4_5_1_1_1.o OFFSET_ccsdt_lr_beta_4_5_1_1_1.o ccsdt_lr_beta_4_5_1_2.o ccsdt_lr_beta_4_5_1_2_1.o OFFSET_ccsdt_lr_beta_4_5_1_2_1.o ccsdt_lr_beta_4_5_1_3.o ccsdt_lr_beta_4_5_1_3_1.o OFFSET_ccsdt_lr_beta_4_5_1_3_1.o ccsdt_lr_beta_4_5_1_4.o ccsdt_lr_beta_4_5_1_4_1.o OFFSET_ccsdt_lr_beta_4_5_1_4_1.o ccsdt_lr_beta_4_5_2.o ccsdt_lr_beta_4_5_2_1.o OFFSET_ccsdt_lr_beta_4_5_2_1.o ccsdt_lr_beta_4_5_2_1_1.o OFFSET_ccsdt_lr_beta_4_5_2_1_1.o ccsdt_lr_beta_4_5_2_2.o ccsdt_lr_beta_4_5_2_2_1.o OFFSET_ccsdt_lr_beta_4_5_2_2_1.o ccsdt_lr_beta_4_5_2_3.o ccsdt_lr_beta_4_5_2_3_1.o OFFSET_ccsdt_lr_beta_4_5_2_3_1.o ccsdt_lr_beta_4_5_2_4.o ccsdt_lr_beta_4_5_2_4_1.o OFFSET_ccsdt_lr_beta_4_5_2_4_1.o ccsdt_lr_beta_4_5_3.o ccsdt_lr_beta_4_5_3_1.o OFFSET_ccsdt_lr_beta_4_5_3_1.o ccsdt_lr_beta_4_5_3_1_1.o OFFSET_ccsdt_lr_beta_4_5_3_1_1.o ccsdt_lr_beta_4_5_3_2.o ccsdt_lr_beta_4_5_3_2_1.o OFFSET_ccsdt_lr_beta_4_5_3_2_1.o ccsdt_lr_beta_4_5_3_3.o ccsdt_lr_beta_4_5_3_3_1.o OFFSET_ccsdt_lr_beta_4_5_3_3_1.o ccsdt_lr_beta_4_5_3_4.o ccsdt_lr_beta_4_5_3_4_1.o OFFSET_ccsdt_lr_beta_4_5_3_4_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_beta' Making all in ccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Compiling ccsdt_e.F... Compiling ccsdt_t1.F... Compiling ccsdt_t2.F... Compiling ccsdt_t3.F... Compiling ccsdt_t1a.F... Compiling ccsdt_t2a.F... Compiling ccsdt_t3a.F... Compiling ccsdt_t3_1.F... Compiling ccsdt_t3_1_1.F... Compiling OFFSET_ccsdt_t3_1_1.F... Compiling ccsdt_t3_1_2.F... Compiling ccsdt_t3_1_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_1.F... Compiling ccsdt_t3_1_2_2.F... Compiling ccsdt_t3_1_2_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_2_1.F... Compiling ccsdt_t3_1_2_2_2.F... Compiling ccsdt_t3_1_2_3.F... Compiling ccsdt_t3_1_3.F... Compiling ccsdt_t3_1_3_1.F... Compiling OFFSET_ccsdt_t3_1_3_1.F... Compiling ccsdt_t3_1_3_2.F... Compiling ccsdt_t3_1_4.F... Compiling ccsdt_t3_1_4_1.F... Compiling OFFSET_ccsdt_t3_1_4_1.F... Compiling ccsdt_t3_1_4_2.F... Compiling ccsdt_t3_1_5.F... Compiling ccsdt_t3_1_5_1.F... Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... Compiling ccsdt_t3_1_6.F... Compiling ccsdt_t3_1_7.F... Compiling ccsdt_t3_2.F... Compiling ccsdt_t3_2_1.F... Compiling OFFSET_ccsdt_t3_2_1.F... Compiling ccsdt_t3_2_2.F... Compiling ccsdt_t3_2_3.F... Compiling ccsdt_t3_2_3_1.F... Compiling OFFSET_ccsdt_t3_2_3_1.F... Compiling ccsdt_t3_2_3_2.F... Compiling ccsdt_t3_2_4.F... Compiling ccsdt_t3_2_5.F... Compiling ccsdt_t3_3.F... Compiling ccsdt_t3_3_1.F... Compiling OFFSET_ccsdt_t3_3_1.F... Compiling ccsdt_t3_3_2.F... Compiling ccsdt_t3_3_2_1.F... Compiling OFFSET_ccsdt_t3_3_2_1.F... Compiling ccsdt_t3_3_2_2.F... Compiling ccsdt_t3_3_3.F... Compiling ccsdt_t3_3_4.F... Compiling ccsdt_t3_4.F... Compiling ccsdt_t3_4_1.F... Compiling OFFSET_ccsdt_t3_4_1.F... Compiling ccsdt_t3_4_2.F... Compiling ccsdt_t3_4_3.F... Compiling ccsdt_t3_5.F... Compiling ccsdt_t3_5_1.F... Compiling OFFSET_ccsdt_t3_5_1.F... Compiling ccsdt_t3_5_2.F... Compiling ccsdt_t3_5_2_1.F... Compiling OFFSET_ccsdt_t3_5_2_1.F... Compiling ccsdt_t3_5_2_2.F... Compiling ccsdt_t3_5_3.F... Compiling ccsdt_t3_6.F... Compiling ccsdt_t3_6_1.F... Compiling OFFSET_ccsdt_t3_6_1.F... Compiling ccsdt_t3_6_2.F... Compiling ccsdt_t3_6_3.F... Compiling ccsdt_t3_7.F... Compiling ccsdt_t3_8.F... Compiling ccsdt_t3_8_1.F... Compiling OFFSET_ccsdt_t3_8_1.F... Compiling ccsdt_t3_8_1_1.F... Compiling OFFSET_ccsdt_t3_8_1_1.F... Compiling ccsdt_t3_8_1_2.F... Compiling ccsdt_t3_8_1_2_1.F... Compiling OFFSET_ccsdt_t3_8_1_2_1.F... Compiling ccsdt_t3_8_1_2_2.F... Compiling ccsdt_t3_8_1_3.F... Compiling ccsdt_t3_8_1_4.F... Compiling ccsdt_t3_8_2.F... Compiling ccsdt_t3_8_2_1.F... Compiling OFFSET_ccsdt_t3_8_2_1.F... Compiling ccsdt_t3_8_2_2.F... Compiling ccsdt_t3_8_3.F... Compiling ccsdt_t3_8_3_1.F... Compiling OFFSET_ccsdt_t3_8_3_1.F... Compiling ccsdt_t3_8_3_2.F... Compiling ccsdt_t3_8_4.F... Compiling ccsdt_t3_8_5.F... Compiling ccsdt_t3_8_5_1.F... Compiling OFFSET_ccsdt_t3_8_5_1.F... Compiling ccsdt_t3_9.F... Compiling ccsdt_t3_9_1.F... Compiling OFFSET_ccsdt_t3_9_1.F... Compiling ccsdt_t3a_1.F... Compiling ccsdt_t3a_1_1.F... Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... Compiling ccsdt_t3a_1_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_1.F... Compiling ccsdt_t3a_1_2_2.F... Compiling ccsdt_t3a_1_2_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... Compiling ccsdt_t3a_1_2_2_2.F... Compiling ccsdt_t3a_1_2_3.F... Compiling ccsdt_t3a_1_3.F... Compiling ccsdt_t3a_1_3_1.F... Compiling OFFSET_ccsdt_t3a_1_3_1.F... Compiling ccsdt_t3a_1_3_2.F... Compiling ccsdt_t3a_1_4.F... Compiling ccsdt_t3a_1_4_1.F... Compiling OFFSET_ccsdt_t3a_1_4_1.F... Compiling ccsdt_t3a_1_4_2.F... Compiling ccsdt_t3a_1_5.F... Compiling ccsdt_t3a_1_5_1.F... Compiling OFFSET_ccsdt_t3a_1_5_1.F... Compiling ccsdt_t3a_1_5_2.F... Compiling ccsdt_t3a_1_6.F... Compiling ccsdt_t3a_1_7.F... Compiling ccsdt_t3a_2.F... Compiling ccsdt_t3a_2_1.F... Compiling OFFSET_ccsdt_t3a_2_1.F... Compiling ccsdt_t3a_2_2.F... Compiling ccsdt_t3a_2_3.F... Compiling ccsdt_t3a_2_3_1.F... Compiling OFFSET_ccsdt_t3a_2_3_1.F... Compiling ccsdt_t3a_2_3_2.F... Compiling ccsdt_t3a_2_4.F... Compiling ccsdt_t3a_2_5.F... Compiling ccsdt_t3a_3.F... Compiling ccsdt_t3a_3_1.F... Compiling OFFSET_ccsdt_t3a_3_1.F... Compiling ccsdt_t3a_3_2.F... Compiling ccsdt_t3a_3_2_1.F... Compiling OFFSET_ccsdt_t3a_3_2_1.F... Compiling ccsdt_t3a_3_2_2.F... Compiling ccsdt_t3a_3_3.F... Compiling ccsdt_t3a_3_4.F... Compiling ccsdt_t3a_4.F... Compiling ccsdt_t3a_4_1.F... Compiling OFFSET_ccsdt_t3a_4_1.F... Compiling ccsdt_t3a_4_2.F... Compiling ccsdt_t3a_4_3.F... Compiling ccsdt_t3a_5.F... Compiling ccsdt_t3a_5_1.F... Compiling OFFSET_ccsdt_t3a_5_1.F... Compiling ccsdt_t3a_5_2.F... Compiling ccsdt_t3a_5_2_1.F... Compiling OFFSET_ccsdt_t3a_5_2_1.F... Compiling ccsdt_t3a_5_2_2.F... Compiling ccsdt_t3a_5_3.F... Compiling ccsdt_t3a_6.F... Compiling ccsdt_t3a_6_1.F... Compiling OFFSET_ccsdt_t3a_6_1.F... Compiling ccsdt_t3a_6_2.F... Compiling ccsdt_t3a_6_3.F... Compiling ccsdt_t3a_7.F... Compiling ccsdt_t3a_8.F... Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... Compiling ccsdt_t3a_8_1_1.F... Compiling OFFSET_ccsdt_t3a_8_1_1.F... Compiling ccsdt_t3a_8_1_2.F... Compiling ccsdt_t3a_8_1_2_1.F... Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... Compiling ccsdt_t3a_8_1_2_2.F... Compiling ccsdt_t3a_8_1_3.F... Compiling ccsdt_t3a_8_1_4.F... Compiling ccsdt_t3a_8_2.F... Compiling ccsdt_t3a_8_2_1.F... Compiling OFFSET_ccsdt_t3a_8_2_1.F... Compiling ccsdt_t3a_8_2_2.F... Compiling ccsdt_t3a_8_3.F... Compiling ccsdt_t3a_8_3_1.F... Compiling OFFSET_ccsdt_t3a_8_3_1.F... Compiling ccsdt_t3a_8_3_2.F... Compiling ccsdt_t3a_8_4.F... Compiling ccsdt_t3a_8_5.F... Compiling ccsdt_t3a_8_5_1.F... Compiling OFFSET_ccsdt_t3a_8_5_1.F... Compiling ccsdt_t3a_9.F... Compiling ccsdt_t3a_9_1.F... Compiling OFFSET_ccsdt_t3a_9_1.F... Compiling acolo.F... Compiling acolo_o.F... Compiling acolo_o_1p.F... Compiling acolo_o_2p.F... Compiling acolo_1p_2h.F... Compiling acolo_2h.F... Compiling acolo_1h.F... Compiling acolo_1p_1h.F... Compiling acolo_2p_1h.F... Compiling acolo_1p.F... Compiling acolo_1a_2h.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Making all in ccsdt_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... Compiling ccsdt_lambda1.F... Compiling ccsdt_lambda1_1.F... Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_1.F... Compiling ccsdt_lambda1_2_2.F... Compiling ccsdt_lambda1_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_2_1.F... Compiling ccsdt_lambda1_2_2_2.F... Compiling ccsdt_lambda1_2_3.F... Compiling ccsdt_lambda1_2_4.F... Compiling ccsdt_lambda1_3.F... Compiling ccsdt_lambda1_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_1.F... Compiling ccsdt_lambda1_3_2.F... Compiling ccsdt_lambda1_3_3.F... Compiling ccsdt_lambda1_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... Compiling ccsdt_lambda1_5.F... Compiling ccsdt_lambda1_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_1.F... Compiling ccsdt_lambda1_5_2.F... Compiling ccsdt_lambda1_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_1.F... Compiling ccsdt_lambda1_5_2_2.F... Compiling ccsdt_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... Compiling ccsdt_lambda1_5_2_2_2.F... Compiling ccsdt_lambda1_5_2_3.F... Compiling ccsdt_lambda1_5_2_4.F... Compiling ccsdt_lambda1_5_3.F... Compiling ccsdt_lambda1_5_3_1.F... Compiling OFFSET_ccsdt_lambda1_5_3_1.F... Compiling ccsdt_lambda1_5_3_2.F... Compiling ccsdt_lambda1_5_4.F... Compiling ccsdt_lambda1_5_5.F... Compiling ccsdt_lambda1_5_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_5_1.F... Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... Compiling ccsdt_lambda1_5_6_1.F... Compiling OFFSET_ccsdt_lambda1_5_6_1.F... Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6.F... Compiling ccsdt_lambda1_6_1.F... Compiling OFFSET_ccsdt_lambda1_6_1.F... Compiling ccsdt_lambda1_6_2.F... Compiling ccsdt_lambda1_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_1.F... Compiling ccsdt_lambda1_6_2_2.F... Compiling ccsdt_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... Compiling ccsdt_lambda1_6_2_2_2.F... Compiling ccsdt_lambda1_6_2_3.F... Compiling ccsdt_lambda1_6_3.F... Compiling ccsdt_lambda1_6_3_1.F... Compiling OFFSET_ccsdt_lambda1_6_3_1.F... Compiling ccsdt_lambda1_6_3_2.F... Compiling ccsdt_lambda1_6_4.F... Compiling ccsdt_lambda1_6_4_1.F... Compiling OFFSET_ccsdt_lambda1_6_4_1.F... Compiling ccsdt_lambda1_6_4_2.F... Compiling ccsdt_lambda1_6_5.F... Compiling ccsdt_lambda1_6_5_1.F... Compiling OFFSET_ccsdt_lambda1_6_5_1.F... Compiling ccsdt_lambda1_6_5_2.F... Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... Compiling ccsdt_lambda1_7.F... Compiling ccsdt_lambda1_7_1.F... Compiling OFFSET_ccsdt_lambda1_7_1.F... Compiling ccsdt_lambda1_7_2.F... Compiling ccsdt_lambda1_8.F... Compiling ccsdt_lambda1_8_1.F... Compiling OFFSET_ccsdt_lambda1_8_1.F... Compiling ccsdt_lambda1_8_2.F... Compiling ccsdt_lambda1_8_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_1.F... Compiling ccsdt_lambda1_8_2_2.F... Compiling ccsdt_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_3.F... Compiling ccsdt_lambda1_8_2_3.F... Compiling ccsdt_lambda1_8_2_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... Compiling ccsdt_lambda1_8_2_3_2.F... Compiling ccsdt_lambda1_8_2_4.F... Compiling ccsdt_lambda1_8_2_5.F... Compiling ccsdt_lambda1_8_2_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... Compiling ccsdt_lambda1_8_3.F... Compiling ccsdt_lambda1_8_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_3_1.F... Compiling ccsdt_lambda1_8_3_2.F... Compiling ccsdt_lambda1_8_4.F... Compiling ccsdt_lambda1_8_4_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_1.F... Compiling ccsdt_lambda1_8_4_2.F... Compiling ccsdt_lambda1_8_4_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... Compiling ccsdt_lambda1_8_5.F... Compiling ccsdt_lambda1_8_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_1.F... Compiling ccsdt_lambda1_8_5_2.F... Compiling ccsdt_lambda1_8_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_2_1.F... Compiling ccsdt_lambda1_8_6.F... Compiling ccsdt_lambda1_8_6_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_1.F... Compiling ccsdt_lambda1_8_6_2.F... Compiling ccsdt_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_2_1.F... Compiling ccsdt_lambda1_8_6_2_2.F... Compiling ccsdt_lambda1_8_6_3.F... Compiling ccsdt_lambda1_8_7.F... Compiling ccsdt_lambda1_8_7_1.F... Compiling OFFSET_ccsdt_lambda1_8_7_1.F... Compiling ccsdt_lambda1_8_7_2.F... Compiling ccsdt_lambda1_8_7_3.F... Compiling ccsdt_lambda1_8_8.F... Compiling ccsdt_lambda1_8_9.F... Compiling ccsdt_lambda1_8_9_1.F... Compiling OFFSET_ccsdt_lambda1_8_9_1.F... Compiling ccsdt_lambda1_8_9_2.F... Compiling ccsdt_lambda1_8_10.F... Compiling ccsdt_lambda1_8_10_1.F... Compiling OFFSET_ccsdt_lambda1_8_10_1.F... Compiling ccsdt_lambda1_8_10_2.F... Compiling ccsdt_lambda1_8_11.F... Compiling ccsdt_lambda1_8_12.F... Compiling ccsdt_lambda1_8_12_1.F... Compiling OFFSET_ccsdt_lambda1_8_12_1.F... Compiling ccsdt_lambda1_8_12_2.F... Compiling ccsdt_lambda1_8_12_3.F... Compiling ccsdt_lambda1_8_13.F... Compiling ccsdt_lambda1_8_13_1.F... Compiling OFFSET_ccsdt_lambda1_8_13_1.F... Compiling ccsdt_lambda1_8_13_2.F... Compiling ccsdt_lambda1_8_13_3.F... Compiling ccsdt_lambda1_8_14.F... Compiling ccsdt_lambda1_8_14_1.F... Compiling OFFSET_ccsdt_lambda1_8_14_1.F... Compiling ccsdt_lambda1_8_14_2.F... Compiling ccsdt_lambda1_9.F... Compiling ccsdt_lambda1_9_1.F... Compiling OFFSET_ccsdt_lambda1_9_1.F... Compiling ccsdt_lambda1_9_2.F... Compiling ccsdt_lambda1_9_3.F... Compiling ccsdt_lambda1_9_4.F... Compiling ccsdt_lambda1_9_4_1.F... Compiling OFFSET_ccsdt_lambda1_9_4_1.F... Compiling ccsdt_lambda1_9_4_2.F... Compiling ccsdt_lambda1_9_4_3.F... Compiling ccsdt_lambda1_9_5.F... Compiling ccsdt_lambda1_9_5_1.F... Compiling OFFSET_ccsdt_lambda1_9_5_1.F... Compiling ccsdt_lambda1_9_5_2.F... Compiling ccsdt_lambda1_9_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_9_5_2_1.F... Compiling ccsdt_lambda1_9_5_2_2.F... Compiling ccsdt_lambda1_9_6.F... Compiling ccsdt_lambda1_9_6_1.F... Compiling OFFSET_ccsdt_lambda1_9_6_1.F... Compiling ccsdt_lambda1_10.F... Compiling ccsdt_lambda1_10_1.F... Compiling OFFSET_ccsdt_lambda1_10_1.F... Compiling ccsdt_lambda1_10_2.F... Compiling ccsdt_lambda1_10_3.F... Compiling ccsdt_lambda1_11.F... Compiling ccsdt_lambda1_11_1.F... Compiling OFFSET_ccsdt_lambda1_11_1.F... Compiling ccsdt_lambda1_11_2.F... Compiling ccsdt_lambda1_11_3.F... Compiling ccsdt_lambda1_12.F... Compiling ccsdt_lambda1_12_1.F... Compiling OFFSET_ccsdt_lambda1_12_1.F... Compiling ccsdt_lambda1_12_2.F... Compiling ccsdt_lambda1_12_3.F... Compiling ccsdt_lambda1_13.F... Compiling ccsdt_lambda1_13_1.F... Compiling OFFSET_ccsdt_lambda1_13_1.F... Compiling ccsdt_lambda1_13_2.F... Compiling ccsdt_lambda1_14.F... Compiling ccsdt_lambda1_14_1.F... Compiling OFFSET_ccsdt_lambda1_14_1.F... Compiling ccsdt_lambda1_14_2.F... Compiling ccsdt_lambda1_14_3.F... Compiling ccsdt_lambda1_14_3_1.F... Compiling OFFSET_ccsdt_lambda1_14_3_1.F... Compiling ccsdt_lambda1_14_3_2.F... Compiling ccsdt_lambda1_14_3_3.F... Compiling ccsdt_lambda1_14_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_14_3_3_1.F... Compiling ccsdt_lambda1_14_3_3_2.F... Compiling ccsdt_lambda1_14_4.F... Compiling ccsdt_lambda1_14_4_1.F... Compiling OFFSET_ccsdt_lambda1_14_4_1.F... Compiling ccsdt_lambda1_14_5.F... Compiling ccsdt_lambda1_14_5_1.F... Compiling OFFSET_ccsdt_lambda1_14_5_1.F... Compiling ccsdt_lambda1_14_5_2.F... Compiling ccsdt_lambda1_14_6.F... Compiling ccsdt_lambda1_14_6_1.F... Compiling OFFSET_ccsdt_lambda1_14_6_1.F... Compiling ccsdt_lambda1_14_7.F... Compiling ccsdt_lambda1_14_7_1.F... Compiling OFFSET_ccsdt_lambda1_14_7_1.F... Compiling ccsdt_lambda1_14_8.F... Compiling ccsdt_lambda1_14_8_1.F... Compiling OFFSET_ccsdt_lambda1_14_8_1.F... Compiling ccsdt_lambda1_14_8_1_1.F... Compiling OFFSET_ccsdt_lambda1_14_8_1_1.F... Compiling ccsdt_lambda1_14_8_1_2.F... Compiling ccsdt_lambda1_14_9.F... Compiling ccsdt_lambda1_14_9_1.F... Compiling OFFSET_ccsdt_lambda1_14_9_1.F... Compiling ccsdt_lambda1_14_9_1_1.F... Compiling OFFSET_ccsdt_lambda1_14_9_1_1.F... Compiling ccsdt_lambda1_15.F... Compiling ccsdt_lambda1_15_1.F... Compiling OFFSET_ccsdt_lambda1_15_1.F... Compiling ccsdt_lambda1_15_2.F... Compiling ccsdt_lambda1_15_3.F... Compiling ccsdt_lambda1_15_3_1.F... Compiling OFFSET_ccsdt_lambda1_15_3_1.F... Compiling ccsdt_lambda1_15_4.F... Compiling ccsdt_lambda1_15_4_1.F... Compiling OFFSET_ccsdt_lambda1_15_4_1.F... Compiling ccsdt_lambda1_16.F... Compiling ccsdt_lambda1_16_1.F... Compiling OFFSET_ccsdt_lambda1_16_1.F... Compiling ccsdt_lambda1_16_2.F... Compiling ccsdt_lambda1_16_3.F... Compiling ccsdt_lambda1_16_3_1.F... Compiling OFFSET_ccsdt_lambda1_16_3_1.F... Compiling ccsdt_lambda1_16_3_2.F... Compiling ccsdt_lambda1_16_4.F... Compiling ccsdt_lambda1_16_4_1.F... Compiling OFFSET_ccsdt_lambda1_16_4_1.F... Compiling ccsdt_lambda1_17.F... Compiling ccsdt_lambda1_17_1.F... Compiling OFFSET_ccsdt_lambda1_17_1.F... Compiling ccsdt_lambda1_18.F... Compiling ccsdt_lambda1_18_1.F... Compiling OFFSET_ccsdt_lambda1_18_1.F... Compiling ccsdt_lambda1_18_1_1.F... Compiling OFFSET_ccsdt_lambda1_18_1_1.F... Compiling ccsdt_lambda1_18_1_2.F... Compiling ccsdt_lambda1_18_1_3.F... Compiling ccsdt_lambda1_18_1_4.F... Compiling ccsdt_lambda1_18_1_4_1.F... Compiling OFFSET_ccsdt_lambda1_18_1_4_1.F... Compiling ccsdt_lambda1_18_1_4_2.F... Compiling ccsdt_lambda1_18_2.F... Compiling ccsdt_lambda1_18_2_1.F... Compiling OFFSET_ccsdt_lambda1_18_2_1.F... Compiling ccsdt_lambda1_18_2_2.F... Compiling ccsdt_lambda1_18_3.F... Compiling ccsdt_lambda1_18_3_1.F... 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Compiling OFFSET_ccsdt_lambda2_26_2_1_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Making all in eomccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Compiling eomccsdt_x1.F... Compiling eomccsdt_x2.F... Compiling eomccsdt_y3.F... Compiling eomccsdt_density1.F... Compiling eomccsdt_denominator.F... Compiling eomccsdt_x1a.F... Compiling eomccsdt_x2a.F... Compiling eomccsdt_density1_1_1.F... Compiling eomccsdt_density1_1_2.F... Compiling eomccsdt_density1_1_3.F... Compiling eomccsdt_density1_1.F... Compiling eomccsdt_density1_2_1.F... Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... Compiling eomccsdt_density1_2.F... Compiling eomccsdt_density1_3_1.F... Compiling eomccsdt_density1_3_2.F... Compiling eomccsdt_density1_3_3.F... Compiling eomccsdt_density1_3_4_1.F... Compiling eomccsdt_density1_3_4_2.F... Compiling eomccsdt_density1_3_4_3.F... Compiling eomccsdt_density1_3_4.F... Compiling eomccsdt_density1_3_5_1.F... Compiling eomccsdt_density1_3_5_2.F... Compiling eomccsdt_density1_3_5.F... Compiling eomccsdt_density1_3_6_1.F... Compiling eomccsdt_density1_3_6.F... Compiling eomccsdt_density1_3.F... Compiling eomccsdt_density1_4_1.F... Compiling eomccsdt_density1_4_2_1.F... Compiling eomccsdt_density1_4_2.F... Compiling eomccsdt_density1_4.F... Compiling eomccsdt_density1_5_10_1.F... Compiling eomccsdt_density1_5_10_2_1.F... Compiling eomccsdt_density1_5_10_2_2_1.F... Compiling eomccsdt_density1_5_10_2_2_2.F... Compiling eomccsdt_density1_5_10_2_2.F... Compiling eomccsdt_density1_5_10_2.F... Compiling eomccsdt_density1_5_10_3_1.F... Compiling eomccsdt_density1_5_10_3.F... Compiling eomccsdt_density1_5_10.F... Compiling eomccsdt_density1_5_11_1.F... Compiling eomccsdt_density1_5_11.F... Compiling eomccsdt_density1_5_12_1.F... Compiling eomccsdt_density1_5_12.F... Compiling eomccsdt_density1_5_13_1_1.F... Compiling eomccsdt_density1_5_13_1.F... Compiling eomccsdt_density1_5_13.F... Compiling eomccsdt_density1_5_1.F... Compiling eomccsdt_density1_5_2.F... Compiling eomccsdt_density1_5_3_1.F... Compiling eomccsdt_density1_5_3_2.F... Compiling eomccsdt_density1_5_3_3.F... Compiling eomccsdt_density1_5_3_4_1.F... Compiling eomccsdt_density1_5_3_4_2.F... Compiling eomccsdt_density1_5_3_4_3.F... Compiling eomccsdt_density1_5_3_4.F... Compiling eomccsdt_density1_5_3_5_1.F... Compiling eomccsdt_density1_5_3_5_2.F... Compiling eomccsdt_density1_5_3_5.F... Compiling eomccsdt_density1_5_3_6_1.F... Compiling eomccsdt_density1_5_3_6.F... Compiling eomccsdt_density1_5_3.F... Compiling eomccsdt_density1_5_4_1.F... Compiling eomccsdt_density1_5_4_2.F... Compiling eomccsdt_density1_5_4_3.F... Compiling eomccsdt_density1_5_4.F... Compiling eomccsdt_density1_5_5_1.F... Compiling eomccsdt_density1_5_5_2.F... Compiling eomccsdt_density1_5_5_3.F... Compiling eomccsdt_density1_5_5.F... Compiling eomccsdt_density1_5_6_1.F... Compiling eomccsdt_density1_5_6_2.F... Compiling eomccsdt_density1_5_6.F... Compiling eomccsdt_density1_5_7_1.F... Compiling eomccsdt_density1_5_7.F... Compiling eomccsdt_density1_5_8_1.F... Compiling eomccsdt_density1_5_8_2.F... Compiling eomccsdt_density1_5_8_3.F... Compiling eomccsdt_density1_5_8.F... Compiling eomccsdt_density1_5_9_1.F... Compiling eomccsdt_density1_5_9_2.F... Compiling eomccsdt_density1_5_9.F... Compiling eomccsdt_density1_5.F... Compiling eomccsdt_density1_6_1.F... Compiling eomccsdt_density1_6_2.F... Compiling eomccsdt_density1_6_3_1.F... Compiling eomccsdt_density1_6_3_2.F... Compiling eomccsdt_density1_6_3.F... Compiling eomccsdt_density1_6_4_1.F... Compiling eomccsdt_density1_6_4_2.F... Compiling eomccsdt_density1_6_4.F... Compiling eomccsdt_density1_6_5_1.F... Compiling eomccsdt_density1_6_5.F... Compiling eomccsdt_density1_6.F... Compiling eomccsdt_x2a_all12.F... Compiling eomccsdt_x2a_all15.F... Compiling eomccsdt_x2a_all18.F... Compiling eomccsdt_x2a_all3.F... Compiling eomccsdt_x2a_all6.F... Compiling eomccsdt_x2a_all9.F... Compiling eomccsdt_x2_all12.F... Compiling eomccsdt_x2_all15.F... Compiling eomccsdt_x2_all18.F... Compiling eomccsdt_x2_all3.F... Compiling eomccsdt_x2_all6.F... Compiling eomccsdt_x2_all9.F... Compiling eomccsdt_x3a_all12.F... Compiling eomccsdt_x3a_all15.F... Compiling eomccsdt_x3a_all17.F... Compiling eomccsdt_x3a_all3.F... Compiling eomccsdt_x3a_all6.F... Compiling eomccsdt_x3a_all9.F... Compiling eomccsdt_x3a.F... Compiling eomccsdt_x3_all12.F... Compiling eomccsdt_x3_all15.F... Compiling eomccsdt_x3_all17.F... Compiling eomccsdt_x3_all3.F... Compiling eomccsdt_x3_all6.F... Compiling eomccsdt_x3_all9.F... Compiling eomccsdt_x3.F... Compiling eomccsdt_y1_all12.F... Compiling eomccsdt_y1_all15.F... Compiling eomccsdt_y1_all18.F... Compiling eomccsdt_y1_all20.F... Compiling eomccsdt_y1_all3.F... Compiling eomccsdt_y1_all6.F... Compiling eomccsdt_y1_all9.F... Compiling eomccsdt_y1.F... Compiling eomccsdt_y2_all12.F... Compiling eomccsdt_y2_all15.F... Compiling eomccsdt_y2_all18.F... Compiling eomccsdt_y2_all21.F... Compiling eomccsdt_y2_all24.F... Compiling eomccsdt_y2_all25.F... Compiling eomccsdt_y2_all3.F... Compiling eomccsdt_y2_all6.F... Compiling eomccsdt_y2_all9.F... Compiling eomccsdt_y2.F... Compiling OFFSET_eomccsdt_1.F... Compiling OFFSET_eomccsdt_2.F... Compiling OFFSET_eomccsdt_3.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Making all in ccsd_alpha make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Compiling alpha_1_1_1.F... Compiling alpha_1_1_2.F... Compiling alpha_1_1_3_1.F... Compiling alpha_1_1_3_2.F... Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... Compiling alpha_1_1_5_1.F... Compiling alpha_1_1_5.F... Compiling alpha_1_1_6_1.F... Compiling alpha_1_1_6.F... Compiling alpha_1_1.F... Compiling alpha_1_2_1.F... Compiling alpha_1_2_2.F... Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... Compiling alpha_1_3.F... Compiling alpha_1_4_1.F... Compiling alpha_1_4.F... Compiling alpha_1.F... Compiling alpha_2_1_1.F... Compiling alpha_2_1.F... Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... Compiling alpha_2_2_1.F... Compiling alpha_2_2_2_1.F... Compiling alpha_2_2_2_2.F... Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... Compiling alpha_2_2_3.F... Compiling alpha_2_2_4_1.F... Compiling alpha_2_2_4.F... Compiling alpha_2_2.F... Compiling alpha_2_3_1_1.F... Compiling alpha_2_3_1_2.F... Compiling alpha_2_3_1_3_1.F... Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... Compiling alpha_2_3_1_4.F... Compiling alpha_2_3_1.F... Compiling alpha_2_3_2_1.F... Compiling alpha_2_3_2_2.F... Compiling alpha_2_3_2_3_1.F... Compiling alpha_2_3_2_3.F... Compiling alpha_2_3_2_4_1.F... Compiling alpha_2_3_2_4.F... Compiling alpha_2_3_2.F... Compiling alpha_2_3_3_1.F... Compiling alpha_2_3_3.F... Compiling alpha_2_3_4_1.F... Compiling alpha_2_3_4.F... Compiling alpha_2_3_5_1.F... Compiling alpha_2_3_5.F... Compiling alpha_2_3_6_1.F... Compiling alpha_2_3_6.F... Compiling alpha_2_3_7_1.F... Compiling alpha_2_3_7.F... Compiling alpha_2_3_8_1.F... Compiling alpha_2_3_8.F... Compiling alpha_2_3_9_1_1.F... Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... Compiling alpha_2_3_9_2.F... Compiling alpha_2_3_9.F... Compiling alpha_2_3.F... Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... Compiling alpha_2_4.F... Compiling alpha_2_5_10_1_1.F... Compiling alpha_2_5_10_1.F... Compiling alpha_2_5_10_2_1.F... Compiling alpha_2_5_10_2.F... Compiling alpha_2_5_10_3_1.F... Compiling alpha_2_5_10_3.F... Compiling alpha_2_5_10_4_1.F... Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... Compiling alpha_2_5_10_5.F... Compiling alpha_2_5_10_6_1.F... Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... Compiling alpha_2_5_10_7.F... Compiling alpha_2_5_10_8_1_1.F... Compiling alpha_2_5_10_8_1.F... Compiling alpha_2_5_10_8.F... Compiling alpha_2_5_10.F... Compiling alpha_2_5_11_1_1.F... Compiling alpha_2_5_11_1.F... Compiling alpha_2_5_1_1.F... Compiling alpha_2_5_11.F... Compiling alpha_2_5_12_1_1.F... Compiling alpha_2_5_12_1.F... Compiling alpha_2_5_1_2.F... Compiling alpha_2_5_12.F... Compiling alpha_2_5_13_1_1.F... Compiling alpha_2_5_1_3_1.F... Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... Compiling alpha_2_5_13_2.F... Compiling alpha_2_5_1_3.F... Compiling alpha_2_5_13.F... Compiling alpha_2_5_14_1_1.F... Compiling alpha_2_5_14_1.F... Compiling alpha_2_5_14_2_1.F... Compiling alpha_2_5_14_2.F... Compiling alpha_2_5_14.F... Compiling alpha_2_5_1.F... Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... Compiling alpha_2_5_3_2.F... Compiling alpha_2_5_3.F... Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2_1.F... Compiling alpha_2_5_4_2.F... Compiling alpha_2_5_4.F... Compiling alpha_2_5_5_1.F... Compiling alpha_2_5_5_2.F... Compiling alpha_2_5_5.F... Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... Compiling alpha_2_5_7_1.F... Compiling alpha_2_5_7.F... Compiling alpha_2_5_8_1.F... Compiling alpha_2_5_8.F... Compiling alpha_2_5_9_1.F... Compiling alpha_2_5_9.F... Compiling alpha_2_5.F... Compiling alpha_2_6_1_1.F... Compiling alpha_2_6_1.F... Compiling alpha_2_6.F... Compiling alpha_2_7_1_1.F... Compiling alpha_2_7_1_2_1.F... Compiling alpha_2_7_1_2.F... Compiling alpha_2_7_1.F... Compiling alpha_2_7_2_1.F... Compiling alpha_2_7_2.F... Compiling alpha_2_7_3_1.F... Compiling alpha_2_7_3.F... Compiling alpha_2_7_4_1.F... Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... Compiling alpha_2_7_4.F... Compiling alpha_2_7_5_1.F... Compiling alpha_2_7_5.F... Compiling alpha_2_7_6_1.F... Compiling alpha_2_7_6.F... Compiling alpha_2_7_7_1_1.F... Compiling alpha_2_7_7_1.F... Compiling alpha_2_7_7.F... Compiling alpha_2_7.F... Compiling alpha_2_8_1_1.F... Compiling alpha_2_8_1.F... Compiling alpha_2_8_2_1.F... Compiling alpha_2_8_2.F... Compiling alpha_2_8_3_1.F... Compiling alpha_2_8_3.F... Compiling alpha_2_8_4_1_1.F... Compiling alpha_2_8_4_1_2_1.F... Compiling alpha_2_8_4_1_2.F... Compiling alpha_2_8_4_1.F... Compiling alpha_2_8_4_2_1.F... Compiling alpha_2_8_4_2.F... Compiling alpha_2_8_4_3_1.F... Compiling alpha_2_8_4_3_2_1.F... Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... Compiling alpha_2_8_4_4_1.F... Compiling alpha_2_8_4_4.F... Compiling alpha_2_8_4_5_1_1.F... Compiling alpha_2_8_4_5_1.F... Compiling alpha_2_8_4_5.F... Compiling alpha_2_8_4.F... Compiling alpha_2_8_5_1_1.F... Compiling alpha_2_8_5_1.F... Compiling alpha_2_8_5_2_1.F... Compiling alpha_2_8_5_2.F... Compiling alpha_2_8_5.F... Compiling alpha_2_8_6_1_1.F... Compiling alpha_2_8_6_1.F... Compiling alpha_2_8_6_2_1.F... Compiling alpha_2_8_6_2.F... Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... Compiling alpha_2_8_6_4_1.F... Compiling alpha_2_8_6_4.F... Compiling alpha_2_8_6.F... Compiling alpha_2_8_7_1_1.F... Compiling alpha_2_8_7_1.F... Compiling alpha_2_8_7.F... Compiling alpha_2_8_8_1_1.F... Compiling alpha_2_8_8_1.F... Compiling alpha_2_8_8.F... Compiling alpha_2_8.F... Compiling alpha_2.F... Compiling dip_r_1_1.F... Compiling dip_r_1_2.F... Compiling dip_r_1.F... Compiling dip_r_2.F... Compiling dip_r.F... Compiling offset_alpha_1_1_1.F... Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... Compiling offset_alpha_1_1_5_1.F... Compiling offset_alpha_1_1_6_1.F... Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... Compiling offset_alpha_2_1_1.F... Compiling offset_alpha_2_2_1_1.F... Compiling offset_alpha_2_2_1.F... Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... Compiling offset_alpha_2_2_4_1.F... Compiling offset_alpha_2_3_1_1.F... Compiling offset_alpha_2_3_1_3_1.F... Compiling offset_alpha_2_3_1_4_1.F... Compiling offset_alpha_2_3_1.F... Compiling offset_alpha_2_3_2_1.F... Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... Compiling offset_alpha_2_3_3_1.F... Compiling offset_alpha_2_3_4_1.F... Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... Compiling offset_alpha_2_3_7_1.F... Compiling offset_alpha_2_3_8_1.F... Compiling offset_alpha_2_3_9_1_1.F... Compiling offset_alpha_2_3_9_1.F... Compiling offset_alpha_2_3_9_2_1.F... Compiling offset_alpha_2_4_1_1.F... Compiling offset_alpha_2_4_1.F... Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... Compiling offset_alpha_2_5_10_2_1.F... Compiling offset_alpha_2_5_10_3_1.F... Compiling offset_alpha_2_5_10_4_1.F... Compiling offset_alpha_2_5_10_5_1.F... Compiling offset_alpha_2_5_10_6_1.F... Compiling offset_alpha_2_5_10_7_1.F... Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... Compiling offset_alpha_2_5_11_1_1.F... Compiling offset_alpha_2_5_11_1.F... Compiling offset_alpha_2_5_1_1.F... Compiling offset_alpha_2_5_12_1_1.F... Compiling offset_alpha_2_5_12_1.F... Compiling offset_alpha_2_5_13_1_1.F... Compiling offset_alpha_2_5_1_3_1.F... Compiling offset_alpha_2_5_13_1.F... Compiling offset_alpha_2_5_13_2_1.F... Compiling offset_alpha_2_5_14_1_1.F... Compiling offset_alpha_2_5_14_1.F... Compiling offset_alpha_2_5_14_2_1.F... Compiling offset_alpha_2_5_1.F... Compiling offset_alpha_2_5_2_1.F... Compiling offset_alpha_2_5_3_1.F... Compiling offset_alpha_2_5_4_1.F... Compiling offset_alpha_2_5_4_2_1.F... Compiling offset_alpha_2_5_5_1.F... Compiling offset_alpha_2_5_6_1.F... Compiling offset_alpha_2_5_7_1.F... Compiling offset_alpha_2_5_8_1.F... Compiling offset_alpha_2_5_9_1.F... Compiling offset_alpha_2_6_1_1.F... Compiling offset_alpha_2_6_1.F... Compiling offset_alpha_2_7_1_1.F... Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... Compiling offset_alpha_2_7_2_1.F... Compiling offset_alpha_2_7_3_1.F... Compiling offset_alpha_2_7_4_1.F... Compiling offset_alpha_2_7_4_2_1.F... Compiling offset_alpha_2_7_5_1.F... Compiling offset_alpha_2_7_6_1.F... Compiling offset_alpha_2_7_7_1_1.F... Compiling offset_alpha_2_7_7_1.F... Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... Compiling offset_alpha_2_8_2_1.F... Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... Compiling offset_alpha_2_8_4_1_2_1.F... Compiling offset_alpha_2_8_4_1.F... Compiling offset_alpha_2_8_4_2_1.F... Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... Compiling offset_alpha_2_8_4_4_1.F... Compiling offset_alpha_2_8_4_5_1_1.F... Compiling offset_alpha_2_8_4_5_1.F... Compiling offset_alpha_2_8_5_1_1.F... Compiling offset_alpha_2_8_5_1.F... Compiling offset_alpha_2_8_5_2_1.F... Compiling offset_alpha_2_8_6_1_1.F... Compiling offset_alpha_2_8_6_1.F... Compiling offset_alpha_2_8_6_2_1.F... Compiling offset_alpha_2_8_6_3_1.F... Compiling offset_alpha_2_8_6_4_1.F... Compiling offset_alpha_2_8_7_1_1.F... Compiling offset_alpha_2_8_7_1.F... Compiling offset_alpha_2_8_8_1_1.F... Compiling offset_alpha_2_8_8_1.F... Compiling offset_dip_r_1_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Making all in ccsd_beta make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Compiling beta_1_all.F... Compiling beta_2_all.F... Compiling beta_3_all.F... Compiling beta_4_all.F... Compiling beta_all_offsets.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Making all in ccsd_yr make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... Compiling ccsd_yr1.F... Compiling ccsd_yr2.F... Compiling ccsd_y_tr1.F... Compiling ccsd_y_tr2.F... Compiling alpha_2_yr.F... Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... Compiling ccsd_lr_d1_hp.F... Compiling ccsd_lr_d1_pp.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Making all in response make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' Compiling ccsd_o1.F... Compiling ccsd_o2.F... Compiling eomccsd_o1.F... Compiling eomccsd_o2.F... Compiling ccsdt_o1.F... Compiling ccsdt_o2.F... Compiling ccsdt_o3.F... Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... Compiling ccsdtq_o3.F... Compiling ccsdtq_o4.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' Making all in ccsdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' Compiling ccsdtq_e.F... Compiling ccsdtq_t1.F... Compiling ccsdtq_t2.F... Compiling ccsdtq_t3.F... Compiling ccsdtq_t4.F... Compiling ccsdtq_t3_1.F... Compiling ccsdtq_t3_1_2.F... Compiling ccsdtq_t3_1_2_2.F... Compiling ccsdtq_t3_1_2_2_2.F... Compiling ccsdtq_t3_1_2_3.F... Compiling ccsdtq_t3_1_3.F... Compiling ccsdtq_t3_1_3_2.F... Compiling ccsdtq_t3_1_4.F... Compiling ccsdtq_t3_1_4_2.F... Compiling ccsdtq_t3_1_5.F... Compiling ccsdtq_t3_1_5_2.F... Compiling ccsdtq_t3_1_6.F... Compiling ccsdtq_t3_1_7.F... Compiling ccsdtq_t3_2.F... Compiling ccsdtq_t3_2_2.F... Compiling ccsdtq_t3_2_3.F... Compiling ccsdtq_t3_2_3_2.F... Compiling ccsdtq_t3_2_4.F... Compiling ccsdtq_t3_2_5.F... Compiling ccsdtq_t3_3.F... Compiling ccsdtq_t3_3_2.F... Compiling ccsdtq_t3_3_2_2.F... Compiling ccsdtq_t3_3_3.F... Compiling ccsdtq_t3_3_4.F... Compiling ccsdtq_t3_4.F... Compiling ccsdtq_t3_4_2.F... Compiling ccsdtq_t3_4_3.F... Compiling ccsdtq_t3_5.F... Compiling ccsdtq_t3_5_2.F... Compiling ccsdtq_t3_5_2_2.F... Compiling ccsdtq_t3_5_3.F... Compiling ccsdtq_t3_6.F... Compiling ccsdtq_t3_6_2.F... Compiling ccsdtq_t3_6_3.F... Compiling ccsdtq_t3_7.F... Compiling ccsdtq_t3_8.F... Compiling ccsdtq_t3_8_2.F... Compiling ccsdtq_t3_9.F... Compiling ccsdtq_t3_9_2.F... Compiling ccsdtq_t3_10.F... Compiling ccsdtq_t3_11.F... Compiling ccsdtq_t3_11_1.F... Compiling ccsdtq_t3_11_1_2.F... Compiling ccsdtq_t3_11_1_2_2.F... Compiling ccsdtq_t3_11_1_3.F... Compiling ccsdtq_t3_11_1_4.F... Compiling ccsdtq_t3_11_2.F... Compiling ccsdtq_t3_11_2_2.F... Compiling ccsdtq_t3_11_3.F... Compiling ccsdtq_t3_11_3_2.F... Compiling ccsdtq_t3_11_4.F... Compiling ccsdtq_t3_11_5.F... Compiling ccsdtq_t3_11_6.F... Compiling ccsdtq_t3_11_6_1.F... Compiling ccsdtq_t3_12.F... Compiling ccsdtq_t3_12_1.F... Compiling ccsdtq_t4_1.F... Compiling ccsdtq_t4_1_2.F... Compiling ccsdtq_t4_1_2_2.F... Compiling ccsdtq_t4_1_2_2_2.F... Compiling ccsdtq_t4_1_2_3.F... Compiling ccsdtq_t4_1_3.F... Compiling ccsdtq_t4_1_3_2.F... Compiling ccsdtq_t4_1_4.F... Compiling ccsdtq_t4_1_4_2.F... Compiling ccsdtq_t4_1_5.F... Compiling ccsdtq_t4_1_5_2.F... Compiling ccsdtq_t4_1_6.F... Compiling ccsdtq_t4_1_7.F... Compiling ccsdtq_t4_2.F... Compiling ccsdtq_t4_2_2.F... Compiling ccsdtq_t4_2_3.F... Compiling ccsdtq_t4_2_3_2.F... Compiling ccsdtq_t4_2_4.F... Compiling ccsdtq_t4_2_5.F... Compiling ccsdtq_t4_3.F... Compiling ccsdtq_t4_3_2.F... Compiling ccsdtq_t4_3_2_2.F... Compiling ccsdtq_t4_3_3.F... Compiling ccsdtq_t4_3_4.F... Compiling ccsdtq_t4_4.F... Compiling ccsdtq_t4_4_2.F... Compiling ccsdtq_t4_4_3.F... Compiling ccsdtq_t4_5.F... Compiling ccsdtq_t4_5_2.F... Compiling ccsdtq_t4_5_2_2.F... Compiling ccsdtq_t4_5_3.F... Compiling ccsdtq_t4_6.F... Compiling ccsdtq_t4_6_2.F... Compiling ccsdtq_t4_6_3.F... Compiling ccsdtq_t4_7.F... Compiling ccsdtq_t4_8.F... Compiling ccsdtq_t4_8_1.F... Compiling ccsdtq_t4_8_1_2.F... Compiling ccsdtq_t4_8_1_2_2.F... Compiling ccsdtq_t4_8_1_3.F... Compiling ccsdtq_t4_8_1_4.F... Compiling ccsdtq_t4_8_2.F... Compiling ccsdtq_t4_8_2_2.F... Compiling ccsdtq_t4_8_3.F... Compiling ccsdtq_t4_8_3_2.F... Compiling ccsdtq_t4_8_4.F... Compiling ccsdtq_t4_8_5.F... Compiling ccsdtq_t4_8_5_1.F... Compiling ccsdtq_t4_8_6.F... Compiling ccsdtq_t4_8_6_1.F... Compiling ccsdtq_t4_8_6_1_2.F... Compiling ccsdtq_t4_8_6_2.F... Compiling ccsdtq_t4_9.F... Compiling ccsdtq_t4_9_1.F... Compiling ccsdtq_t4_9_1_2.F... Compiling ccsdtq_t4_9_1_2_2.F... Compiling ccsdtq_t4_9_1_3.F... Compiling ccsdtq_t4_9_2.F... Compiling ccsdtq_t4_9_2_2.F... Compiling ccsdtq_t4_9_2_2_2.F... Compiling ccsdtq_t4_9_2_3.F... Compiling ccsdtq_t4_9_2_4.F... Compiling ccsdtq_t4_9_3.F... Compiling ccsdtq_t4_9_3_2.F... Compiling ccsdtq_t4_9_4.F... Compiling ccsdtq_t4_9_4_2.F... Compiling ccsdtq_t4_9_5.F... Compiling ccsdtq_t4_9_5_2.F... Compiling ccsdtq_t4_9_6.F... Compiling ccsdtq_t4_10.F... Compiling ccsdtq_t4_10_1.F... Compiling ccsdtq_t4_10_1_2.F... Compiling ccsdtq_t4_10_2.F... Compiling ccsdtq_t4_10_2_2.F... Compiling ccsdtq_t4_10_3.F... Compiling ccsdtq_t4_10_4.F... Compiling ccsdtq_t4_11.F... Compiling ccsdtq_t4_11_1.F... Compiling ccsdtq_t4_12.F... Compiling ccsdtq_t4_12_1.F... Compiling ccsdtq_t4_13.F... Compiling ccsdtq_t4_13_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdtq_e.o ccsdtq_t1.o ccsdtq_t2.o ccsdtq_t3.o ccsdtq_t4.o ccsdtq_t3_1.o ccsdtq_t3_1_2.o ccsdtq_t3_1_2_2.o ccsdtq_t3_1_2_2_2.o ccsdtq_t3_1_2_3.o ccsdtq_t3_1_3.o ccsdtq_t3_1_3_2.o ccsdtq_t3_1_4.o ccsdtq_t3_1_4_2.o ccsdtq_t3_1_5.o ccsdtq_t3_1_5_2.o ccsdtq_t3_1_6.o ccsdtq_t3_1_7.o ccsdtq_t3_2.o ccsdtq_t3_2_2.o ccsdtq_t3_2_3.o ccsdtq_t3_2_3_2.o ccsdtq_t3_2_4.o ccsdtq_t3_2_5.o ccsdtq_t3_3.o ccsdtq_t3_3_2.o ccsdtq_t3_3_2_2.o ccsdtq_t3_3_3.o ccsdtq_t3_3_4.o ccsdtq_t3_4.o ccsdtq_t3_4_2.o ccsdtq_t3_4_3.o ccsdtq_t3_5.o ccsdtq_t3_5_2.o ccsdtq_t3_5_2_2.o ccsdtq_t3_5_3.o ccsdtq_t3_6.o ccsdtq_t3_6_2.o ccsdtq_t3_6_3.o ccsdtq_t3_7.o ccsdtq_t3_8.o ccsdtq_t3_8_2.o ccsdtq_t3_9.o ccsdtq_t3_9_2.o ccsdtq_t3_10.o ccsdtq_t3_11.o ccsdtq_t3_11_1.o ccsdtq_t3_11_1_2.o ccsdtq_t3_11_1_2_2.o ccsdtq_t3_11_1_3.o ccsdtq_t3_11_1_4.o ccsdtq_t3_11_2.o ccsdtq_t3_11_2_2.o ccsdtq_t3_11_3.o ccsdtq_t3_11_3_2.o ccsdtq_t3_11_4.o ccsdtq_t3_11_5.o ccsdtq_t3_11_6.o ccsdtq_t3_11_6_1.o ccsdtq_t3_12.o ccsdtq_t3_12_1.o ccsdtq_t4_1.o ccsdtq_t4_1_2.o ccsdtq_t4_1_2_2.o ccsdtq_t4_1_2_2_2.o ccsdtq_t4_1_2_3.o ccsdtq_t4_1_3.o ccsdtq_t4_1_3_2.o ccsdtq_t4_1_4.o ccsdtq_t4_1_4_2.o ccsdtq_t4_1_5.o ccsdtq_t4_1_5_2.o ccsdtq_t4_1_6.o ccsdtq_t4_1_7.o ccsdtq_t4_2.o ccsdtq_t4_2_2.o ccsdtq_t4_2_3.o ccsdtq_t4_2_3_2.o ccsdtq_t4_2_4.o ccsdtq_t4_2_5.o ccsdtq_t4_3.o ccsdtq_t4_3_2.o ccsdtq_t4_3_2_2.o ccsdtq_t4_3_3.o ccsdtq_t4_3_4.o ccsdtq_t4_4.o ccsdtq_t4_4_2.o ccsdtq_t4_4_3.o ccsdtq_t4_5.o ccsdtq_t4_5_2.o ccsdtq_t4_5_2_2.o ccsdtq_t4_5_3.o ccsdtq_t4_6.o ccsdtq_t4_6_2.o ccsdtq_t4_6_3.o ccsdtq_t4_7.o ccsdtq_t4_8.o ccsdtq_t4_8_1.o ccsdtq_t4_8_1_2.o ccsdtq_t4_8_1_2_2.o ccsdtq_t4_8_1_3.o ccsdtq_t4_8_1_4.o ccsdtq_t4_8_2.o ccsdtq_t4_8_2_2.o ccsdtq_t4_8_3.o ccsdtq_t4_8_3_2.o ccsdtq_t4_8_4.o ccsdtq_t4_8_5.o ccsdtq_t4_8_5_1.o ccsdtq_t4_8_6.o ccsdtq_t4_8_6_1.o ccsdtq_t4_8_6_1_2.o ccsdtq_t4_8_6_2.o ccsdtq_t4_9.o ccsdtq_t4_9_1.o ccsdtq_t4_9_1_2.o ccsdtq_t4_9_1_2_2.o ccsdtq_t4_9_1_3.o ccsdtq_t4_9_2.o ccsdtq_t4_9_2_2.o ccsdtq_t4_9_2_2_2.o ccsdtq_t4_9_2_3.o ccsdtq_t4_9_2_4.o ccsdtq_t4_9_3.o ccsdtq_t4_9_3_2.o ccsdtq_t4_9_4.o ccsdtq_t4_9_4_2.o ccsdtq_t4_9_5.o ccsdtq_t4_9_5_2.o ccsdtq_t4_9_6.o ccsdtq_t4_10.o ccsdtq_t4_10_1.o ccsdtq_t4_10_1_2.o ccsdtq_t4_10_2.o ccsdtq_t4_10_2_2.o ccsdtq_t4_10_3.o ccsdtq_t4_10_4.o ccsdtq_t4_11.o ccsdtq_t4_11_1.o ccsdtq_t4_12.o ccsdtq_t4_12_1.o ccsdtq_t4_13.o ccsdtq_t4_13_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq' Making all in ccsdtq_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' Compiling ccsdtq_lambda1.F... Compiling ccsdtq_lambda2.F... Compiling ccsdtq_lambda3.F... Compiling ccsdtq_lambda4.F... Compiling ccsdtq_density1.F... Compiling ccsdtq_lambda1_2.F... Compiling ccsdtq_lambda1_2_2.F... Compiling ccsdtq_lambda1_2_2_2.F... Compiling ccsdtq_lambda1_2_3.F... Compiling ccsdtq_lambda1_2_4.F... Compiling ccsdtq_lambda1_3.F... Compiling ccsdtq_lambda1_3_2.F... Compiling ccsdtq_lambda1_3_3.F... Compiling ccsdtq_lambda1_3_3_1.F... Compiling ccsdtq_lambda1_4.F... Compiling ccsdtq_lambda1_5.F... Compiling ccsdtq_lambda1_5_2.F... Compiling ccsdtq_lambda1_5_2_2.F... Compiling ccsdtq_lambda1_5_2_2_2.F... Compiling ccsdtq_lambda1_5_2_3.F... Compiling ccsdtq_lambda1_5_2_4.F... Compiling ccsdtq_lambda1_5_3.F... Compiling ccsdtq_lambda1_5_3_2.F... Compiling ccsdtq_lambda1_5_4.F... Compiling ccsdtq_lambda1_5_5.F... Compiling ccsdtq_lambda1_5_5_2.F... Compiling ccsdtq_lambda1_5_6.F... Compiling ccsdtq_lambda1_5_6_2.F... Compiling ccsdtq_lambda1_5_7.F... Compiling ccsdtq_lambda1_5_8.F... Compiling ccsdtq_lambda1_6.F... Compiling ccsdtq_lambda1_6_2.F... Compiling ccsdtq_lambda1_6_2_2.F... Compiling ccsdtq_lambda1_6_2_2_2.F... Compiling ccsdtq_lambda1_6_2_3.F... Compiling ccsdtq_lambda1_6_3.F... Compiling ccsdtq_lambda1_6_3_2.F... Compiling ccsdtq_lambda1_6_4.F... Compiling ccsdtq_lambda1_6_4_2.F... Compiling ccsdtq_lambda1_6_5.F... Compiling ccsdtq_lambda1_6_5_2.F... Compiling ccsdtq_lambda1_6_6.F... Compiling ccsdtq_lambda1_6_7.F... Compiling ccsdtq_lambda1_7.F... Compiling ccsdtq_lambda1_7_2.F... Compiling ccsdtq_lambda1_8.F... Compiling ccsdtq_lambda1_8_2.F... Compiling ccsdtq_lambda1_8_2_2.F... Compiling ccsdtq_lambda1_8_2_2_2.F... Compiling ccsdtq_lambda1_8_2_2_2_2.F... Compiling ccsdtq_lambda1_8_2_2_3.F... Compiling ccsdtq_lambda1_8_2_3.F... Compiling ccsdtq_lambda1_8_2_3_2.F... Compiling ccsdtq_lambda1_8_2_4.F... Compiling ccsdtq_lambda1_8_2_5.F... Compiling ccsdtq_lambda1_8_2_5_1.F... Compiling ccsdtq_lambda1_8_3.F... Compiling ccsdtq_lambda1_8_3_2.F... Compiling ccsdtq_lambda1_8_4.F... Compiling ccsdtq_lambda1_8_4_2.F... Compiling ccsdtq_lambda1_8_4_2_1.F... Compiling ccsdtq_lambda1_8_5.F... Compiling ccsdtq_lambda1_8_5_2.F... Compiling ccsdtq_lambda1_8_5_2_1.F... Compiling ccsdtq_lambda1_8_6.F... Compiling ccsdtq_lambda1_8_6_2.F... Compiling ccsdtq_lambda1_8_6_2_2.F... Compiling ccsdtq_lambda1_8_6_3.F... Compiling ccsdtq_lambda1_8_7.F... Compiling ccsdtq_lambda1_8_7_2.F... Compiling ccsdtq_lambda1_8_7_3.F... Compiling ccsdtq_lambda1_8_8.F... Compiling ccsdtq_lambda1_8_9.F... Compiling ccsdtq_lambda1_8_9_2.F... Compiling ccsdtq_lambda1_8_10.F... Compiling ccsdtq_lambda1_8_10_2.F... Compiling ccsdtq_lambda1_8_11.F... Compiling ccsdtq_lambda1_8_12.F... Compiling ccsdtq_lambda1_8_13.F... Compiling ccsdtq_lambda1_8_13_1.F... Compiling ccsdtq_lambda1_8_13_2.F... Compiling ccsdtq_lambda1_8_13_3.F... Compiling ccsdtq_lambda1_8_14.F... Compiling ccsdtq_lambda1_8_14_1.F... Compiling ccsdtq_lambda1_8_14_2.F... Compiling ccsdtq_lambda1_8_14_3.F... Compiling ccsdtq_lambda1_8_15.F... Compiling ccsdtq_lambda1_8_15_1.F... Compiling ccsdtq_lambda1_8_15_2.F... Compiling ccsdtq_lambda1_9.F... Compiling ccsdtq_lambda1_9_2.F... Compiling ccsdtq_lambda1_9_3.F... Compiling ccsdtq_lambda1_9_4.F... Compiling ccsdtq_lambda1_9_5.F... Compiling ccsdtq_lambda1_9_5_1.F... Compiling ccsdtq_lambda1_9_5_2.F... Compiling ccsdtq_lambda1_9_5_3.F... Compiling ccsdtq_lambda1_9_5_4.F... Compiling ccsdtq_lambda1_9_6.F... Compiling ccsdtq_lambda1_9_6_1.F... Compiling ccsdtq_lambda1_9_6_2.F... Compiling ccsdtq_lambda1_9_6_3.F... Compiling ccsdtq_lambda1_9_7.F... Compiling ccsdtq_lambda1_9_7_1.F... Compiling ccsdtq_lambda1_9_7_2.F... Compiling ccsdtq_lambda1_9_8.F... Compiling ccsdtq_lambda1_9_8_1.F... Compiling ccsdtq_lambda1_10.F... Compiling ccsdtq_lambda1_10_1.F... Compiling ccsdtq_lambda1_10_2.F... Compiling ccsdtq_lambda1_10_3.F... Compiling ccsdtq_lambda1_10_4.F... Compiling ccsdtq_lambda1_11.F... Compiling ccsdtq_lambda1_11_1.F... Compiling ccsdtq_lambda1_11_2.F... Compiling ccsdtq_lambda1_11_3.F... Compiling ccsdtq_lambda1_11_4.F... Compiling ccsdtq_lambda1_12.F... Compiling ccsdtq_lambda1_12_1.F... Compiling ccsdtq_lambda1_12_2.F... Compiling ccsdtq_lambda1_12_3.F... Compiling ccsdtq_lambda1_12_4.F... Compiling ccsdtq_lambda1_13.F... Compiling ccsdtq_lambda1_13_1.F... Compiling ccsdtq_lambda1_13_2.F... Compiling ccsdtq_lambda1_13_3.F... Compiling ccsdtq_lambda1_14.F... Compiling ccsdtq_lambda1_14_1.F... Compiling ccsdtq_lambda1_14_2.F... Compiling ccsdtq_lambda1_14_3.F... Compiling ccsdtq_lambda1_14_4.F... Compiling ccsdtq_lambda1_14_4_1.F... Compiling ccsdtq_lambda1_14_4_2.F... Compiling ccsdtq_lambda1_14_4_3.F... Compiling ccsdtq_lambda1_14_4_4.F... Compiling ccsdtq_lambda1_14_4_4_1.F... Compiling ccsdtq_lambda1_14_4_4_2.F... Compiling ccsdtq_lambda1_14_4_4_3.F... Compiling ccsdtq_lambda1_14_4_5.F... Compiling ccsdtq_lambda1_14_4_5_1.F... Compiling ccsdtq_lambda1_14_5.F... Compiling ccsdtq_lambda1_14_5_1.F... Compiling ccsdtq_lambda1_14_6.F... Compiling ccsdtq_lambda1_14_6_1.F... Compiling ccsdtq_lambda1_14_6_2.F... Compiling ccsdtq_lambda1_14_6_3.F... Compiling ccsdtq_lambda1_14_7.F... Compiling ccsdtq_lambda1_14_7_1.F... Compiling ccsdtq_lambda1_14_7_2.F... Compiling ccsdtq_lambda1_14_8.F... Compiling ccsdtq_lambda1_14_8_1.F... Compiling ccsdtq_lambda1_14_9.F... Compiling ccsdtq_lambda1_14_9_1.F... Compiling ccsdtq_lambda1_14_9_2.F... Compiling ccsdtq_lambda1_14_10.F... Compiling ccsdtq_lambda1_14_10_1.F... Compiling ccsdtq_lambda1_14_10_2.F... Compiling ccsdtq_lambda1_14_11.F... Compiling ccsdtq_lambda1_14_11_1.F... Compiling ccsdtq_lambda1_14_12.F... Compiling ccsdtq_lambda1_14_12_1.F... Compiling ccsdtq_lambda1_14_12_1_1.F... Compiling ccsdtq_lambda1_14_12_2.F... Compiling ccsdtq_lambda1_14_12_2_1.F... Compiling ccsdtq_lambda1_14_13.F... Compiling ccsdtq_lambda1_14_13_1.F... Compiling ccsdtq_lambda1_14_13_1_1.F... Compiling ccsdtq_lambda1_15.F... Compiling ccsdtq_lambda1_15_1.F... Compiling ccsdtq_lambda1_15_2.F... Compiling ccsdtq_lambda1_15_3.F... Compiling ccsdtq_lambda1_15_4.F... Compiling ccsdtq_lambda1_15_4_1.F... Compiling ccsdtq_lambda1_15_5.F... Compiling ccsdtq_lambda1_15_5_1.F... Compiling ccsdtq_lambda1_15_5_2.F... Compiling ccsdtq_lambda1_15_6.F... Compiling ccsdtq_lambda1_15_6_1.F... Compiling ccsdtq_lambda1_16.F... Compiling ccsdtq_lambda1_16_1.F... Compiling ccsdtq_lambda1_16_2.F... Compiling ccsdtq_lambda1_16_3.F... Compiling ccsdtq_lambda1_16_4.F... Compiling ccsdtq_lambda1_16_4_1.F... Compiling ccsdtq_lambda1_16_4_2.F... Compiling ccsdtq_lambda1_16_4_3.F... Compiling ccsdtq_lambda1_16_5.F... Compiling ccsdtq_lambda1_16_5_1.F... Compiling ccsdtq_lambda1_16_5_2.F... Compiling ccsdtq_lambda1_16_6.F... Compiling ccsdtq_lambda1_16_6_1.F... Compiling ccsdtq_lambda1_17.F... Compiling ccsdtq_lambda1_17_1.F... Compiling ccsdtq_lambda1_17_2.F... Compiling ccsdtq_lambda1_18.F... Compiling ccsdtq_lambda1_18_1.F... 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Compiling ccsdtq_lambda3_18.F... Compiling ccsdtq_lambda3_18_1.F... Compiling ccsdtq_lambda3_18_2.F... Compiling ccsdtq_lambda3_19.F... Compiling ccsdtq_lambda3_19_1.F... Compiling ccsdtq_lambda3_19_2.F... Compiling ccsdtq_lambda3_19_3.F... Compiling ccsdtq_lambda3_19_3_1.F... Compiling ccsdtq_lambda3_19_4.F... Compiling ccsdtq_lambda3_19_4_1.F... Compiling ccsdtq_lambda3_20.F... Compiling ccsdtq_lambda3_20_1.F... Compiling ccsdtq_lambda3_21.F... Compiling ccsdtq_lambda3_21_1.F... Compiling ccsdtq_lambda3_22.F... Compiling ccsdtq_lambda3_22_1.F... Compiling ccsdtq_lambda3_23.F... Compiling ccsdtq_lambda3_23_1.F... Compiling ccsdtq_lambda3_24.F... Compiling ccsdtq_lambda3_24_1.F... Compiling ccsdtq_lambda3_24_1_1.F... Compiling ccsdtq_lambda3_25.F... Compiling ccsdtq_lambda3_25_1.F... Compiling ccsdtq_lambda3_25_1_1.F... Compiling ccsdtq_lambda3_26.F... Compiling ccsdtq_lambda3_26_1.F... Compiling ccsdtq_lambda3_26_1_1.F... Compiling ccsdtq_lambda3_26_2.F... Compiling ccsdtq_lambda3_26_2_1.F... Compiling ccsdtq_lambda3_27.F... Compiling ccsdtq_lambda3_27_1.F... Compiling ccsdtq_lambda3_27_1_1.F... Compiling ccsdtq_lambda3_27_2.F... Compiling ccsdtq_lambda3_27_2_1.F... Compiling ccsdtq_lambda3_27_2_1_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdtq_lambda1.o ccsdtq_lambda2.o ccsdtq_lambda3.o ccsdtq_lambda4.o ccsdtq_density1.o ccsdtq_lambda1_2.o ccsdtq_lambda1_2_2.o ccsdtq_lambda1_2_2_2.o ccsdtq_lambda1_2_3.o ccsdtq_lambda1_2_4.o ccsdtq_lambda1_3.o ccsdtq_lambda1_3_2.o ccsdtq_lambda1_3_3.o ccsdtq_lambda1_3_3_1.o ccsdtq_lambda1_4.o ccsdtq_lambda1_5.o ccsdtq_lambda1_5_2.o ccsdtq_lambda1_5_2_2.o ccsdtq_lambda1_5_2_2_2.o ccsdtq_lambda1_5_2_3.o ccsdtq_lambda1_5_2_4.o ccsdtq_lambda1_5_3.o ccsdtq_lambda1_5_3_2.o ccsdtq_lambda1_5_4.o ccsdtq_lambda1_5_5.o ccsdtq_lambda1_5_5_2.o ccsdtq_lambda1_5_6.o ccsdtq_lambda1_5_6_2.o ccsdtq_lambda1_5_7.o ccsdtq_lambda1_5_8.o ccsdtq_lambda1_6.o ccsdtq_lambda1_6_2.o ccsdtq_lambda1_6_2_2.o ccsdtq_lambda1_6_2_2_2.o ccsdtq_lambda1_6_2_3.o ccsdtq_lambda1_6_3.o ccsdtq_lambda1_6_3_2.o ccsdtq_lambda1_6_4.o ccsdtq_lambda1_6_4_2.o ccsdtq_lambda1_6_5.o ccsdtq_lambda1_6_5_2.o ccsdtq_lambda1_6_6.o ccsdtq_lambda1_6_7.o ccsdtq_lambda1_7.o ccsdtq_lambda1_7_2.o ccsdtq_lambda1_8.o ccsdtq_lambda1_8_2.o ccsdtq_lambda1_8_2_2.o ccsdtq_lambda1_8_2_2_2.o ccsdtq_lambda1_8_2_2_2_2.o ccsdtq_lambda1_8_2_2_3.o ccsdtq_lambda1_8_2_3.o ccsdtq_lambda1_8_2_3_2.o ccsdtq_lambda1_8_2_4.o ccsdtq_lambda1_8_2_5.o ccsdtq_lambda1_8_2_5_1.o ccsdtq_lambda1_8_3.o ccsdtq_lambda1_8_3_2.o ccsdtq_lambda1_8_4.o ccsdtq_lambda1_8_4_2.o ccsdtq_lambda1_8_4_2_1.o ccsdtq_lambda1_8_5.o ccsdtq_lambda1_8_5_2.o ccsdtq_lambda1_8_5_2_1.o ccsdtq_lambda1_8_6.o ccsdtq_lambda1_8_6_2.o ccsdtq_lambda1_8_6_2_2.o ccsdtq_lambda1_8_6_3.o ccsdtq_lambda1_8_7.o ccsdtq_lambda1_8_7_2.o ccsdtq_lambda1_8_7_3.o ccsdtq_lambda1_8_8.o ccsdtq_lambda1_8_9.o ccsdtq_lambda1_8_9_2.o ccsdtq_lambda1_8_10.o ccsdtq_lambda1_8_10_2.o ccsdtq_lambda1_8_11.o ccsdtq_lambda1_8_12.o ccsdtq_lambda1_8_13.o ccsdtq_lambda1_8_13_1.o ccsdtq_lambda1_8_13_2.o ccsdtq_lambda1_8_13_3.o ccsdtq_lambda1_8_14.o ccsdtq_lambda1_8_14_1.o ccsdtq_lambda1_8_14_2.o ccsdtq_lambda1_8_14_3.o ccsdtq_lambda1_8_15.o ccsdtq_lambda1_8_15_1.o ccsdtq_lambda1_8_15_2.o ccsdtq_lambda1_9.o ccsdtq_lambda1_9_2.o ccsdtq_lambda1_9_3.o ccsdtq_lambda1_9_4.o ccsdtq_lambda1_9_5.o ccsdtq_lambda1_9_5_1.o ccsdtq_lambda1_9_5_2.o ccsdtq_lambda1_9_5_3.o ccsdtq_lambda1_9_5_4.o ccsdtq_lambda1_9_6.o ccsdtq_lambda1_9_6_1.o ccsdtq_lambda1_9_6_2.o ccsdtq_lambda1_9_6_3.o ccsdtq_lambda1_9_7.o ccsdtq_lambda1_9_7_1.o ccsdtq_lambda1_9_7_2.o ccsdtq_lambda1_9_8.o ccsdtq_lambda1_9_8_1.o ccsdtq_lambda1_10.o ccsdtq_lambda1_10_1.o ccsdtq_lambda1_10_2.o ccsdtq_lambda1_10_3.o ccsdtq_lambda1_10_4.o ccsdtq_lambda1_11.o ccsdtq_lambda1_11_1.o ccsdtq_lambda1_11_2.o ccsdtq_lambda1_11_3.o ccsdtq_lambda1_11_4.o ccsdtq_lambda1_12.o ccsdtq_lambda1_12_1.o ccsdtq_lambda1_12_2.o ccsdtq_lambda1_12_3.o ccsdtq_lambda1_12_4.o ccsdtq_lambda1_13.o ccsdtq_lambda1_13_1.o ccsdtq_lambda1_13_2.o ccsdtq_lambda1_13_3.o ccsdtq_lambda1_14.o ccsdtq_lambda1_14_1.o ccsdtq_lambda1_14_2.o ccsdtq_lambda1_14_3.o ccsdtq_lambda1_14_4.o ccsdtq_lambda1_14_4_1.o ccsdtq_lambda1_14_4_2.o ccsdtq_lambda1_14_4_3.o ccsdtq_lambda1_14_4_4.o ccsdtq_lambda1_14_4_4_1.o ccsdtq_lambda1_14_4_4_2.o ccsdtq_lambda1_14_4_4_3.o ccsdtq_lambda1_14_4_5.o ccsdtq_lambda1_14_4_5_1.o ccsdtq_lambda1_14_5.o ccsdtq_lambda1_14_5_1.o ccsdtq_lambda1_14_6.o ccsdtq_lambda1_14_6_1.o ccsdtq_lambda1_14_6_2.o ccsdtq_lambda1_14_6_3.o ccsdtq_lambda1_14_7.o ccsdtq_lambda1_14_7_1.o ccsdtq_lambda1_14_7_2.o ccsdtq_lambda1_14_8.o ccsdtq_lambda1_14_8_1.o ccsdtq_lambda1_14_9.o ccsdtq_lambda1_14_9_1.o ccsdtq_lambda1_14_9_2.o ccsdtq_lambda1_14_10.o ccsdtq_lambda1_14_10_1.o ccsdtq_lambda1_14_10_2.o ccsdtq_lambda1_14_11.o ccsdtq_lambda1_14_11_1.o ccsdtq_lambda1_14_12.o ccsdtq_lambda1_14_12_1.o ccsdtq_lambda1_14_12_1_1.o ccsdtq_lambda1_14_12_2.o ccsdtq_lambda1_14_12_2_1.o ccsdtq_lambda1_14_13.o ccsdtq_lambda1_14_13_1.o ccsdtq_lambda1_14_13_1_1.o ccsdtq_lambda1_15.o ccsdtq_lambda1_15_1.o ccsdtq_lambda1_15_2.o ccsdtq_lambda1_15_3.o ccsdtq_lambda1_15_4.o ccsdtq_lambda1_15_4_1.o ccsdtq_lambda1_15_5.o ccsdtq_lambda1_15_5_1.o ccsdtq_lambda1_15_5_2.o ccsdtq_lambda1_15_6.o ccsdtq_lambda1_15_6_1.o ccsdtq_lambda1_16.o ccsdtq_lambda1_16_1.o ccsdtq_lambda1_16_2.o ccsdtq_lambda1_16_3.o ccsdtq_lambda1_16_4.o ccsdtq_lambda1_16_4_1.o ccsdtq_lambda1_16_4_2.o ccsdtq_lambda1_16_4_3.o ccsdtq_lambda1_16_5.o ccsdtq_lambda1_16_5_1.o ccsdtq_lambda1_16_5_2.o ccsdtq_lambda1_16_6.o ccsdtq_lambda1_16_6_1.o ccsdtq_lambda1_17.o ccsdtq_lambda1_17_1.o ccsdtq_lambda1_17_2.o ccsdtq_lambda1_18.o ccsdtq_lambda1_18_1.o ccsdtq_lambda1_18_1_2.o ccsdtq_lambda1_18_1_3.o ccsdtq_lambda1_18_1_4.o ccsdtq_lambda1_18_2.o ccsdtq_lambda1_18_2_2.o ccsdtq_lambda1_18_3.o ccsdtq_lambda1_18_3_2.o ccsdtq_lambda1_18_4.o ccsdtq_lambda1_18_5.o ccsdtq_lambda1_18_6.o ccsdtq_lambda1_18_6_1.o ccsdtq_lambda1_18_7.o ccsdtq_lambda1_18_7_1.o ccsdtq_lambda1_18_7_1_1.o ccsdtq_lambda1_19.o ccsdtq_lambda1_19_1.o ccsdtq_lambda1_19_2.o ccsdtq_lambda1_20.o ccsdtq_lambda1_20_1.o ccsdtq_lambda1_20_1_2.o ccsdtq_lambda1_20_1_2_2.o ccsdtq_lambda1_20_1_3.o ccsdtq_lambda1_20_1_4.o ccsdtq_lambda1_20_1_4_3.o ccsdtq_lambda1_20_1_5.o ccsdtq_lambda1_20_2.o ccsdtq_lambda1_20_2_2.o ccsdtq_lambda1_20_2_3.o ccsdtq_lambda1_20_2_4.o ccsdtq_lambda1_20_2_4_2.o ccsdtq_lambda1_20_2_5.o ccsdtq_lambda1_20_2_6.o ccsdtq_lambda1_20_2_6_1.o ccsdtq_lambda1_20_3.o ccsdtq_lambda1_20_3_2.o ccsdtq_lambda1_20_3_2_1.o ccsdtq_lambda1_20_4.o ccsdtq_lambda1_20_4_2.o ccsdtq_lambda1_20_4_2_1.o ccsdtq_lambda1_20_5.o ccsdtq_lambda1_20_5_2.o ccsdtq_lambda1_20_5_3.o ccsdtq_lambda1_20_6.o ccsdtq_lambda1_20_6_2.o ccsdtq_lambda1_20_6_3.o ccsdtq_lambda1_20_6_4.o ccsdtq_lambda1_20_7.o ccsdtq_lambda1_20_8.o ccsdtq_lambda1_20_8_2.o ccsdtq_lambda1_20_9.o ccsdtq_lambda1_20_9_2.o ccsdtq_lambda1_20_10.o ccsdtq_lambda1_20_11.o ccsdtq_lambda1_20_11_1.o ccsdtq_lambda1_20_11_2.o ccsdtq_lambda1_20_11_3.o ccsdtq_lambda1_20_12.o ccsdtq_lambda1_20_12_1.o ccsdtq_lambda1_20_12_2.o ccsdtq_lambda1_20_12_3.o ccsdtq_lambda1_20_13.o ccsdtq_lambda1_20_13_1.o ccsdtq_lambda1_20_14.o ccsdtq_lambda1_20_14_1.o ccsdtq_lambda1_20_15.o ccsdtq_lambda1_20_15_1.o ccsdtq_lambda1_20_15_1_3.o ccsdtq_lambda1_20_15_2.o ccsdtq_lambda1_20_15_3.o ccsdtq_lambda1_20_15_3_1.o ccsdtq_lambda1_20_15_3_1_1.o ccsdtq_lambda1_20_16.o ccsdtq_lambda1_20_16_1.o ccsdtq_lambda1_20_16_2.o ccsdtq_lambda1_20_16_2_1.o ccsdtq_lambda1_20_16_2_1_1.o ccsdtq_lambda1_20_17.o ccsdtq_lambda1_20_17_1.o ccsdtq_lambda1_20_18.o ccsdtq_lambda1_20_18_1.o ccsdtq_lambda1_20_18_1_1.o ccsdtq_lambda1_20_19.o ccsdtq_lambda1_20_19_1.o ccsdtq_lambda1_20_19_1_1.o ccsdtq_lambda1_20_20.o ccsdtq_lambda1_20_20_1.o ccsdtq_lambda1_20_20_1_1.o ccsdtq_lambda1_20_21.o ccsdtq_lambda1_20_21_1.o ccsdtq_lambda1_20_21_1_1.o ccsdtq_lambda1_20_22.o ccsdtq_lambda1_20_22_1.o ccsdtq_lambda1_20_22_1_1.o ccsdtq_lambda1_20_23.o ccsdtq_lambda1_20_23_1.o ccsdtq_lambda1_20_23_1_1.o ccsdtq_lambda1_20_24.o ccsdtq_lambda1_20_24_1.o ccsdtq_lambda1_20_24_1_1.o ccsdtq_lambda1_21.o ccsdtq_lambda1_21_1.o ccsdtq_lambda1_21_1_2.o ccsdtq_lambda1_21_1_3.o ccsdtq_lambda1_21_1_4.o ccsdtq_lambda1_21_2.o ccsdtq_lambda1_21_2_2.o ccsdtq_lambda1_21_3.o ccsdtq_lambda1_21_3_2.o ccsdtq_lambda1_21_4.o ccsdtq_lambda1_21_5.o ccsdtq_lambda1_21_5_1.o ccsdtq_lambda1_21_6.o ccsdtq_lambda1_21_6_1.o ccsdtq_lambda1_21_6_1_4.o ccsdtq_lambda1_21_7.o ccsdtq_lambda1_21_7_1.o ccsdtq_lambda1_21_8.o ccsdtq_lambda1_21_8_1.o ccsdtq_lambda1_21_8_1_1.o ccsdtq_lambda1_22.o ccsdtq_lambda1_22_1.o ccsdtq_lambda1_22_1_1.o ccsdtq_lambda1_22_1_2.o ccsdtq_lambda1_22_2.o ccsdtq_lambda1_22_2_1.o ccsdtq_lambda1_23.o ccsdtq_lambda1_23_1.o ccsdtq_lambda1_23_1_1.o ccsdtq_lambda1_23_1_2.o ccsdtq_lambda1_23_2.o ccsdtq_lambda1_23_2_1.o ccsdtq_lambda1_23_3.o ccsdtq_lambda1_23_3_1.o ccsdtq_lambda1_23_3_1_1.o ccsdtq_lambda1_23_3_1_2.o ccsdtq_lambda1_23_4.o ccsdtq_lambda1_23_4_1.o ccsdtq_lambda1_23_4_1_1.o ccsdtq_lambda2_2.o ccsdtq_lambda2_2_2.o ccsdtq_lambda2_3.o ccsdtq_lambda2_3_2.o ccsdtq_lambda2_4.o ccsdtq_lambda2_5.o ccsdtq_lambda2_5_2.o ccsdtq_lambda2_5_2_2.o ccsdtq_lambda2_5_3.o ccsdtq_lambda2_5_4.o ccsdtq_lambda2_6.o ccsdtq_lambda2_6_2.o ccsdtq_lambda2_6_3.o ccsdtq_lambda2_6_4.o ccsdtq_lambda2_6_4_1.o ccsdtq_lambda2_7.o ccsdtq_lambda2_7_2.o ccsdtq_lambda2_7_2_2.o ccsdtq_lambda2_7_3.o ccsdtq_lambda2_8.o ccsdtq_lambda2_8_2.o ccsdtq_lambda2_8_3.o ccsdtq_lambda2_9.o ccsdtq_lambda2_10.o ccsdtq_lambda2_10_2.o ccsdtq_lambda2_10_2_2.o ccsdtq_lambda2_10_2_2_2.o ccsdtq_lambda2_10_2_3.o ccsdtq_lambda2_10_2_4.o ccsdtq_lambda2_10_3.o ccsdtq_lambda2_10_3_2.o ccsdtq_lambda2_10_3_3.o ccsdtq_lambda2_10_4.o ccsdtq_lambda2_10_5.o ccsdtq_lambda2_10_5_2.o ccsdtq_lambda2_10_6.o ccsdtq_lambda2_10_7.o ccsdtq_lambda2_10_8.o ccsdtq_lambda2_11.o ccsdtq_lambda2_11_2.o ccsdtq_lambda2_11_2_2.o ccsdtq_lambda2_11_2_2_2.o ccsdtq_lambda2_11_2_3.o ccsdtq_lambda2_11_3.o ccsdtq_lambda2_11_3_2.o ccsdtq_lambda2_11_4.o ccsdtq_lambda2_11_4_2.o ccsdtq_lambda2_11_5.o ccsdtq_lambda2_11_5_2.o ccsdtq_lambda2_11_6.o ccsdtq_lambda2_11_7.o ccsdtq_lambda2_12.o ccsdtq_lambda2_12_2.o ccsdtq_lambda2_12_3.o ccsdtq_lambda2_12_3_2.o ccsdtq_lambda2_12_4.o ccsdtq_lambda2_12_5.o ccsdtq_lambda2_12_6.o ccsdtq_lambda2_12_6_1.o ccsdtq_lambda2_12_7.o ccsdtq_lambda2_12_7_1.o ccsdtq_lambda2_13.o ccsdtq_lambda2_13_2.o ccsdtq_lambda2_13_2_2.o ccsdtq_lambda2_13_2_2_2.o ccsdtq_lambda2_13_2_2_2_2.o ccsdtq_lambda2_13_2_2_3.o ccsdtq_lambda2_13_2_3.o ccsdtq_lambda2_13_2_3_2.o ccsdtq_lambda2_13_2_4.o ccsdtq_lambda2_13_2_5.o ccsdtq_lambda2_13_2_5_1.o ccsdtq_lambda2_13_3.o ccsdtq_lambda2_13_3_2.o ccsdtq_lambda2_13_4.o ccsdtq_lambda2_13_4_2.o ccsdtq_lambda2_13_4_2_1.o ccsdtq_lambda2_13_5.o ccsdtq_lambda2_13_5_2.o ccsdtq_lambda2_13_5_2_1.o ccsdtq_lambda2_13_6.o ccsdtq_lambda2_13_6_2.o ccsdtq_lambda2_13_6_2_2.o ccsdtq_lambda2_13_6_3.o ccsdtq_lambda2_13_7.o ccsdtq_lambda2_13_7_2.o ccsdtq_lambda2_13_7_3.o ccsdtq_lambda2_13_8.o ccsdtq_lambda2_13_9.o ccsdtq_lambda2_13_9_2.o ccsdtq_lambda2_13_10.o ccsdtq_lambda2_13_10_2.o ccsdtq_lambda2_13_11.o ccsdtq_lambda2_13_12.o ccsdtq_lambda2_13_13.o ccsdtq_lambda2_13_13_1.o ccsdtq_lambda2_13_13_2.o ccsdtq_lambda2_13_13_3.o ccsdtq_lambda2_13_14.o ccsdtq_lambda2_13_14_1.o ccsdtq_lambda2_13_14_2.o ccsdtq_lambda2_13_14_3.o ccsdtq_lambda2_13_15.o ccsdtq_lambda2_13_15_1.o ccsdtq_lambda2_13_15_2.o ccsdtq_lambda2_14.o ccsdtq_lambda2_14_1.o ccsdtq_lambda2_14_2.o ccsdtq_lambda2_14_3.o ccsdtq_lambda2_14_4.o ccsdtq_lambda2_15.o ccsdtq_lambda2_15_1.o ccsdtq_lambda2_15_2.o ccsdtq_lambda2_15_3.o ccsdtq_lambda2_16.o ccsdtq_lambda2_16_1.o ccsdtq_lambda2_16_2.o ccsdtq_lambda2_16_3.o ccsdtq_lambda2_17.o ccsdtq_lambda2_17_1.o ccsdtq_lambda2_17_2.o ccsdtq_lambda2_17_3.o ccsdtq_lambda2_18.o ccsdtq_lambda2_18_1.o ccsdtq_lambda2_18_2.o ccsdtq_lambda2_19.o ccsdtq_lambda2_19_1.o ccsdtq_lambda2_19_2.o ccsdtq_lambda2_19_3.o ccsdtq_lambda2_20.o ccsdtq_lambda2_20_1.o ccsdtq_lambda2_20_2.o ccsdtq_lambda2_20_3.o ccsdtq_lambda2_20_4.o ccsdtq_lambda2_20_4_1.o ccsdtq_lambda2_20_5.o ccsdtq_lambda2_20_5_1.o ccsdtq_lambda2_20_5_2.o ccsdtq_lambda2_20_6.o ccsdtq_lambda2_20_6_1.o ccsdtq_lambda2_21.o ccsdtq_lambda2_21_1.o ccsdtq_lambda2_21_2.o ccsdtq_lambda2_22.o ccsdtq_lambda2_22_1.o ccsdtq_lambda2_22_2.o ccsdtq_lambda2_23.o ccsdtq_lambda2_23_1.o ccsdtq_lambda2_23_1_2.o ccsdtq_lambda2_23_1_3.o ccsdtq_lambda2_23_2.o ccsdtq_lambda2_23_2_2.o ccsdtq_lambda2_23_2_3.o ccsdtq_lambda2_23_2_4.o ccsdtq_lambda2_23_3.o ccsdtq_lambda2_23_3_2.o ccsdtq_lambda2_23_4.o ccsdtq_lambda2_23_4_2.o ccsdtq_lambda2_23_5.o ccsdtq_lambda2_23_5_2.o ccsdtq_lambda2_23_6.o ccsdtq_lambda2_23_7.o ccsdtq_lambda2_23_7_1.o ccsdtq_lambda2_23_7_1_1.o ccsdtq_lambda2_23_8.o ccsdtq_lambda2_23_8_1.o ccsdtq_lambda2_23_8_1_1.o ccsdtq_lambda2_24.o ccsdtq_lambda2_24_1.o ccsdtq_lambda2_24_1_2.o ccsdtq_lambda2_24_2.o ccsdtq_lambda2_24_2_2.o ccsdtq_lambda2_24_3.o ccsdtq_lambda2_24_3_2.o ccsdtq_lambda2_24_4.o ccsdtq_lambda2_25.o ccsdtq_lambda2_25_1.o ccsdtq_lambda2_26.o ccsdtq_lambda2_26_1.o ccsdtq_lambda2_26_2.o ccsdtq_lambda2_26_3.o ccsdtq_lambda2_26_3_1.o ccsdtq_lambda2_26_3_2.o ccsdtq_lambda2_26_3_3.o ccsdtq_lambda2_26_4.o ccsdtq_lambda2_26_4_1.o ccsdtq_lambda2_26_4_2.o ccsdtq_lambda2_26_5.o ccsdtq_lambda2_26_5_1.o ccsdtq_lambda2_27.o ccsdtq_lambda2_27_1.o ccsdtq_lambda2_28.o ccsdtq_lambda2_28_1.o ccsdtq_lambda2_28_1_1.o ccsdtq_lambda2_28_2.o ccsdtq_lambda2_28_2_1.o ccsdtq_lambda2_29.o ccsdtq_lambda2_29_1.o ccsdtq_lambda2_29_1_1.o ccsdtq_lambda2_29_1_2.o ccsdtq_lambda2_29_2.o ccsdtq_lambda2_29_2_1.o ccsdtq_lambda2_30.o ccsdtq_lambda2_30_1.o ccsdtq_lambda2_30_1_1.o ccsdtq_lambda2_30_1_2.o ccsdtq_lambda2_30_2.o ccsdtq_lambda2_30_2_1.o ccsdtq_lambda2_30_3.o ccsdtq_lambda2_30_3_1.o ccsdtq_lambda2_30_3_1_1.o ccsdtq_lambda2_30_3_1_2.o ccsdtq_lambda2_30_4.o ccsdtq_lambda2_30_4_1.o ccsdtq_lambda2_30_4_1_1.o ccsdtq_lambda2_31.o ccsdtq_lambda2_31_1.o ccsdtq_lambda2_31_1_1.o ccsdtq_lambda2_31_2.o ccsdtq_lambda2_31_2_1.o ccsdtq_lambda3_1.o ccsdtq_lambda3_2.o ccsdtq_lambda3_2_2.o ccsdtq_lambda3_3.o ccsdtq_lambda3_3_2.o ccsdtq_lambda3_4.o ccsdtq_lambda3_5.o ccsdtq_lambda3_5_2.o ccsdtq_lambda3_5_2_2.o ccsdtq_lambda3_5_3.o ccsdtq_lambda3_5_4.o ccsdtq_lambda3_6.o ccsdtq_lambda3_6_2.o ccsdtq_lambda3_6_3.o ccsdtq_lambda3_6_4.o ccsdtq_lambda3_6_4_1.o ccsdtq_lambda3_7.o ccsdtq_lambda3_7_2.o ccsdtq_lambda3_7_2_2.o ccsdtq_lambda3_7_3.o ccsdtq_lambda3_8.o ccsdtq_lambda3_8_2.o ccsdtq_lambda3_8_3.o ccsdtq_lambda3_8_4.o ccsdtq_lambda3_8_4_1.o ccsdtq_lambda3_9.o ccsdtq_lambda3_10.o ccsdtq_lambda3_10_2.o ccsdtq_lambda3_10_2_2.o ccsdtq_lambda3_10_2_2_2.o ccsdtq_lambda3_10_2_3.o ccsdtq_lambda3_10_2_4.o ccsdtq_lambda3_10_3.o ccsdtq_lambda3_10_3_2.o ccsdtq_lambda3_10_3_3.o ccsdtq_lambda3_10_4.o ccsdtq_lambda3_10_5.o ccsdtq_lambda3_10_5_2.o ccsdtq_lambda3_10_6.o ccsdtq_lambda3_10_7.o ccsdtq_lambda3_10_8.o ccsdtq_lambda3_11.o ccsdtq_lambda3_11_2.o ccsdtq_lambda3_11_2_2.o ccsdtq_lambda3_11_2_2_2.o ccsdtq_lambda3_11_2_3.o ccsdtq_lambda3_11_3.o ccsdtq_lambda3_11_3_2.o ccsdtq_lambda3_11_4.o ccsdtq_lambda3_11_4_2.o ccsdtq_lambda3_11_5.o ccsdtq_lambda3_11_5_2.o ccsdtq_lambda3_11_6.o ccsdtq_lambda3_11_7.o ccsdtq_lambda3_12.o ccsdtq_lambda3_12_2.o ccsdtq_lambda3_12_3.o ccsdtq_lambda3_12_3_2.o ccsdtq_lambda3_12_4.o ccsdtq_lambda3_12_5.o ccsdtq_lambda3_12_6.o ccsdtq_lambda3_12_6_1.o ccsdtq_lambda3_12_7.o ccsdtq_lambda3_12_7_1.o ccsdtq_lambda3_13.o ccsdtq_lambda3_13_1.o ccsdtq_lambda3_13_2.o ccsdtq_lambda3_13_3.o ccsdtq_lambda3_14.o ccsdtq_lambda3_14_1.o ccsdtq_lambda3_14_2.o ccsdtq_lambda3_15.o ccsdtq_lambda3_15_1.o ccsdtq_lambda3_15_2.o ccsdtq_lambda3_16.o ccsdtq_lambda3_16_1.o ccsdtq_lambda3_16_2.o ccsdtq_lambda3_17.o ccsdtq_lambda3_17_1.o ccsdtq_lambda3_18.o ccsdtq_lambda3_18_1.o ccsdtq_lambda3_18_2.o ccsdtq_lambda3_19.o ccsdtq_lambda3_19_1.o ccsdtq_lambda3_19_2.o ccsdtq_lambda3_19_3.o ccsdtq_lambda3_19_3_1.o ccsdtq_lambda3_19_4.o ccsdtq_lambda3_19_4_1.o ccsdtq_lambda3_20.o ccsdtq_lambda3_20_1.o ccsdtq_lambda3_21.o ccsdtq_lambda3_21_1.o ccsdtq_lambda3_22.o ccsdtq_lambda3_22_1.o ccsdtq_lambda3_23.o ccsdtq_lambda3_23_1.o ccsdtq_lambda3_24.o ccsdtq_lambda3_24_1.o ccsdtq_lambda3_24_1_1.o ccsdtq_lambda3_25.o ccsdtq_lambda3_25_1.o ccsdtq_lambda3_25_1_1.o ccsdtq_lambda3_26.o ccsdtq_lambda3_26_1.o ccsdtq_lambda3_26_1_1.o ccsdtq_lambda3_26_2.o ccsdtq_lambda3_26_2_1.o ccsdtq_lambda3_27.o ccsdtq_lambda3_27_1.o ccsdtq_lambda3_27_1_1.o ccsdtq_lambda3_27_2.o ccsdtq_lambda3_27_2_1.o ccsdtq_lambda3_27_2_1_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_lambda' Making all in eomccsdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' Compiling eomccsdtq_x1.F... Compiling eomccsdtq_x2.F... Compiling eomccsdtq_x3.F... Compiling eomccsdtq_x4.F... Compiling eomccsdtq_y1.F... Compiling eomccsdtq_y2.F... Compiling eomccsdtq_y3.F... Compiling eomccsdtq_y4.F... Compiling eomccsdtq_density1.F... Compiling eomccsdtq_denominator.F... Compiling eomccsdtq_density1_1.F... Compiling eomccsdtq_density1_1_1.F... Compiling eomccsdtq_density1_1_2.F... Compiling eomccsdtq_density1_1_3.F... Compiling eomccsdtq_density1_1_4.F... Compiling eomccsdtq_density1_2.F... Compiling eomccsdtq_density1_2_1.F... Compiling eomccsdtq_density1_2_2.F... Compiling eomccsdtq_density1_2_2_1.F... Compiling eomccsdtq_density1_3.F... Compiling eomccsdtq_density1_3_1.F... Compiling eomccsdtq_density1_3_2.F... Compiling eomccsdtq_density1_3_3.F... Compiling eomccsdtq_density1_3_4.F... Compiling eomccsdtq_density1_3_5.F... Compiling eomccsdtq_density1_3_5_1.F... Compiling eomccsdtq_density1_3_5_2.F... Compiling eomccsdtq_density1_3_5_3.F... Compiling eomccsdtq_density1_3_5_4.F... Compiling eomccsdtq_density1_3_6.F... Compiling eomccsdtq_density1_3_6_1.F... Compiling eomccsdtq_density1_3_6_2.F... Compiling eomccsdtq_density1_3_6_3.F... Compiling eomccsdtq_density1_3_7.F... Compiling eomccsdtq_density1_3_7_1.F... Compiling eomccsdtq_density1_3_7_2.F... Compiling eomccsdtq_density1_3_8.F... Compiling eomccsdtq_density1_3_8_1.F... Compiling eomccsdtq_density1_4.F... Compiling eomccsdtq_density1_4_1.F... Compiling eomccsdtq_density1_4_2.F... Compiling eomccsdtq_density1_4_2_1.F... Compiling eomccsdtq_density1_5.F... Compiling eomccsdtq_density1_5_1.F... Compiling eomccsdtq_density1_5_2.F... Compiling eomccsdtq_density1_5_3.F... Compiling eomccsdtq_density1_5_4.F... Compiling eomccsdtq_density1_5_4_1.F... Compiling eomccsdtq_density1_5_4_2.F... Compiling eomccsdtq_density1_5_4_3.F... Compiling eomccsdtq_density1_5_4_4.F... Compiling eomccsdtq_density1_5_4_5.F... Compiling eomccsdtq_density1_5_4_5_1.F... Compiling eomccsdtq_density1_5_4_5_2.F... Compiling eomccsdtq_density1_5_4_5_3.F... Compiling eomccsdtq_density1_5_4_5_4.F... Compiling eomccsdtq_density1_5_4_6.F... Compiling eomccsdtq_density1_5_4_6_1.F... Compiling eomccsdtq_density1_5_4_6_2.F... Compiling eomccsdtq_density1_5_4_6_3.F... Compiling eomccsdtq_density1_5_4_7.F... Compiling eomccsdtq_density1_5_4_7_1.F... Compiling eomccsdtq_density1_5_4_7_2.F... Compiling eomccsdtq_density1_5_4_8.F... Compiling eomccsdtq_density1_5_4_8_1.F... Compiling eomccsdtq_density1_5_5.F... Compiling eomccsdtq_density1_5_5_1.F... Compiling eomccsdtq_density1_5_5_2.F... Compiling eomccsdtq_density1_5_5_3.F... Compiling eomccsdtq_density1_5_5_4.F... Compiling eomccsdtq_density1_5_6.F... Compiling eomccsdtq_density1_5_6_1.F... Compiling eomccsdtq_density1_5_6_2.F... Compiling eomccsdtq_density1_5_6_3.F... Compiling eomccsdtq_density1_5_6_4.F... Compiling eomccsdtq_density1_5_7.F... Compiling eomccsdtq_density1_5_7_1.F... Compiling eomccsdtq_density1_5_7_2.F... Compiling eomccsdtq_density1_5_7_3.F... Compiling eomccsdtq_density1_5_8.F... Compiling eomccsdtq_density1_5_8_1.F... Compiling eomccsdtq_density1_5_8_2.F... Compiling eomccsdtq_density1_5_9.F... Compiling eomccsdtq_density1_5_9_1.F... Compiling eomccsdtq_density1_5_10.F... Compiling eomccsdtq_density1_5_10_1.F... Compiling eomccsdtq_density1_5_10_2.F... Compiling eomccsdtq_density1_5_10_3.F... Compiling eomccsdtq_density1_5_10_4.F... Compiling eomccsdtq_density1_5_11.F... Compiling eomccsdtq_density1_5_11_1.F... Compiling eomccsdtq_density1_5_11_2.F... Compiling eomccsdtq_density1_5_11_3.F... Compiling eomccsdtq_density1_5_11_4.F... Compiling eomccsdtq_density1_5_11_4_1.F... Compiling eomccsdtq_density1_5_12.F... Compiling eomccsdtq_density1_5_12_1.F... Compiling eomccsdtq_density1_5_12_2.F... Compiling eomccsdtq_density1_5_12_3.F... Compiling eomccsdtq_density1_5_12_3_1.F... Compiling eomccsdtq_density1_5_12_3_2.F... Compiling eomccsdtq_density1_5_12_3_3.F... Compiling eomccsdtq_density1_5_12_4.F... Compiling eomccsdtq_density1_5_12_4_1.F... Compiling eomccsdtq_density1_5_12_4_2.F... Compiling eomccsdtq_density1_5_12_5.F... Compiling eomccsdtq_density1_5_12_5_1.F... Compiling eomccsdtq_density1_5_13.F... Compiling eomccsdtq_density1_5_13_1.F... Compiling eomccsdtq_density1_5_13_2.F... Compiling eomccsdtq_density1_5_14.F... Compiling eomccsdtq_density1_5_14_1.F... Compiling eomccsdtq_density1_5_14_2.F... Compiling eomccsdtq_density1_5_15.F... Compiling eomccsdtq_density1_5_15_1.F... Compiling eomccsdtq_density1_5_16.F... Compiling eomccsdtq_density1_5_16_1.F... Compiling eomccsdtq_density1_5_17.F... Compiling eomccsdtq_density1_5_17_1.F... Compiling eomccsdtq_density1_5_17_1_1.F... Compiling eomccsdtq_density1_5_17_1_2.F... Compiling eomccsdtq_density1_5_17_2.F... Compiling eomccsdtq_density1_5_17_2_1.F... Compiling eomccsdtq_density1_6.F... Compiling eomccsdtq_density1_6_1.F... Compiling eomccsdtq_density1_6_2.F... Compiling eomccsdtq_density1_6_3.F... Compiling eomccsdtq_density1_6_4.F... Compiling eomccsdtq_density1_6_4_1.F... Compiling eomccsdtq_density1_6_4_2.F... Compiling eomccsdtq_density1_6_4_3.F... Compiling eomccsdtq_density1_6_5.F... Compiling eomccsdtq_density1_6_5_1.F... Compiling eomccsdtq_density1_6_5_2.F... Compiling eomccsdtq_density1_6_5_3.F... Compiling eomccsdtq_density1_6_6.F... Compiling eomccsdtq_density1_6_6_1.F... Compiling eomccsdtq_density1_6_6_2.F... Compiling eomccsdtq_density1_6_7.F... Compiling eomccsdtq_density1_6_7_1.F... Compiling eomccsdtq_x2_1.F... Compiling eomccsdtq_x2_1_2.F... Compiling eomccsdtq_x2_1_2_2.F... Compiling eomccsdtq_x2_1_3.F... Compiling eomccsdtq_x2_1_3_2.F... Compiling eomccsdtq_x2_1_4.F... Compiling eomccsdtq_x2_1_4_2.F... Compiling eomccsdtq_x2_1_5.F... Compiling eomccsdtq_x2_1_6.F... Compiling eomccsdtq_x2_2.F... Compiling eomccsdtq_x2_3.F... Compiling eomccsdtq_x2_3_2.F... Compiling eomccsdtq_x2_3_2_2.F... Compiling eomccsdtq_x2_3_3.F... Compiling eomccsdtq_x2_3_4.F... Compiling eomccsdtq_x2_4.F... Compiling eomccsdtq_x2_4_2.F... Compiling eomccsdtq_x2_4_3.F... Compiling eomccsdtq_x2_5.F... Compiling eomccsdtq_x2_5_2.F... Compiling eomccsdtq_x2_5_2_2.F... Compiling eomccsdtq_x2_5_3.F... Compiling eomccsdtq_x2_6.F... Compiling eomccsdtq_x2_6_2.F... Compiling eomccsdtq_x2_7.F... Compiling eomccsdtq_x2_8.F... Compiling eomccsdtq_x2_8_2.F... Compiling eomccsdtq_x2_9.F... Compiling eomccsdtq_x2_9_2.F... Compiling eomccsdtq_x2_10.F... Compiling eomccsdtq_x2_11.F... Compiling eomccsdtq_x2_12.F... Compiling eomccsdtq_x2_12_1.F... Compiling eomccsdtq_x2_12_1_2.F... Compiling eomccsdtq_x2_12_1_2_2.F... Compiling eomccsdtq_x2_12_1_3.F... Compiling eomccsdtq_x2_12_2.F... Compiling eomccsdtq_x2_12_3.F... Compiling eomccsdtq_x2_12_3_2.F... Compiling eomccsdtq_x2_12_4.F... Compiling eomccsdtq_x2_12_4_2.F... Compiling eomccsdtq_x2_12_5.F... Compiling eomccsdtq_x2_12_6.F... Compiling eomccsdtq_x2_12_7.F... 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Compiling eomccsdtq_x4_9.F... Compiling eomccsdtq_x4_9_1.F... Compiling eomccsdtq_x4_9_1_2.F... Compiling eomccsdtq_x4_9_1_2_2.F... Compiling eomccsdtq_x4_9_1_3.F... Compiling eomccsdtq_x4_9_2.F... Compiling eomccsdtq_x4_9_2_2.F... Compiling eomccsdtq_x4_9_2_2_2.F... Compiling eomccsdtq_x4_9_2_3.F... Compiling eomccsdtq_x4_9_2_4.F... Compiling eomccsdtq_x4_9_3.F... Compiling eomccsdtq_x4_9_3_2.F... Compiling eomccsdtq_x4_9_4.F... Compiling eomccsdtq_x4_9_4_2.F... Compiling eomccsdtq_x4_9_5.F... Compiling eomccsdtq_x4_9_5_2.F... Compiling eomccsdtq_x4_9_6.F... Compiling eomccsdtq_x4_9_7.F... Compiling eomccsdtq_x4_9_7_1.F... Compiling eomccsdtq_x4_9_7_1_2.F... Compiling eomccsdtq_x4_9_7_2.F... Compiling eomccsdtq_x4_9_7_3.F... Compiling eomccsdtq_x4_9_7_4.F... Compiling eomccsdtq_x4_9_7_4_1.F... Compiling eomccsdtq_x4_9_8.F... Compiling eomccsdtq_x4_9_8_1.F... Compiling eomccsdtq_x4_9_8_2.F... Compiling eomccsdtq_x4_9_8_3.F... Compiling eomccsdtq_x4_9_8_3_1.F... 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Compiling eomccsdtq_x4_11_6_1.F... Compiling eomccsdtq_x4_12.F... Compiling eomccsdtq_x4_12_1.F... Compiling eomccsdtq_x4_13.F... Compiling eomccsdtq_x4_13_1.F... Compiling eomccsdtq_x4_13_1_2.F... Compiling eomccsdtq_x4_13_1_2_2.F... Compiling eomccsdtq_x4_13_1_3.F... Compiling eomccsdtq_x4_13_2.F... Compiling eomccsdtq_x4_13_3.F... Compiling eomccsdtq_x4_13_3_2.F... Compiling eomccsdtq_x4_13_4.F... Compiling eomccsdtq_x4_13_4_2.F... Compiling eomccsdtq_x4_13_5.F... Compiling eomccsdtq_x4_13_6.F... Compiling eomccsdtq_x4_13_7.F... Compiling eomccsdtq_x4_13_7_1.F... Compiling eomccsdtq_x4_13_7_2.F... Compiling eomccsdtq_x4_13_7_3.F... Compiling eomccsdtq_x4_13_7_3_1.F... Compiling eomccsdtq_x4_13_8.F... Compiling eomccsdtq_x4_13_8_1.F... Compiling eomccsdtq_x4_13_9.F... Compiling eomccsdtq_x4_13_9_1.F... Compiling eomccsdtq_x4_13_10.F... Compiling eomccsdtq_x4_13_10_1.F... Compiling eomccsdtq_x4_14.F... Compiling eomccsdtq_x4_14_1.F... Compiling eomccsdtq_x4_14_1_2.F... 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Compiling eomccsdtq_y3_25.F... Compiling eomccsdtq_y3_25_1.F... Compiling eomccsdtq_y3_25_1_1.F... Compiling eomccsdtq_y3_26.F... Compiling eomccsdtq_y3_26_1.F... Compiling eomccsdtq_y3_26_1_1.F... Compiling eomccsdtq_y3_26_2.F... Compiling eomccsdtq_y3_26_2_1.F... Compiling eomccsdtq_y3_27.F... Compiling eomccsdtq_y3_27_1.F... Compiling eomccsdtq_y3_27_1_1.F... Compiling eomccsdtq_y3_27_2.F... Compiling eomccsdtq_y3_27_2_1.F... Compiling eomccsdtq_y3_27_2_1_1.F... Compiling eomccsdtq_y4_1.F... Compiling eomccsdtq_y4_2.F... Compiling eomccsdtq_y4_2_2.F... Compiling eomccsdtq_y4_3.F... Compiling eomccsdtq_y4_3_2.F... Compiling eomccsdtq_y4_4.F... Compiling eomccsdtq_y4_5.F... Compiling eomccsdtq_y4_5_2.F... Compiling eomccsdtq_y4_5_2_2.F... Compiling eomccsdtq_y4_5_3.F... Compiling eomccsdtq_y4_5_4.F... Compiling eomccsdtq_y4_6.F... Compiling eomccsdtq_y4_6_2.F... Compiling eomccsdtq_y4_6_3.F... Compiling eomccsdtq_y4_6_4.F... Compiling eomccsdtq_y4_6_4_1.F... Compiling eomccsdtq_y4_7.F... Compiling eomccsdtq_y4_7_2.F... Compiling eomccsdtq_y4_7_2_2.F... Compiling eomccsdtq_y4_7_3.F... Compiling eomccsdtq_y4_8.F... Compiling eomccsdtq_y4_8_2.F... Compiling eomccsdtq_y4_8_3.F... Compiling eomccsdtq_y4_8_4.F... Compiling eomccsdtq_y4_8_4_1.F... Compiling eomccsdtq_y4_9.F... Compiling eomccsdtq_y4_10.F... Compiling eomccsdtq_y4_10_1.F... Compiling eomccsdtq_y4_10_2.F... Compiling eomccsdtq_y4_11.F... Compiling eomccsdtq_y4_11_1.F... Compiling eomccsdtq_y4_12.F... Compiling eomccsdtq_y4_12_1.F... Compiling eomccsdtq_y4_13.F... Compiling eomccsdtq_y4_13_1.F... Compiling eomccsdtq_y4_14.F... Compiling eomccsdtq_y4_14_1.F... Compiling eomccsdtq_y4_15.F... Compiling eomccsdtq_y4_15_1.F... Compiling eomccsdtq_y4_15_2.F... Compiling eomccsdtq_y4_15_2_1.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a eomccsdtq_x1.o eomccsdtq_x2.o eomccsdtq_x3.o eomccsdtq_x4.o eomccsdtq_y1.o eomccsdtq_y2.o eomccsdtq_y3.o eomccsdtq_y4.o eomccsdtq_density1.o eomccsdtq_denominator.o eomccsdtq_density1_1.o eomccsdtq_density1_1_1.o eomccsdtq_density1_1_2.o eomccsdtq_density1_1_3.o eomccsdtq_density1_1_4.o eomccsdtq_density1_2.o eomccsdtq_density1_2_1.o eomccsdtq_density1_2_2.o eomccsdtq_density1_2_2_1.o eomccsdtq_density1_3.o eomccsdtq_density1_3_1.o eomccsdtq_density1_3_2.o eomccsdtq_density1_3_3.o eomccsdtq_density1_3_4.o eomccsdtq_density1_3_5.o eomccsdtq_density1_3_5_1.o eomccsdtq_density1_3_5_2.o eomccsdtq_density1_3_5_3.o eomccsdtq_density1_3_5_4.o eomccsdtq_density1_3_6.o eomccsdtq_density1_3_6_1.o eomccsdtq_density1_3_6_2.o eomccsdtq_density1_3_6_3.o eomccsdtq_density1_3_7.o eomccsdtq_density1_3_7_1.o eomccsdtq_density1_3_7_2.o eomccsdtq_density1_3_8.o eomccsdtq_density1_3_8_1.o eomccsdtq_density1_4.o eomccsdtq_density1_4_1.o eomccsdtq_density1_4_2.o eomccsdtq_density1_4_2_1.o eomccsdtq_density1_5.o eomccsdtq_density1_5_1.o eomccsdtq_density1_5_2.o eomccsdtq_density1_5_3.o eomccsdtq_density1_5_4.o eomccsdtq_density1_5_4_1.o eomccsdtq_density1_5_4_2.o eomccsdtq_density1_5_4_3.o eomccsdtq_density1_5_4_4.o eomccsdtq_density1_5_4_5.o eomccsdtq_density1_5_4_5_1.o eomccsdtq_density1_5_4_5_2.o eomccsdtq_density1_5_4_5_3.o eomccsdtq_density1_5_4_5_4.o eomccsdtq_density1_5_4_6.o eomccsdtq_density1_5_4_6_1.o eomccsdtq_density1_5_4_6_2.o eomccsdtq_density1_5_4_6_3.o eomccsdtq_density1_5_4_7.o 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eomccsdtq_density1_5_12_2.o eomccsdtq_density1_5_12_3.o eomccsdtq_density1_5_12_3_1.o eomccsdtq_density1_5_12_3_2.o eomccsdtq_density1_5_12_3_3.o eomccsdtq_density1_5_12_4.o eomccsdtq_density1_5_12_4_1.o eomccsdtq_density1_5_12_4_2.o eomccsdtq_density1_5_12_5.o eomccsdtq_density1_5_12_5_1.o eomccsdtq_density1_5_13.o eomccsdtq_density1_5_13_1.o eomccsdtq_density1_5_13_2.o eomccsdtq_density1_5_14.o eomccsdtq_density1_5_14_1.o eomccsdtq_density1_5_14_2.o eomccsdtq_density1_5_15.o eomccsdtq_density1_5_15_1.o eomccsdtq_density1_5_16.o eomccsdtq_density1_5_16_1.o eomccsdtq_density1_5_17.o eomccsdtq_density1_5_17_1.o eomccsdtq_density1_5_17_1_1.o eomccsdtq_density1_5_17_1_2.o eomccsdtq_density1_5_17_2.o eomccsdtq_density1_5_17_2_1.o eomccsdtq_density1_6.o eomccsdtq_density1_6_1.o eomccsdtq_density1_6_2.o eomccsdtq_density1_6_3.o eomccsdtq_density1_6_4.o eomccsdtq_density1_6_4_1.o eomccsdtq_density1_6_4_2.o eomccsdtq_density1_6_4_3.o eomccsdtq_density1_6_5.o eomccsdtq_density1_6_5_1.o eomccsdtq_density1_6_5_2.o eomccsdtq_density1_6_5_3.o eomccsdtq_density1_6_6.o eomccsdtq_density1_6_6_1.o eomccsdtq_density1_6_6_2.o eomccsdtq_density1_6_7.o eomccsdtq_density1_6_7_1.o eomccsdtq_x2_1.o eomccsdtq_x2_1_2.o eomccsdtq_x2_1_2_2.o eomccsdtq_x2_1_3.o eomccsdtq_x2_1_3_2.o eomccsdtq_x2_1_4.o eomccsdtq_x2_1_4_2.o eomccsdtq_x2_1_5.o eomccsdtq_x2_1_6.o eomccsdtq_x2_2.o eomccsdtq_x2_3.o eomccsdtq_x2_3_2.o eomccsdtq_x2_3_2_2.o eomccsdtq_x2_3_3.o eomccsdtq_x2_3_4.o eomccsdtq_x2_4.o eomccsdtq_x2_4_2.o eomccsdtq_x2_4_3.o eomccsdtq_x2_5.o eomccsdtq_x2_5_2.o eomccsdtq_x2_5_2_2.o eomccsdtq_x2_5_3.o eomccsdtq_x2_6.o eomccsdtq_x2_6_2.o eomccsdtq_x2_7.o eomccsdtq_x2_8.o eomccsdtq_x2_8_2.o eomccsdtq_x2_9.o eomccsdtq_x2_9_2.o eomccsdtq_x2_10.o eomccsdtq_x2_11.o eomccsdtq_x2_12.o eomccsdtq_x2_12_1.o eomccsdtq_x2_12_1_2.o eomccsdtq_x2_12_1_2_2.o eomccsdtq_x2_12_1_3.o eomccsdtq_x2_12_2.o eomccsdtq_x2_12_3.o eomccsdtq_x2_12_3_2.o eomccsdtq_x2_12_4.o eomccsdtq_x2_12_4_2.o eomccsdtq_x2_12_5.o eomccsdtq_x2_12_6.o eomccsdtq_x2_12_7.o eomccsdtq_x2_12_7_1.o eomccsdtq_x2_12_7_2.o eomccsdtq_x2_12_7_3.o eomccsdtq_x2_12_7_3_1.o eomccsdtq_x2_12_8.o eomccsdtq_x2_12_8_1.o eomccsdtq_x2_12_9.o eomccsdtq_x2_12_9_1.o eomccsdtq_x2_12_10.o eomccsdtq_x2_12_10_1.o eomccsdtq_x2_13.o eomccsdtq_x2_13_1.o eomccsdtq_x2_14.o eomccsdtq_x2_14_1.o eomccsdtq_x2_14_1_2.o eomccsdtq_x2_14_2.o eomccsdtq_x2_14_3.o eomccsdtq_x2_14_4.o eomccsdtq_x2_14_4_1.o eomccsdtq_x2_15.o eomccsdtq_x2_15_1.o eomccsdtq_x2_15_2.o eomccsdtq_x2_15_3.o eomccsdtq_x2_15_3_1.o eomccsdtq_x2_16.o eomccsdtq_x2_16_1.o eomccsdtq_x2_16_2.o eomccsdtq_x2_17.o eomccsdtq_x2_17_1.o eomccsdtq_x2_17_2.o eomccsdtq_x2_18.o eomccsdtq_x2_18_1.o eomccsdtq_x2_19.o eomccsdtq_x2_19_1.o eomccsdtq_x3_1.o eomccsdtq_x3_1_2.o eomccsdtq_x3_1_2_2.o eomccsdtq_x3_1_2_2_2.o eomccsdtq_x3_1_2_3.o eomccsdtq_x3_1_3.o eomccsdtq_x3_1_3_2.o eomccsdtq_x3_1_4.o eomccsdtq_x3_1_4_2.o eomccsdtq_x3_1_5.o eomccsdtq_x3_1_5_2.o eomccsdtq_x3_1_6.o eomccsdtq_x3_1_7.o eomccsdtq_x3_2.o eomccsdtq_x3_2_2.o eomccsdtq_x3_2_3.o eomccsdtq_x3_2_3_2.o eomccsdtq_x3_2_4.o eomccsdtq_x3_2_5.o eomccsdtq_x3_3.o eomccsdtq_x3_3_2.o eomccsdtq_x3_3_2_2.o eomccsdtq_x3_3_3.o eomccsdtq_x3_3_4.o eomccsdtq_x3_4.o eomccsdtq_x3_4_2.o eomccsdtq_x3_4_3.o eomccsdtq_x3_5.o eomccsdtq_x3_5_2.o eomccsdtq_x3_5_2_2.o eomccsdtq_x3_5_3.o eomccsdtq_x3_6.o eomccsdtq_x3_6_2.o eomccsdtq_x3_6_3.o eomccsdtq_x3_7.o eomccsdtq_x3_8.o eomccsdtq_x3_8_2.o eomccsdtq_x3_9.o eomccsdtq_x3_9_2.o eomccsdtq_x3_10.o eomccsdtq_x3_11.o eomccsdtq_x3_11_1.o eomccsdtq_x3_11_1_2.o eomccsdtq_x3_11_1_2_2.o eomccsdtq_x3_11_1_3.o eomccsdtq_x3_11_1_4.o eomccsdtq_x3_11_2.o eomccsdtq_x3_11_2_2.o eomccsdtq_x3_11_3.o eomccsdtq_x3_11_3_2.o eomccsdtq_x3_11_4.o eomccsdtq_x3_11_5.o eomccsdtq_x3_11_6.o eomccsdtq_x3_11_6_1.o eomccsdtq_x3_11_7.o eomccsdtq_x3_11_7_1.o eomccsdtq_x3_11_7_2.o eomccsdtq_x3_11_7_3.o eomccsdtq_x3_11_7_3_1.o eomccsdtq_x3_11_7_4.o eomccsdtq_x3_11_7_4_1.o eomccsdtq_x3_11_8.o eomccsdtq_x3_11_8_1.o eomccsdtq_x3_11_9.o eomccsdtq_x3_11_9_1.o eomccsdtq_x3_11_10.o eomccsdtq_x3_11_10_1.o eomccsdtq_x3_12.o eomccsdtq_x3_12_1.o eomccsdtq_x3_12_1_2.o eomccsdtq_x3_12_1_2_2.o eomccsdtq_x3_12_1_3.o eomccsdtq_x3_12_2.o eomccsdtq_x3_12_3.o eomccsdtq_x3_12_3_2.o eomccsdtq_x3_12_4.o eomccsdtq_x3_12_4_2.o eomccsdtq_x3_12_5.o eomccsdtq_x3_12_6.o eomccsdtq_x3_12_7.o eomccsdtq_x3_12_7_1.o eomccsdtq_x3_12_7_2.o eomccsdtq_x3_12_7_3.o eomccsdtq_x3_12_7_3_1.o eomccsdtq_x3_12_8.o eomccsdtq_x3_12_8_1.o eomccsdtq_x3_12_9.o eomccsdtq_x3_12_9_1.o eomccsdtq_x3_12_10.o eomccsdtq_x3_12_10_1.o eomccsdtq_x3_13.o eomccsdtq_x3_13_1.o eomccsdtq_x3_13_1_2.o eomccsdtq_x3_13_1_3.o eomccsdtq_x3_13_1_4.o eomccsdtq_x3_13_2.o eomccsdtq_x3_13_2_2.o eomccsdtq_x3_13_3.o eomccsdtq_x3_13_3_2.o eomccsdtq_x3_13_4.o eomccsdtq_x3_13_5.o eomccsdtq_x3_14.o eomccsdtq_x3_14_1.o eomccsdtq_x3_14_2.o eomccsdtq_x3_14_2_2.o eomccsdtq_x3_14_3.o eomccsdtq_x3_14_4.o eomccsdtq_x3_14_5.o eomccsdtq_x3_14_5_1.o eomccsdtq_x3_15.o 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eomccsdtq_y3_19_4.o eomccsdtq_y3_19_4_1.o eomccsdtq_y3_20.o eomccsdtq_y3_20_1.o eomccsdtq_y3_21.o eomccsdtq_y3_21_1.o eomccsdtq_y3_22.o eomccsdtq_y3_22_1.o eomccsdtq_y3_23.o eomccsdtq_y3_23_1.o eomccsdtq_y3_24.o eomccsdtq_y3_24_1.o eomccsdtq_y3_24_1_1.o eomccsdtq_y3_25.o eomccsdtq_y3_25_1.o eomccsdtq_y3_25_1_1.o eomccsdtq_y3_26.o eomccsdtq_y3_26_1.o eomccsdtq_y3_26_1_1.o eomccsdtq_y3_26_2.o eomccsdtq_y3_26_2_1.o eomccsdtq_y3_27.o eomccsdtq_y3_27_1.o eomccsdtq_y3_27_1_1.o eomccsdtq_y3_27_2.o eomccsdtq_y3_27_2_1.o eomccsdtq_y3_27_2_1_1.o eomccsdtq_y4_1.o eomccsdtq_y4_2.o eomccsdtq_y4_2_2.o eomccsdtq_y4_3.o eomccsdtq_y4_3_2.o eomccsdtq_y4_4.o eomccsdtq_y4_5.o eomccsdtq_y4_5_2.o eomccsdtq_y4_5_2_2.o eomccsdtq_y4_5_3.o eomccsdtq_y4_5_4.o eomccsdtq_y4_6.o eomccsdtq_y4_6_2.o eomccsdtq_y4_6_3.o eomccsdtq_y4_6_4.o eomccsdtq_y4_6_4_1.o eomccsdtq_y4_7.o eomccsdtq_y4_7_2.o eomccsdtq_y4_7_2_2.o eomccsdtq_y4_7_3.o eomccsdtq_y4_8.o eomccsdtq_y4_8_2.o eomccsdtq_y4_8_3.o eomccsdtq_y4_8_4.o eomccsdtq_y4_8_4_1.o eomccsdtq_y4_9.o eomccsdtq_y4_10.o eomccsdtq_y4_10_1.o eomccsdtq_y4_10_2.o eomccsdtq_y4_11.o eomccsdtq_y4_11_1.o eomccsdtq_y4_12.o eomccsdtq_y4_12_1.o eomccsdtq_y4_13.o eomccsdtq_y4_13_1.o eomccsdtq_y4_14.o eomccsdtq_y4_14_1.o eomccsdtq_y4_15.o eomccsdtq_y4_15_1.o eomccsdtq_y4_15_2.o eomccsdtq_y4_15_2_1.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdtq' Making all in ccsdtq_alpha_offdiag make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' Compiling ccsdtq_lr_alpha_10_1_1.F... Compiling ccsdtq_lr_alpha_10_1.F... Compiling ccsdtq_lr_alpha_10_2_1.F... Compiling ccsdtq_lr_alpha_10_2_2.F... Compiling ccsdtq_lr_alpha_10_2.F... Compiling ccsdtq_lr_alpha_10_3_1.F... Compiling ccsdtq_lr_alpha_10_3.F... Compiling ccsdtq_lr_alpha_10_4_1.F... Compiling ccsdtq_lr_alpha_10_4.F... Compiling ccsdtq_lr_alpha_10_5_1.F... Compiling ccsdtq_lr_alpha_10_5_2.F... Compiling ccsdtq_lr_alpha_10_5.F... Compiling ccsdtq_lr_alpha_10_6_1.F... Compiling ccsdtq_lr_alpha_10_6.F... Compiling ccsdtq_lr_alpha_10.F... Compiling ccsdtq_lr_alpha_1_10_1.F... Compiling ccsdtq_lr_alpha_1_10_2.F... Compiling ccsdtq_lr_alpha_1_10_3.F... Compiling ccsdtq_lr_alpha_1_10.F... Compiling ccsdtq_lr_alpha_1_11_1.F... Compiling ccsdtq_lr_alpha_11_1_1.F... Compiling ccsdtq_lr_alpha_1_11_2.F... Compiling ccsdtq_lr_alpha_11_1_2.F... Compiling ccsdtq_lr_alpha_11_1_3.F... Compiling ccsdtq_lr_alpha_1_11.F... Compiling ccsdtq_lr_alpha_11_1.F... Compiling ccsdtq_lr_alpha_1_12_1.F... Compiling ccsdtq_lr_alpha_11_2_1.F... Compiling ccsdtq_lr_alpha_11_2_2.F... Compiling ccsdtq_lr_alpha_11_2_3.F... Compiling ccsdtq_lr_alpha_1_12.F... Compiling ccsdtq_lr_alpha_11_2.F... Compiling ccsdtq_lr_alpha_11_3_1.F... Compiling ccsdtq_lr_alpha_11_3_2.F... Compiling ccsdtq_lr_alpha_11_3.F... Compiling ccsdtq_lr_alpha_11_4_1.F... Compiling ccsdtq_lr_alpha_11_4.F... Compiling ccsdtq_lr_alpha_11_5_1.F... Compiling ccsdtq_lr_alpha_11_5_2.F... Compiling ccsdtq_lr_alpha_11_5.F... Compiling ccsdtq_lr_alpha_11_6_1.F... Compiling ccsdtq_lr_alpha_11_6.F... Compiling ccsdtq_lr_alpha_1_1.F... Compiling ccsdtq_lr_alpha_11.F... Compiling ccsdtq_lr_alpha_12_10_1.F... Compiling ccsdtq_lr_alpha_12_10_2_1.F... Compiling ccsdtq_lr_alpha_12_10_2.F... Compiling ccsdtq_lr_alpha_12_10_3_1.F... Compiling ccsdtq_lr_alpha_12_10_3.F... Compiling ccsdtq_lr_alpha_12_10_4_1.F... Compiling ccsdtq_lr_alpha_12_10_4.F... Compiling ccsdtq_lr_alpha_12_10_5_1.F... Compiling ccsdtq_lr_alpha_12_10_5.F... Compiling ccsdtq_lr_alpha_12_10_6_1.F... Compiling ccsdtq_lr_alpha_12_10_6.F... Compiling ccsdtq_lr_alpha_12_10_7_1.F... Compiling ccsdtq_lr_alpha_12_10_7.F... Compiling ccsdtq_lr_alpha_12_10.F... Compiling ccsdtq_lr_alpha_12_11_1.F... Compiling ccsdtq_lr_alpha_12_11_2.F... Compiling ccsdtq_lr_alpha_12_1_1.F... Compiling ccsdtq_lr_alpha_12_11.F... Compiling ccsdtq_lr_alpha_12_12_1.F... Compiling ccsdtq_lr_alpha_12_12.F... Compiling ccsdtq_lr_alpha_12_13_1.F... Compiling ccsdtq_lr_alpha_12_13.F... Compiling ccsdtq_lr_alpha_12_14_1.F... Compiling ccsdtq_lr_alpha_12_14.F... Compiling ccsdtq_lr_alpha_12_15_1_1.F... Compiling ccsdtq_lr_alpha_12_15_1.F... Compiling ccsdtq_lr_alpha_12_15_2_1.F... Compiling ccsdtq_lr_alpha_12_15_2.F... Compiling ccsdtq_lr_alpha_12_15_3_1.F... Compiling ccsdtq_lr_alpha_12_15_3.F... Compiling ccsdtq_lr_alpha_12_15_4_1.F... Compiling ccsdtq_lr_alpha_12_15_4.F... Compiling ccsdtq_lr_alpha_12_15_5_1.F... Compiling ccsdtq_lr_alpha_12_15_5.F... Compiling ccsdtq_lr_alpha_12_15_6_1.F... Compiling ccsdtq_lr_alpha_12_15_6.F... Compiling ccsdtq_lr_alpha_12_15.F... Compiling ccsdtq_lr_alpha_12_16_1_1.F... Compiling ccsdtq_lr_alpha_12_16_1.F... Compiling ccsdtq_lr_alpha_12_16_2_1.F... Compiling ccsdtq_lr_alpha_12_16_2.F... Compiling ccsdtq_lr_alpha_12_16.F... Compiling ccsdtq_lr_alpha_12_17_1_1.F... Compiling ccsdtq_lr_alpha_12_17_1.F... Compiling ccsdtq_lr_alpha_12_17_2_1.F... Compiling ccsdtq_lr_alpha_12_17_2.F... Compiling ccsdtq_lr_alpha_12_17.F... Compiling ccsdtq_lr_alpha_12_18_1_1.F... Compiling ccsdtq_lr_alpha_12_18_1.F... Compiling ccsdtq_lr_alpha_12_18_2_1.F... Compiling ccsdtq_lr_alpha_12_18_2.F... Compiling ccsdtq_lr_alpha_12_18.F... Compiling ccsdtq_lr_alpha_12_1.F... Compiling ccsdtq_lr_alpha_12_2_1.F... Compiling ccsdtq_lr_alpha_12_2_2.F... Compiling ccsdtq_lr_alpha_12_2.F... Compiling ccsdtq_lr_alpha_12_3_1.F... Compiling ccsdtq_lr_alpha_12_3_2_1.F... Compiling ccsdtq_lr_alpha_12_3_2.F... Compiling ccsdtq_lr_alpha_12_3_3_1.F... Compiling ccsdtq_lr_alpha_12_3_3.F... Compiling ccsdtq_lr_alpha_12_3_4_1.F... Compiling ccsdtq_lr_alpha_12_3_4.F... Compiling ccsdtq_lr_alpha_12_3_5_1.F... Compiling ccsdtq_lr_alpha_12_3_5.F... Compiling ccsdtq_lr_alpha_12_3_6_1.F... Compiling ccsdtq_lr_alpha_12_3_6.F... Compiling ccsdtq_lr_alpha_12_3_7_1.F... Compiling ccsdtq_lr_alpha_12_3_7.F... Compiling ccsdtq_lr_alpha_12_3.F... Compiling ccsdtq_lr_alpha_12_4_1.F... Compiling ccsdtq_lr_alpha_12_4_2.F... Compiling ccsdtq_lr_alpha_12_4.F... Compiling ccsdtq_lr_alpha_12_5_1.F... Compiling ccsdtq_lr_alpha_12_5.F... Compiling ccsdtq_lr_alpha_12_6_1.F... Compiling ccsdtq_lr_alpha_12_6.F... Compiling ccsdtq_lr_alpha_12_7_1.F... Compiling ccsdtq_lr_alpha_12_7.F... Compiling ccsdtq_lr_alpha_12_8_1.F... Compiling ccsdtq_lr_alpha_12_8.F... Compiling ccsdtq_lr_alpha_12_9_1.F... Compiling ccsdtq_lr_alpha_12_9_2.F... Compiling ccsdtq_lr_alpha_12_9.F... Compiling ccsdtq_lr_alpha_1_2.F... Compiling ccsdtq_lr_alpha_12.F... Compiling ccsdtq_lr_alpha_13_10_1.F... Compiling ccsdtq_lr_alpha_13_10.F... Compiling ccsdtq_lr_alpha_13_11_1.F... Compiling ccsdtq_lr_alpha_13_11_2.F... Compiling ccsdtq_lr_alpha_13_11_3.F... Compiling ccsdtq_lr_alpha_13_1_1.F... Compiling ccsdtq_lr_alpha_13_11.F... Compiling ccsdtq_lr_alpha_13_12_1.F... Compiling ccsdtq_lr_alpha_13_12_2.F... Compiling ccsdtq_lr_alpha_13_1_2.F... Compiling ccsdtq_lr_alpha_13_12.F... Compiling ccsdtq_lr_alpha_13_13_1.F... Compiling ccsdtq_lr_alpha_13_1_3.F... Compiling ccsdtq_lr_alpha_13_13.F... Compiling ccsdtq_lr_alpha_13_1_4_1.F... Compiling ccsdtq_lr_alpha_13_14_1.F... Compiling ccsdtq_lr_alpha_13_14_2.F... Compiling ccsdtq_lr_alpha_13_1_4.F... Compiling ccsdtq_lr_alpha_13_14.F... Compiling ccsdtq_lr_alpha_13_1_5_1.F... Compiling ccsdtq_lr_alpha_13_15_1.F... Compiling ccsdtq_lr_alpha_13_1_5_2.F... Compiling ccsdtq_lr_alpha_13_15_2.F... Compiling ccsdtq_lr_alpha_13_1_5_3.F... Compiling ccsdtq_lr_alpha_13_1_5.F... Compiling ccsdtq_lr_alpha_13_15.F... Compiling ccsdtq_lr_alpha_13_1_6_1.F... Compiling ccsdtq_lr_alpha_13_16_1.F... Compiling ccsdtq_lr_alpha_13_1_6.F... Compiling ccsdtq_lr_alpha_13_16.F... Compiling ccsdtq_lr_alpha_13_17_1_1.F... Compiling ccsdtq_lr_alpha_13_1_7_1.F... Compiling ccsdtq_lr_alpha_13_17_1.F... Compiling ccsdtq_lr_alpha_13_17_2_1.F... Compiling ccsdtq_lr_alpha_13_1_7_2.F... Compiling ccsdtq_lr_alpha_13_17_2.F... Compiling ccsdtq_lr_alpha_13_17_3_1.F... Compiling ccsdtq_lr_alpha_13_1_7_3.F... Compiling ccsdtq_lr_alpha_13_17_3.F... Compiling ccsdtq_lr_alpha_13_17_4_1.F... Compiling ccsdtq_lr_alpha_13_17_4.F... Compiling ccsdtq_lr_alpha_13_1_7.F... Compiling ccsdtq_lr_alpha_13_17.F... Compiling ccsdtq_lr_alpha_13_18_1_1.F... Compiling ccsdtq_lr_alpha_13_18_1.F... Compiling ccsdtq_lr_alpha_13_18_2_1.F... Compiling ccsdtq_lr_alpha_13_18_2.F... Compiling ccsdtq_lr_alpha_13_18_3_1.F... Compiling ccsdtq_lr_alpha_13_18_3_2.F... Compiling ccsdtq_lr_alpha_13_18_3_3.F... Compiling ccsdtq_lr_alpha_13_18_3.F... Compiling ccsdtq_lr_alpha_13_18_4_1.F... Compiling ccsdtq_lr_alpha_13_18_4_2.F... Compiling ccsdtq_lr_alpha_13_18_4_3.F... Compiling ccsdtq_lr_alpha_13_18_4.F... Compiling ccsdtq_lr_alpha_13_18.F... Compiling ccsdtq_lr_alpha_13_19_1_1.F... Compiling ccsdtq_lr_alpha_13_19_1.F... Compiling ccsdtq_lr_alpha_13_19_2_1.F... Compiling ccsdtq_lr_alpha_13_19_2.F... Compiling ccsdtq_lr_alpha_13_19.F... Compiling ccsdtq_lr_alpha_13_1.F... Compiling ccsdtq_lr_alpha_13_20_1_1.F... Compiling ccsdtq_lr_alpha_13_20_1.F... Compiling ccsdtq_lr_alpha_13_20_2_1.F... Compiling ccsdtq_lr_alpha_13_20_2.F... Compiling ccsdtq_lr_alpha_13_20.F... Compiling ccsdtq_lr_alpha_13_21_1_1.F... Compiling ccsdtq_lr_alpha_13_21_1.F... Compiling ccsdtq_lr_alpha_13_21_2_1.F... Compiling ccsdtq_lr_alpha_13_21_2.F... Compiling ccsdtq_lr_alpha_13_21_3_1.F... Compiling ccsdtq_lr_alpha_13_21_3.F... Compiling ccsdtq_lr_alpha_13_21_4_1.F... Compiling ccsdtq_lr_alpha_13_21_4.F... 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Compiling ccsdtq_lr_alpha.F... make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ccsdtq_lr_alpha_10_1_1.o ccsdtq_lr_alpha_10_1.o ccsdtq_lr_alpha_10_2_1.o ccsdtq_lr_alpha_10_2_2.o ccsdtq_lr_alpha_10_2.o ccsdtq_lr_alpha_10_3_1.o ccsdtq_lr_alpha_10_3.o ccsdtq_lr_alpha_10_4_1.o ccsdtq_lr_alpha_10_4.o ccsdtq_lr_alpha_10_5_1.o ccsdtq_lr_alpha_10_5_2.o ccsdtq_lr_alpha_10_5.o ccsdtq_lr_alpha_10_6_1.o ccsdtq_lr_alpha_10_6.o ccsdtq_lr_alpha_10.o ccsdtq_lr_alpha_1_10_1.o ccsdtq_lr_alpha_1_10_2.o ccsdtq_lr_alpha_1_10_3.o ccsdtq_lr_alpha_1_10.o ccsdtq_lr_alpha_1_11_1.o ccsdtq_lr_alpha_11_1_1.o 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ccsdtq_lr_alpha_16_15_2.o ccsdtq_lr_alpha_16_15_3_1.o ccsdtq_lr_alpha_16_15_3.o ccsdtq_lr_alpha_16_15_4_1.o ccsdtq_lr_alpha_16_15_4_2.o ccsdtq_lr_alpha_16_15_4.o ccsdtq_lr_alpha_16_15_5_1.o ccsdtq_lr_alpha_16_15_5.o ccsdtq_lr_alpha_16_15_6_1.o ccsdtq_lr_alpha_16_15_6.o ccsdtq_lr_alpha_16_15.o ccsdtq_lr_alpha_16_16_1_1.o ccsdtq_lr_alpha_16_16_1.o ccsdtq_lr_alpha_16_16_2_1.o ccsdtq_lr_alpha_16_16_2.o ccsdtq_lr_alpha_16_16.o ccsdtq_lr_alpha_16_17_1_1.o ccsdtq_lr_alpha_16_17_1.o ccsdtq_lr_alpha_16_17_2_1.o ccsdtq_lr_alpha_16_17_2.o ccsdtq_lr_alpha_16_17.o ccsdtq_lr_alpha_16_18_1_1.o ccsdtq_lr_alpha_16_18_1_2.o ccsdtq_lr_alpha_16_18_1.o ccsdtq_lr_alpha_16_18_2_1.o ccsdtq_lr_alpha_16_18_2.o ccsdtq_lr_alpha_16_18_3_1.o ccsdtq_lr_alpha_16_18_3.o ccsdtq_lr_alpha_16_18_4_1.o ccsdtq_lr_alpha_16_18_4_2.o ccsdtq_lr_alpha_16_18_4.o ccsdtq_lr_alpha_16_18_5_1.o ccsdtq_lr_alpha_16_18_5.o ccsdtq_lr_alpha_16_18_6_1.o ccsdtq_lr_alpha_16_18_6.o ccsdtq_lr_alpha_16_18.o ccsdtq_lr_alpha_16_19_1_1.o ccsdtq_lr_alpha_16_19_1.o ccsdtq_lr_alpha_16_19_2_1.o ccsdtq_lr_alpha_16_19_2.o ccsdtq_lr_alpha_16_19.o ccsdtq_lr_alpha_1_6_1.o ccsdtq_lr_alpha_16_1.o ccsdtq_lr_alpha_16_20_1_1.o ccsdtq_lr_alpha_16_20_1_2.o ccsdtq_lr_alpha_16_20_1.o ccsdtq_lr_alpha_16_20_2_1.o ccsdtq_lr_alpha_16_20_2.o ccsdtq_lr_alpha_16_20_3_1.o ccsdtq_lr_alpha_16_20_3.o ccsdtq_lr_alpha_16_20_4_1.o ccsdtq_lr_alpha_16_20_4_2.o ccsdtq_lr_alpha_16_20_4.o ccsdtq_lr_alpha_16_20_5_1.o ccsdtq_lr_alpha_16_20_5.o ccsdtq_lr_alpha_16_20_6_1.o ccsdtq_lr_alpha_16_20_6.o ccsdtq_lr_alpha_16_20.o ccsdtq_lr_alpha_16_21_1_1.o ccsdtq_lr_alpha_16_21_1.o ccsdtq_lr_alpha_16_21_2_1.o ccsdtq_lr_alpha_16_21_2.o ccsdtq_lr_alpha_16_2_1.o ccsdtq_lr_alpha_16_21.o ccsdtq_lr_alpha_16_2_2.o ccsdtq_lr_alpha_1_6_2.o ccsdtq_lr_alpha_16_2.o ccsdtq_lr_alpha_16_3_1.o ccsdtq_lr_alpha_16_3_2.o ccsdtq_lr_alpha_1_6_3.o ccsdtq_lr_alpha_16_3.o ccsdtq_lr_alpha_16_4_1.o ccsdtq_lr_alpha_1_6_4.o ccsdtq_lr_alpha_16_4.o ccsdtq_lr_alpha_16_5_1.o ccsdtq_lr_alpha_16_5_2.o ccsdtq_lr_alpha_16_5.o ccsdtq_lr_alpha_16_6_1.o ccsdtq_lr_alpha_16_6_2.o ccsdtq_lr_alpha_16_6.o ccsdtq_lr_alpha_16_7_1.o ccsdtq_lr_alpha_16_7.o ccsdtq_lr_alpha_16_8_1.o ccsdtq_lr_alpha_16_8_2.o ccsdtq_lr_alpha_16_8_3_1.o ccsdtq_lr_alpha_16_8_3.o ccsdtq_lr_alpha_16_8_4_1.o ccsdtq_lr_alpha_16_8_4.o ccsdtq_lr_alpha_16_8.o ccsdtq_lr_alpha_16_9_1.o ccsdtq_lr_alpha_16_9_2.o ccsdtq_lr_alpha_16_9.o ccsdtq_lr_alpha_1_6.o ccsdtq_lr_alpha_16.o ccsdtq_lr_alpha_1_7_1.o ccsdtq_lr_alpha_17_1.o ccsdtq_lr_alpha_1_7_2.o ccsdtq_lr_alpha_1_7_3.o ccsdtq_lr_alpha_1_7.o ccsdtq_lr_alpha_17.o ccsdtq_lr_alpha_1_8_1.o ccsdtq_lr_alpha_1_8_2.o ccsdtq_lr_alpha_1_8.o ccsdtq_lr_alpha_1_9_1.o ccsdtq_lr_alpha_1_9.o ccsdtq_lr_alpha_1.o ccsdtq_lr_alpha_2_1.o ccsdtq_lr_alpha_2_2.o ccsdtq_lr_alpha_2_3.o ccsdtq_lr_alpha_2_4.o ccsdtq_lr_alpha_2.o ccsdtq_lr_alpha_3_1_1.o ccsdtq_lr_alpha_3_1_2.o ccsdtq_lr_alpha_3_1.o ccsdtq_lr_alpha_3_2_1.o ccsdtq_lr_alpha_3_2_2.o ccsdtq_lr_alpha_3_2.o ccsdtq_lr_alpha_3_3_1.o ccsdtq_lr_alpha_3_3_2.o ccsdtq_lr_alpha_3_3_3_1.o ccsdtq_lr_alpha_3_3_3.o ccsdtq_lr_alpha_3_3_4_1.o ccsdtq_lr_alpha_3_3_4.o ccsdtq_lr_alpha_3_3.o ccsdtq_lr_alpha_3_4_1.o ccsdtq_lr_alpha_3_4.o ccsdtq_lr_alpha_3_5_1.o ccsdtq_lr_alpha_3_5_2.o ccsdtq_lr_alpha_3_5_3_1.o ccsdtq_lr_alpha_3_5_3.o ccsdtq_lr_alpha_3_5_4_1.o ccsdtq_lr_alpha_3_5_4.o ccsdtq_lr_alpha_3_5.o ccsdtq_lr_alpha_3_6_1.o ccsdtq_lr_alpha_3_6.o ccsdtq_lr_alpha_3_7_1.o ccsdtq_lr_alpha_3_7.o ccsdtq_lr_alpha_3_8_1.o ccsdtq_lr_alpha_3_8.o ccsdtq_lr_alpha_3_9_1_1.o ccsdtq_lr_alpha_3_9_1.o ccsdtq_lr_alpha_3_9_2_1.o ccsdtq_lr_alpha_3_9_2.o ccsdtq_lr_alpha_3_9.o ccsdtq_lr_alpha_3.o ccsdtq_lr_alpha_4_1.o ccsdtq_lr_alpha_4_2.o ccsdtq_lr_alpha_4_3.o ccsdtq_lr_alpha_4.o ccsdtq_lr_alpha_5_10_1.o ccsdtq_lr_alpha_5_10_2.o ccsdtq_lr_alpha_5_10_3.o ccsdtq_lr_alpha_5_10.o ccsdtq_lr_alpha_5_11_1.o ccsdtq_lr_alpha_5_11_2.o ccsdtq_lr_alpha_5_11.o ccsdtq_lr_alpha_5_12_1.o ccsdtq_lr_alpha_5_12.o ccsdtq_lr_alpha_5_1.o ccsdtq_lr_alpha_5_2.o ccsdtq_lr_alpha_5_3.o ccsdtq_lr_alpha_5_4.o ccsdtq_lr_alpha_5_5_1.o ccsdtq_lr_alpha_5_5_2.o ccsdtq_lr_alpha_5_5_3.o ccsdtq_lr_alpha_5_5_4.o ccsdtq_lr_alpha_5_5.o ccsdtq_lr_alpha_5_6_1.o ccsdtq_lr_alpha_5_6_2.o ccsdtq_lr_alpha_5_6_3.o ccsdtq_lr_alpha_5_6_4.o ccsdtq_lr_alpha_5_6.o ccsdtq_lr_alpha_5_7_1.o ccsdtq_lr_alpha_5_7_2.o ccsdtq_lr_alpha_5_7_3.o ccsdtq_lr_alpha_5_7.o ccsdtq_lr_alpha_5_8_1.o ccsdtq_lr_alpha_5_8_2.o ccsdtq_lr_alpha_5_8.o ccsdtq_lr_alpha_5_9_1.o ccsdtq_lr_alpha_5_9.o ccsdtq_lr_alpha_5.o ccsdtq_lr_alpha_6_1.o ccsdtq_lr_alpha_6_2.o ccsdtq_lr_alpha_6_3.o ccsdtq_lr_alpha_6_4.o ccsdtq_lr_alpha_6.o ccsdtq_lr_alpha_7_1.o ccsdtq_lr_alpha_7_2.o ccsdtq_lr_alpha_7_3.o ccsdtq_lr_alpha_7.o ccsdtq_lr_alpha_8_1.o ccsdtq_lr_alpha_8.o ccsdtq_lr_alpha_9_1_1.o ccsdtq_lr_alpha_9_1_2.o ccsdtq_lr_alpha_9_1_3.o ccsdtq_lr_alpha_9_1_4.o ccsdtq_lr_alpha_9_1.o ccsdtq_lr_alpha_9_2_1.o ccsdtq_lr_alpha_9_2_2.o ccsdtq_lr_alpha_9_2_3.o ccsdtq_lr_alpha_9_2_4.o ccsdtq_lr_alpha_9_2.o ccsdtq_lr_alpha_9_3_1.o ccsdtq_lr_alpha_9_3_2.o ccsdtq_lr_alpha_9_3_3.o ccsdtq_lr_alpha_9_3.o ccsdtq_lr_alpha_9_4_1.o ccsdtq_lr_alpha_9_4_2.o ccsdtq_lr_alpha_9_4.o ccsdtq_lr_alpha_9_5_1.o ccsdtq_lr_alpha_9_5.o ccsdtq_lr_alpha_9_6_1.o ccsdtq_lr_alpha_9_6_2.o ccsdtq_lr_alpha_9_6_3.o ccsdtq_lr_alpha_9_6.o ccsdtq_lr_alpha_9_7_1.o ccsdtq_lr_alpha_9_7_2.o ccsdtq_lr_alpha_9_7.o ccsdtq_lr_alpha_9_8_1.o ccsdtq_lr_alpha_9_8.o ccsdtq_lr_alpha_9.o ccsdtq_lr_alpha.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdtq_alpha_offdiag' Making all in response make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a' is up to date. make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' /bin/sh: line 1: bc: command not found Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' Making libraries in bq make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making libraries in mm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' Compiling mm_input.F... Compiling mm_data.F... mm_data.F:574:51: 574 | if(.not. rtdb_get(rtdb,'qmmm:qm_en',mt_dbl,1,eqmtot)) | 1 ...... 704 | if(.not.rtdb_get(rtdb,'neb:ibead',mt_int,1,ibead)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mm_data.F:418:29: 289 | call ga_brdcst(msg_smd,e, | 2 ...... 418 | call ga_brdcst(msg_smd,g, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mm_coords.F... Compiling mm_vdw.F... Compiling mm_bond.F... Compiling mm_bond_coords.F... Compiling mm_link.F... mm_link.F:550:49: 24 | if(.not.rtdb_get(rtdb,'mm:qmlink',mt_log,1,qmlink)) | 2 ...... 550 | if(.not.rtdb_get(rtdb,'mm:cutoff',mt_dbl,1,cut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mm_geom.F... Compiling mm_vdw_coords.F... Compiling mm_bq.F... Compiling mm_neb.F... mm_neb.F:46:52: 46 | if(.not.rtdb_get(rtdb,'neb:nbeads',mt_int,1,nbeads)) | 1 ...... 194 | if(.not.rtdb_get(rtdb,'mm:scnb_adjust',mt_log,1,scnb_adj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_neb.F:143:72: 143 | & call errquit("error getting crdparm "//pname,0 -1) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling mm_cons.F... mm_cons.F:68:29: 35 | if (.not. rtdb_get(irtdb,'qmmm:n_spring',mt_int,1,ns)) | 2 ...... 68 | + ns,dbl_mb(i_as))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' Making libraries in cons make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making libraries in perfm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a' is up to date. make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making libraries in dntmc make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Compiling dntmc_input.F... dntmc_input.F:48:13: 48 | & nspecies)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:58:13: 58 | & nob)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:91:13: 91 | & temp)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dntmc_input.F:101:13: 101 | & mcsteps)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:133:11: 133 | & 0)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:144:13: 144 | & mprnt)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:155:11: 155 | & procrestart)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dntmc_setgeom.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Compiling gibbs.F... gibbs.F:2893:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:2894:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) 2894 | call ga_brdcst(msg_dntmc2+MSGDBL, NDSIG, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:4068:61: 2728 | & , dynamic)) | 2 ...... 4068 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, unew)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:1195:45: 1195 | call ga_put(g_proc,myid+1,myid+1,1,1,util_sgroup_mygroup(),ld) | 1 ...... 2877 | call ga_put(g_pr,ilo,ihi,jlo,jhi,NUMBERAVR,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1199:43: 1199 | call ga_get(g_proc,1,inodesbig,1,1,bigproc,ld) | 1 ...... 2882 | call ga_get(g_pr,ilo,ihi,jlo,jhi,TESTME,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1223:72: 1223 | &ga_destroy(g_proc) failed', GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_3' at (1) gibbs.F:929:9: 929 | & dntSEED(1))) | 1 ...... 1546 | if(.not. rtdb_put(rtdb,'rtdb:stored:state',mt_log,3,ostate)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:4115:72: 4115 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7042] *)_570][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:3322:72: 3322 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7725] *)_546][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1674:72: 1674 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.8471] *)_492][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1914:27: 1914 | IF((CONT2 .eq. 0).or.(new_markov_chain)) then | ^ Warning: 'new_markov_chain' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1462:30: 1462 | logical new_markov_chain | ^ note: 'new_markov_chain' was declared here make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Making libraries in dangchang make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Compiling dc_initialize.F... Compiling dc_setgeom.F... make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Compiling dc_energy.F... dc_energy.F:445:58: 441 | if (.not. rtdb_put(rtdb,'dangchang:energy',mt_dbl,1,UU)) | 2 ...... 445 | if (.not. rtdb_put(rtdb,'dangchang:dipole',mt_dbl,3,DCDIP)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Making libraries in ccca make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' Compiling task_ccca.F... task_ccca.F:69:27: 45 | + call errquit('task_ccca: rtdb_cput failed',0,RTDB_ERR) | 2 ...... 69 | + 'available.',0,RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(10)/INTEGER(8)). task_ccca.F:69:72: 69 | + 'available.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:77:72: 77 | + 'recognized.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:140:56: 99 | call ccca_err(rtdb_put(rtdb,'ccca:restart',MT_LOG,1,.true.), | 2 ...... 140 | call ccca_err(rtdb_put(rtdb,'ccca:stage',MT_INT,1,0),errcode) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccca_utils.F... ccca_utils.F:1476:51: 1469 | if (.not.rtdb_put(rtdb,'ccca:nopen',mt_int,1,nopen)) | 2 ...... 1476 | if (.not.rtdb_put(rtdb,'ccca:therm',mt_log,1,therm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). ccca_utils.F:1013:60: 1011 | if (rtdb_get(rtdb,'ccca:restart',MT_LOG,1,restart)) then | 2 1012 | if (restart) 1013 | $ call ccca_err(rtdb_get(rtdb,'ccca:stage',MT_INT,1,stage),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a task_ccca.o ccca_utils.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' Making libraries in dimqm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' Compiling dimqm_input.F... dimqm_input.F:159:55: 153 | if (.not. rtdb_put(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 159 | if (.not. rtdb_put(rtdb, 'dimqm:alg', mt_int, 1, alg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimpar_input.F... dimpar_input.F:265:38: 259 | $ mt_dbl, 3*iexp, expdata(1:3, 1:iexp))) | 2 ...... 265 | $ mt_int, 1, iexp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_prep.F... dimqm_prep.F:238:33: 235 | $ mt_int, 1, iexp)) | 2 ...... 238 | $ 3*iexp, rawexpdie(1:3,1:iexp))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dimqm_prep.F:68:63: 68 | if(.not. rtdb_get(rtdb,'dimpar:typeindex', mt_int, nDIM, tx)) | 1 ...... 235 | $ mt_int, 1, iexp)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_prep.F:174:52: 162 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polc, 1) | 2 ...... 174 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polr, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_main.F... dimqm_main.F:89:55: 81 | if(.not. rtdb_get(rtdb,'dimpar:coords',mt_dbl,i3,dimxyz)) | 2 ...... 89 | if(.not. rtdb_get(rtdb,'dimqm:lfirst',mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:191:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dimqm:edimqm', MT_DBL, 1, edimqm)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_main.F:220:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 220 | if (.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:244:72: 244 | $ call errquit("dimqm_main: can't free l_muold", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dimqm_main.F:246:72: 246 | $ call errquit("dimqm_main: can't free l_eqmn", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dimqm_polarizability.F... Compiling dimqm_f2d.F... Compiling dimqm_iterative.F... Compiling qmr_real.F... Compiling qmr_complex.F... qmr_complex.F:215:41: 144 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 215 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling matvecReal.F... matvecReal.F:59:62: 58 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 59 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling matvecComplex.F... matvecComplex.F:63:62: 62 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 63 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_EqmE.F... Compiling t2.F... Compiling pphilo.F... Compiling dimqm_fldpot.F... Compiling dimqm_EqmN.F... Compiling dimqm_printAtomicDipoles.F... dimqm_printAtomicDipoles.F:63:23: 60 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 2 ...... 63 | $ elements)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(1)/INTEGER(8)). Compiling dimqm_energy.F... Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... Compiling dimqm_indDipoles.F... Compiling dimqm_printAtoms.F... dimqm_printAtoms.F:39:59: 37 | $ elements)) | 2 38 | $ call errquit('dimqm_print get names failed',1,RTDB_ERR) 39 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/CHARACTER(*)). Compiling dimqm_addop.F... dimqm_addop.F:294:63: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 294 | if(.not.rtdb_get(dimqm_rtdb,'dimpar:coords', mt_dbl, i3, dimxyz)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:333:48: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 333 | $ mt_dbl, i3, muold(:,:,1))) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:351:45: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 351 | $ mt_dbl, i3, muold(:,:,2))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:581:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 581 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:582:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 582 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop.F:598:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 598 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:599:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 599 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dimqm_lclfld.F... dimqm_lclfld.F:199:21: 81 | call ga_zero(g_dipel_i) | 2 ...... 199 | call ga_zero(g_dim_r) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling seeded_qmr_real.F... seeded_qmr_real.F:121:38: 109 | if(.not.rtdb_get(rtdb,'seed:k'//dir, mt_int, 1, k)) | 2 ...... 121 | $ mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmr_seed_real.F... qmr_seed_real.F:188:37: 97 | if(.not.rtdb_put(rtdb,'seed:k'//dir, mt_int, 1, niter)) | 2 ...... 188 | $ mt_dbl, 1,sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling seeded_qmr_real_augment.F... seeded_qmr_real_augment.F:130:62: 120 | if(.not.rtdb_get(rtdb,'seed:k', mt_int, 1, k)) | 2 ...... 130 | if(.not.rtdb_get(rtdb,'seed:sin'//CHAR(j), mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). seeded_qmr_real_augment.F:342:49: 243 | if(.not.rtdb_put(rtdb,'seed:sin'//CHAR(k), mt_dbl, 1, sinn)) | 2 ...... 342 | if(.not.rtdb_put(rtdb,'seed:k', mt_int, 1, k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_tidy.F... Compiling qmr_seed_complex.F... qmr_seed_complex.F:202:36: 199 | $ mt_dcpl, 1, sinn)) | 2 ...... 202 | $ mt_dbl, 1, cosn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). qmr_seed_complex.F:263:41: 154 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 263 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling seeded_qmr_complex.F... seeded_qmr_complex.F:128:37: 116 | if(.not.rtdb_get(rtdb,'seed:k'//dir//'c', mt_int, 1, k)) | 2 ...... 128 | $ mt_dcpl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/INTEGER(8)). seeded_qmr_complex.F:155:34: 154 | call ga_brdcst(msg_dimqm, sinn, mdtob(2), 0) | 2 155 | call ga_brdcst(msg_dimqm, cosn, mdtob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). seeded_qmr_complex.F:292:41: 163 | call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) | 2 ...... 292 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_broadcast.F... dimqm_broadcast.F:33:32: 13 | call ga_brdcst(msg_dimqm, ldimqm, 1, 0) | 2 ...... 33 | call ga_brdcst(msg_dimqm, alg, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling CubicSpline.F... Compiling dim_fock_xc.F... Compiling dim_getv.F... Compiling dim_tabcd.F... Compiling dim_eval_fnl.F... Compiling dim_grid_quadv0.F... dim_grid_quadv0.F:279:24: 111 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 279 | $ dbl_mb(k_dimxyz))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dim_grid_quadv0.F:7:37: 7 | call dim_grid_quadv0_gen(rtdb, g_vdim, 1, 1, .false., 0, 1) | 1 Warning: Rank mismatch in argument 'g_vdim' at (1) (scalar and rank-1) Compiling dim_grid_quadv0a.F... Compiling dim_grid_quadv0b.F... Compiling dimqm_seeding.F... Compiling dimqm_rohf.F... dimqm_rohf.F:136:59: 44 | if(.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 2 ...... 136 | if (.not. rtdb_put(rtdb, 'dimqm:g_dim', mt_int, 1, g_dim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimqm_util.F... dimqm_util.F:73:57: 67 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 73 | if (.not. rtdb_get(rtdb, 'dimpar:ndim', mt_int, 1, ndim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimqm_addop_uhf.F... dimqm_addop_uhf.F:454:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 454 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:455:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 455 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:471:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 471 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:472:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 472 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:979:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 979 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:980:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 980 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:998:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 998 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:999:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 999 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' Making libraries in fcidump make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' Compiling fcidump_inp.F... Compiling task_fcidump.F... task_fcidump.F:78:11: 50 | if (.not. rtdb_get(rtdb, 'fcidump:mos', mt_log, 1, molecorb)) | 2 ...... 78 | $ vir_frozen)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_fcidump.F:88:11: 73 | $ occ_frozen)) | 2 ...... 88 | $ .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fcidump_header.F... fcidump_header.F:104:56: 86 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 2 ...... 104 | if (.not. rtdb_get(rtdb, 'dft:mult', MT_INT, 1,mult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a fcidump_inp.o task_fcidump.o fcidump_header.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' Making libraries in gwmol make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Compiling gwmol.F... Compiling ga_chol_inv_seq.F... Compiling gw_input.F... gw_input.F:64:54: 62 | if (.not.rtdb_put(rtdb, 'gw:evgw0', mt_log, 1, .true.)) | 2 63 | $ call errquit('gw_input: rtdb_put failed', 100, RTDB_ERR) 64 | if (.not.rtdb_put(rtdb, 'gw:eviter', mt_int, 1, eviter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gw_input.F:146:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 146 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:150:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 150 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:162:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 162 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:166:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 166 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_defaults.F... gw_defaults.F:29:46: 20 | ok = rtdb_put(rtdb,'gw:evgw0',mt_log,1,.false.).and. | 2 ...... 29 | & rtdb_put(rtdb,'gw:eviter',mt_int,1,4).and. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling gw_init.F... gw_init.F:83:56: 80 | if (.not.rtdb_get(pars%rtdb,'gw:init',mt_log,1,init)) | 2 ...... 83 | if (.not.rtdb_get(pars%rtdb,'dft:energy',mt_dbl,1,pars%escf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_init.F:325:34: 165 | call int_init(pars%rtdb, 1, cd_bas_han) | 2 ...... 325 | call int_init(pars%rtdb, 2, (/ao_bas_han, cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_finalize.F... Compiling gw_memory.F... Compiling gw_vxc.F... Compiling gw_donewton.F... Compiling gw_cdgw.F... Compiling gw_cdgw_buildin.F... Compiling gw_cdgw_newton.F... gw_cdgw_newton.F:87:28: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 87 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_cdgw_newton.F:173:32: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 173 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling gw_cdgw_graph.F... gw_cdgw_graph.F:200:32: 182 | call ga_brdcst(1038,lvars,2*logs,0) | 2 ...... 200 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling gw_analytic.F... Compiling gw_analytic_newton.F... gw_analytic_newton.F:104:28: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 104 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_analytic_newton.F:204:32: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 204 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling gw_analytic_graph.F... gw_analytic_graph.F:141:32: 128 | call ga_brdcst(1038,converged,logs,0) | 2 ...... 141 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Compiling gw_ri_init.F... gw_ri_init.F:188:72: 188 | offk = k_buf + offset*nij | ^ Warning: 'offset' may be used uninitialized [-Wmaybe-uninitialized] gw_ri_init.F:31:39: 31 | integer g_3ceris,shlo,shhi,offset,ld | ^ note: 'offset' was declared here Compiling gw_invdiag.F... Compiling gw_tools.F... Compiling gw_analytic_wmn.F... Compiling gw_analytic_sigmac.F... Compiling gw_analytic_addrpa.F... Compiling gw_analytic_ovscale.F... Compiling gw_analytic_rpa.F... Compiling gw_analytic_scalxpy.F... Compiling gw_analytic_sigmac_graph.F... Compiling gw_minres.F... gw_minres.F:96:46: 96 | call gw_aprod(OV1,factor,x,y,-4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:98:46: 98 | call gw_aprod(OV1,factor,x,y,-2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:170:47: 170 | call gw_aprod(OV1,factor,v,y,4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:172:47: 172 | call gw_aprod(OV1,factor,v,y,2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:344:28: 291 | call ga_brdcst(1038,istop,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 344 | call ga_brdcst(1038,x,ma_sizeof(mt_dbl,n,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling gw_cdgw_buildrn_graph.F... Compiling gw_cdgw_buildiw.F... Compiling gw_cdgw_buildin_graph.F... Compiling gw_cdgw_buildpi.F... gw_cdgw_buildpi.F:313:17: 313 | if (.not.dorfp) call std2rfp(pi,nri) | ^ Warning: 'dorfp' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildpi.F:40:22: 40 | logical ok,dorfp | ^ note: 'dorfp' was declared here Compiling gw_cdgw_buildrn_minres.F... gw_cdgw_buildrn_minres.F:207:28: 173 | call ga_brdcst(1038,skip,ma_sizeof(mt_log,1,mt_byte),0) | 2 ...... 207 | call ga_brdcst(1038,vector,ma_sizeof(mt_dbl,nri,mt_byte),root) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_cdgw_buildrn_minres.F:257:72: 257 | $ fac*dfactor(ipole,jsp)*factor(ipole,1)**2 | ^ Warning: 'dfactor.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.dim[1].stride' was declared here gw_cdgw_buildrn_minres.F:57:71: Warning: 'dfactor.offset' may be used uninitialized [-Wmaybe-uninitialized] make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a gwmol.o ga_chol_inv_seq.o gw_input.o gw_defaults.o gw_init.o gw_finalize.o gw_memory.o gw_vxc.o gw_donewton.o gw_cdgw.o gw_cdgw_buildin.o gw_cdgw_newton.o gw_cdgw_graph.o gw_analytic.o gw_analytic_newton.o gw_analytic_graph.o gw_ri_init.o gw_invdiag.o gw_tools.o gw_analytic_wmn.o gw_analytic_sigmac.o gw_analytic_addrpa.o gw_analytic_ovscale.o gw_analytic_rpa.o gw_analytic_scalxpy.o gw_analytic_sigmac_graph.o gw_minres.o gw_cdgw_buildrn_graph.o gw_cdgw_buildiw.o gw_cdgw_buildin_graph.o gw_cdgw_buildpi.o gw_cdgw_buildrn_minres.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Making libraries in 64to32blas make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' Compiling yscal.F... Compiling ycopy.F... Compiling ydot.F... Compiling ygemm.F... Compiling ygemv.F... Compiling iyamax.F... Compiling ygesv.F... Compiling ygesvd.F... Compiling yaxpy.F... Compiling yspsvx.F... Compiling yposv.F... Compiling ysyev.F... Compiling ysyevd.F... Compiling yger.F... Compiling yrot.F... Compiling ylaset.F... Compiling yswap.F... Compiling ygebak.F... Compiling ygebal.F... Compiling ynrm2.F... Compiling ylacpy.F... Compiling ylascl.F... Compiling ylange.F... Compiling ytrevc.F... Compiling yhseqr.F... Compiling yorghr.F... Compiling ygehrd.F... Compiling ysterf.F... Compiling ylarnv.F... Compiling ylagtf.F... Compiling ylagts.F... Compiling yasum.F... Compiling ypotri.F... Compiling ypotrf.F... Compiling ysygv.F... Compiling ygeev.F... Compiling ygeevx.F... Compiling ygels.F... Compiling ygelss.F... Compiling ygtsv.F... Compiling ypftrf.F... Compiling ypftri.F... Compiling ytfsm.F... Compiling ygetrf.F... Compiling ygetri.F... Compiling ygetrs.F... Compiling ifily.F... Compiling jscal.F... Compiling jaxpy.F... Compiling jgemm.F... Compiling jheev.F... Compiling jcopy.F... Compiling jdotc.F... Compiling ijamax.F... Compiling jgesvd.F... Compiling jgeev.F... Compiling jgetrs.F... Compiling jgetrf.F... Compiling jlacpy.F... Compiling ysfrk.F... Compiling ysysv.F... Compiling ysytrf.F... Compiling ysytrs.F... Compiling ysymm.F... Compiling ysymv.F... Compiling ysyr2k.F... Compiling ytrmm.F... Compiling ytrtri.F... Compiling jlacp2.F... Compiling ysyrk.F... Compiling jsyrk.F... Compiling jsysv.F... Compiling jsytrf.F... make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' Got lock on /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.lock ar rU /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o ysyevd.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ygels.o ygelss.o ygtsv.o ypftrf.o ypftri.o ytfsm.o ygetrf.o ygetri.o ygetrs.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o jgeev.o jgetrs.o jgetrf.o jlacpy.o ysfrk.o ysysv.o ysytrf.o ysytrs.o ysymm.o ysymv.o ysyr2k.o ytrmm.o ytrtri.o jlacp2.o ysyrk.o jsyrk.o jsysv.o jsytrf.o ar: creating /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a echo /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' /usr/bin/make nwchem.o stubs.o make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** gfortran -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O0 -fno-aggressive-loop-optimizations -I. -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576'" -DNWCHEM_BRANCH="'7.2.2'" -c -o nwchem.o nwchem.F gfortran -m64 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O0 -fno-aggressive-loop-optimizations -I. -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include -I/usr/include/mpich-x86_64 -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_LIBXC -DFLEXIBLAS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576'" -DNWCHEM_BRANCH="'7.2.2'" -c -o stubs.o stubs.F make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' gfortran -L/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 -L/usr/lib64/mpich/lib -L/usr/lib64/mpich/lib -o /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -l64to32 -L/usr/lib64 -lflexiblas -L/usr/lib64 -lflexiblas -L/usr/lib64/mpich/lib -lmpifort -lmpi -lcomex -lopenblas -lm -lscalapack -lopenblas -lpthread -lnwcutil -L/usr/lib64 -lpython3.11 -ldl -lm -L/usr/lib64 -lxcf03 -lxc /bin/rm -f nwchem.o stubs.o + mv ../bin/LINUX64/nwchem ../bin/LINUX64/nwchem_binary_mpich + echo '#!/bin/bash' + echo 'export FLEXIBLAS=openblas-openmp' + echo -n 'nwchem_binary_mpich ' + echo '"$@"' + chmod 755 ../bin/LINUX64/nwchem_mpich + cat ../bin/LINUX64/nwchem_mpich #!/bin/bash export FLEXIBLAS=openblas-openmp nwchem_binary_mpich "$@" + NWCHEM_TARGET=LINUX64 + /usr/bin/make BLAS_SIZE=4 USE_INTERNALBLAS=1 USE_MPI=y clean ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64 test -d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 || mkdir -p /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64 ./util/util_nwchem_version.bash /usr/bin/which: no git in (/usr/lib64/mpich/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin) make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src' rm -f core *.o *.a *.trace Making clean in tools make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools' Not configured make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools' Making clean in include make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' make[1]: 'clean' is up to date. make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/include' Making clean in basis make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testbasis testbasis.o libcheck if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis' Making clean in geom make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/geom' Making clean in inp make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o test hnd_rdfree.o hnd_rdfree if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/inp' Making clean in input make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ] ; then \ echo input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/input' Making clean in pstat make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/pstat' Making clean in rtdb make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Making clean in hdbm make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o words.o if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb/hdbm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test test.o rtdbtest rtdbtest.o interact context davetest context.o davetest.o interact.o rtdb_par_f2c.o cntx.o cntx testgr.o testgr if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rtdb' Making clean in task make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ] ; then \ echo task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o task_gwmol.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwctask.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task' Making clean in symmetry make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_op_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/symmetry' Making clean in util make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' bash: line 1: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/install/bin/ga-config: No such file or directory Making clean in md5 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt ftest mddriver if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util/md5' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testsolve testecce if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ] ; then \ echo output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ma_solve.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o util_blasthreads.o util_gpu_affinity.o util_scalapack.o util_norm2.o util_dpofa.o util_dgedi.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/util' Making clean in peigs make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' (cd ./src/c; /usr/bin/make clean) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' bash: line 1: /src/tools/guess-mpidefs: No such file or directory rm -f *.o maxx.f F*.f rm -f *.c.* make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/c' (cd ./src/f77; /usr/bin/make clean) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' bash: line 1: /src/tools/guess-mpidefs: No such file or directory rm -f *.o rm -f *.s rm -f dgetavec.f dlaebz2.f \ dstebz3.f \ neblw2.f sneblw2.f sstebz3.f rm -f F*.f make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/src/f77' (cd ./comm; /usr/bin/make clean) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' bash: line 1: /src/tools/guess-mpidefs: No such file or directory rm -f *.o rm -f mxbrod.f rm -f mxcombv1.f rm -f mxsubs.f rm -f sum.f peigs_dgop.f make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/comm' (cd ./ctof; /usr/bin/make clean) make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' bash: line 1: /src/tools/guess-mpidefs: No such file or directory rm -f *.o make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs/ctof' make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/peigs' Making clean in perfm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making clean in bq make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making clean in cons make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making clean in NWints make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Making clean in simint make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making clean in module make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/module' Making clean in source make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint' Making clean in api make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/api' Making clean in int make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt showxyz showxyz.o int_order.o int_order if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/int' Making clean in auxil make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt spherical spherical.o testnat testnat.o if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/auxil' Making clean in ints_sp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ints_sp' Making clean in deriv make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/deriv' Making clean in texas make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/texas' Making clean in ecp make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test_drive if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/ecp' Making clean in hondo make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/hondo' Making clean in rel make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/rel' Making clean in dk make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/dk' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ] ; then \ echo intgrl_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints' Making clean in atomscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a ] ; then \ echo orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libguess.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/atomscf' Making clean in ddscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Making clean in fast make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt solver testcheby testcarttrans testfmm if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ] ; then \ echo xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf/fast' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ] ; then \ echo comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o cosmo_fock.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ddscf' Making clean in gradients make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a ] ; then \ echo gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgradients.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gradients' Making clean in moints make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a ] ; then \ echo atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmoints.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/moints' Making clean in nwdft make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Making clean in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/include' Making clean in input_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/input_dft' Making clean in scf_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft' Making clean in scf_dft_cg make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft_cg' Making clean in so_dft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/so_dft' Making clean in coulomb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/coulomb' Making clean in xc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' cat: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc' Making clean in util make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/util' Making clean in grid make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid' Making clean in dftgrad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/dftgrad' Making clean in lr_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft' Making clean in lr_tddft_grad make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft_grad' Making clean in zora make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/zora' Making clean in spec make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/spec' Making clean in rt_tddft make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Making clean in matutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/matutils' Making clean in rtutils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/rtutils' Making clean in input make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/input' Making clean in init make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/init' Making clean in canorg make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/canorg' Making clean in propagators make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/propagators' Making clean in closedshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/closedshell' Making clean in openshell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/rt_tddft' Making clean in libxc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc' Making clean in x2c make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_scf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/x2c' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ] ; then \ echo nwdft.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft' Making clean in rimp2 make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a ] ; then \ echo rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/librimp2.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2' Making clean in stepper make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a ] ; then \ echo stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libstepper.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/stepper' Making clean in driver make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a ] ; then \ echo opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdriver.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/driver' Making clean in optim make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' Making clean in deloc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/deloc' Making clean in mepgs make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/mepgs' Making clean in tropt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/tropt' Making clean in neb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo neb_input.o neb_drv.o neb_utils.o bead_list.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/neb' Making clean in string make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim/string' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/optim' Making clean in cphf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a ] ; then \ echo cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcphf.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cphf' Making clean in ccsd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a ] ; then \ echo ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccsd.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccsd' Making clean in vib make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a ] ; then \ echo vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvib.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vib' Making clean in mcscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Making clean in detci make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ] ; then \ echo detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf/detci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ] ; then \ echo mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mcscf' Making clean in prepar make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a ] ; then \ echo prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libprepar.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/prepar' Making clean in esp make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a ] ; then \ echo esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libesp.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/esp' Making clean in hessian make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Making clean in analytic make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' Making clean in dft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ] ; then \ echo hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian/analytic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ] ; then \ echo hess_blas.o hess_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/hessian' Making clean in selci make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt conf htoa if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a ] ; then \ echo iprtri.o prtri.o selci_icopy.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libselci.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/selci' Making clean in dplot make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a ] ; then \ echo dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdplot.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dplot' Making clean in mp2_grad make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a ] ; then \ echo mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmp2.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mp2_grad' Making clean in qhop make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a ] ; then \ echo qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqhop.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qhop' Making clean in property make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a ] ; then \ echo hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o ibo_localization.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libproperty.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/property' Making clean in solvation make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a ] ; then \ echo mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_lebedev.o cosmo_fibonacci.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o hnd_cosmo_lib.o hnd_coschg.o cosmo_thomson.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libsolvation.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/solvation' Making clean in nwpw make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Making clean in nwpwlib make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making clean in Parallel make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Parallel' Making clean in D1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D1dB' Making clean in D3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB' Making clean in Pneb make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/Pneb' Making clean in K1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/K1dB' Making clean in C1dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo C1dB.o C1dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C1dB' Making clean in C3dB make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/C3dB' Making clean in DMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/DMatrix' Making clean in CMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/CMatrix' Making clean in TMatrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TMatrix' Making clean in control make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/control' Making clean in lattice make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/lattice' Making clean in io make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/io' Making clean in ion make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making clean in shake make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ion' Making clean in pseudopotential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Making clean in paw_atom make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/pseudopotential' Making clean in utilities make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making clean in paw_utilities make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities' Making clean in unitcell make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/unitcell' Making clean in brillouin_zone make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/brillouin_zone' Making clean in fractional make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/fractional' Making clean in linesearch make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/linesearch' Making clean in timing make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/timing' Making clean in ewald make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/ewald' Making clean in thermostats make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/thermostats' Making clean in MetaDynamics make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/MetaDynamics' Making clean in TAMD make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/TAMD' Making clean in FMM make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/FMM' Making clean in md_xs make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making clean in FEFF6L make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/md_xs' Making clean in nwpwxc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib' Making clean in libraryps make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_library.o nwpw_libfile.o nwpw_set_library.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps' Making clean in pspw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Making clean in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making clean in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psi' Making clean in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/electron' Making clean in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ke' Making clean in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/coulomb' Making clean in exchange-correlation make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making clean in vdw-DF make[5]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/exchange-correlation' Making clean in sic make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/sic' Making clean in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/hfx' Making clean in ion make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/ion' Making clean in psp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/psp' Making clean in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/Grsm_list' Making clean in aorbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/aorbs' Making clean in truncating_function make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lib' Making clean in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/kbpp' Making clean in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/makepsi' Making clean in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cpsd' Making clean in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cgsd' Making clean in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making clean in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/analysis' Making clean in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/cell_optimize' Making clean in qmmm make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making clean in pspw_LJ make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_LJ' Making clean in pspw_Q make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Q' Making clean in pspw_Pair make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/pspw_Pair' Making clean in mmq make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/qmmm' Making clean in charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_charge.o pspw_efield.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/charge' Making clean in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/dplot' Making clean in lcao make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/pspw' Making clean in paw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Making clean in paw_geometry make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_geometry' Making clean in paw_ma make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ma' Making clean in paw_utils make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_utils' Making clean in paw_basis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_basis' Making clean in paw_proj make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_proj' Making clean in paw_matrix make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_matrix' Making clean in paw_ovlp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ovlp' Making clean in paw_comp_charge make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_charge' Making clean in paw_special_functions make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_special_functions' Making clean in paw_gaunt make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_gaunt' Making clean in paw_kinetic make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_kinetic' Making clean in paw_vloc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_vloc' Making clean in paw_ion_potential make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_ion_potential' Making clean in paw_core make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_core' Making clean in paw_hartree make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_hartree' Making clean in paw_comp_pot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_comp_pot' Making clean in paw_mult make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_mult' Making clean in paw_nonlocal make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_nonlocal' Making clean in paw_density make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_density' Making clean in paw_xc make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_xc' Making clean in paw_force make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_force' Making clean in paw_Grsm_list make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_Grsm_list' Making clean in paw_psi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/paw_psi' Making clean in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cpsd' Making clean in cgsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cgsd' Making clean in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt rm: cannot remove 'paw_core': Is a directory if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[2]: [../../config/makelib.h:309: clean] Error 1 (ignored) make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/paw' Making clean in band make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making clean in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/minimizer' Making clean in structure make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/structure' Making clean in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cpsd' Making clean in cell_optimize make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/cell_optimize' Making clean in kbpp make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/kbpp' Making clean in makepsi make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/makepsi' Making clean in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making clean in cpsp make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/cpsp' Making clean in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/ke' Making clean in coulomb make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/coulomb' Making clean in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/electron' Making clean in psi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/psi' Making clean in hfx make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/hfx' Making clean in Grsm_list make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/Grsm_list' Making clean in borbs make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/lib' Making clean in dplot make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/dplot' Making clean in analysis make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' Making clean in APC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_APC.o band_atom_Efield.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band/analysis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ] ; then \ echo band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/band' Making clean in ofpw make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' Making clean in minimizer make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/minimizer' Making clean in cpsd make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/cpsd' Making clean in lib make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' Making clean in chi make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/chi' Making clean in electron make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/electron' Making clean in ke make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/ke' Making clean in WGC make[4]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw/lib' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/ofpw' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a ] ; then \ echo nwpw_input.o nwpw_default.o nwpw_vectors_input.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpw.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw' Making clean in fft make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' Making clean in pfft1.0 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making clean in fftpack make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ] ; then \ echo dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/fftpack' Making clean in pfft make[3]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[3]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfft1.0' Making clean in pfftwrap make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft/pfftwrap' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fft' Making clean in python make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a ] ; then \ echo python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwpython.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/python' Making clean in analyz make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a ] ; then \ echo ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libanalyze.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/analyz' Making clean in nwmd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a ] ; then \ echo nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libnwmd.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwmd' Making clean in cafe make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a ] ; then \ echo cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcafe.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cafe' Making clean in space make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a ] ; then \ echo sp_init.o sp_main.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libspace.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/space' Making clean in drdy make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a ] ; then \ echo atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdrdy.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/drdy' Making clean in vscf make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a ] ; then \ echo vscf_input.o vscf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libvscf.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/vscf' Making clean in qmmm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a ] ; then \ echo qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmmm.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm' Making clean in qmd make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a ] ; then \ echo qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o qmd_ext.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libqmd.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd' Making clean in etrans make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a ] ; then \ echo et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libetrans.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/etrans' Making clean in tce make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' Making clean in include make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/ ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/include' Making clean in diis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis' Making clean in diis2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/diis2' Making clean in gradients make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/gradients' Making clean in ccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd' Making clean in ccsd_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_lambda' Making clean in eomccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd' Making clean in ccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_t' Making clean in cr-eomccsd_t make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr-eomccsd_t' Making clean in lrh make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lrh' Making clean in emb make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/emb' Making clean in ccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccd' Making clean in lccd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccd' Making clean in lccsd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/lccsd' Making clean in qcisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/qcisd' Making clean in cc3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cc3' Making clean in mbpt1 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt1' Making clean in mbpt2 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt2' Making clean in mbpt3 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt3' Making clean in mbpt4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/mbpt4' Making clean in cis make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cis' Making clean in cisd make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisd' Making clean in cisdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdt' Making clean in cisdtq make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cisdtq' Making clean in ccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_act' Making clean in eomccsd_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsd_act' Making clean in cr_eomccsd_t_act make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/cr_eomccsd_t_act' Making clean in sort make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/sort' Making clean in ducc make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ducc' Making clean in ucc4 make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ucc4' Making clean in ccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt' Making clean in ccsdt_lambda make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsdt_lambda' Making clean in eomccsdt make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/eomccsdt' Making clean in ccsd_alpha make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_alpha' Making clean in ccsd_beta make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_beta' Making clean in ccsd_yr make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/ccsd_yr' Making clean in response make[2]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[2]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce/response' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ] ; then \ echo tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tce' Making clean in bq make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libbq.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/bq' Making clean in mm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a ] ; then \ echo mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libmm.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/mm' Making clean in cons make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libcons.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/cons' Making clean in perfm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x -I/usr/include/mpich-x86_64 -I/usr/lib64/gfortran/modules/mpich -I/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/install/include > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libperfm.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/perfm' Making clean in dntmc make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a ] ; then \ echo dntmc_input.o dntmc_setgeom.o gibbs.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdntmc.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dntmc' Making clean in dangchang make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a ] ; then \ echo dc_initialize.o dc_setgeom.o dc_energy.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdangchang.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dangchang' Making clean in ccca make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a ] ; then \ echo task_ccca.o ccca_utils.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libccca.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/ccca' Making clean in dimqm make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a ] ; then \ echo dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libdimqm.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/dimqm' Making clean in fcidump make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a ] ; then \ echo fcidump_inp.o task_fcidump.o fcidump_header.o | xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libfcidump.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/fcidump' Making clean in gwmol make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a ] ; then \ echo gwmol.o ga_chol_inv_seq.o gw_input.o gw_defaults.o gw_init.o gw_finalize.o gw_memory.o gw_vxc.o gw_donewton.o gw_cdgw.o gw_cdgw_buildin.o gw_cdgw_newton.o gw_cdgw_graph.o gw_analytic.o gw_analytic_newton.o gw_analytic_graph.o gw_ri_init.o gw_invdiag.o gw_tools.o gw_analytic_wmn.o gw_analytic_sigmac.o gw_analytic_addrpa.o gw_analytic_ovscale.o gw_analytic_rpa.o gw_analytic_scalxpy.o gw_analytic_sigmac_graph.o gw_minres.o gw_cdgw_buildrn_graph.o gw_cdgw_buildiw.o gw_cdgw_buildin_graph.o gw_cdgw_buildpi.o gw_cdgw_buildrn_minres.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/libgwmol.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/gwmol' Making clean in 64to32blas make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:300: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:300: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:300: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:300: warning: ignoring old recipe for target '32_to_64' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a ] ; then \ echo yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o ysyevd.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ygels.o ygelss.o ygtsv.o ypftrf.o ypftri.o ytfsm.o ygetrf.o ygetri.o ygetrs.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o jgeev.o jgetrs.o jgetrf.o jlacpy.o ysfrk.o ysysv.o ysytrf.o ysytrs.o ysymm.o ysymv.o ysyr2k.o ytrmm.o ytrtri.o jlacp2.o ysyrk.o jsyrk.o jsysv.o jsytrf.o| xargs -n 300 ar d /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a ; \ if [ `ar t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/lib/LINUX64/lib64to32.a ; \ fi ; \ fi ; make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/64to32blas' Making clean in config make[1]: Entering directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' /bin/rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/depend.x depend.o make[1]: Leaving directory '/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config' + cd .. + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/3024772/exe ']' +++ /usr/bin/readlink /proc/3024772/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/mpich-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + rm -f make.sh settings.sh + cat + cat + cat + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.e056w4 + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 '!=' / ']' + rm -rf /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 ++ dirname /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 + cd nwchem-74936fb92aec6990ce48bf334747215813684576 + mkdir -p /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/etc ++ find /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 -name '*.bak' + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/D3dB/hilbert.c.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/paw_utilities/nwpw_gaunt.F.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/utilities/nwpw_born.F.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps/HGH_LDA/C.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps/paw_default/Al.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps/paw_default/JUNK/Yb.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps/paw_default/JUNK/Al.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/web/doc/user.4.6/user.html.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/nwpw/nwpwlib/D3dB/hilbert.c.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/nwpw/nwpwlib/utilities/paw_utilities/nwpw_gaunt.F.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/nwpw/nwpwlib/utilities/nwpw_born.F.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/nwpw/libraryps/HGH_LDA/C.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/nwpw/libraryps/paw_default/Al.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/nwpw/libraryps/paw_default/JUNK/Yb.bak + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.bak"` + rm -f /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/nwpw/libraryps/paw_default/JUNK/Al.bak + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/651639/exe ']' +++ /usr/bin/readlink /proc/651639/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/openmpi-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export OMPI_MCA_rmaps_base_oversubscribe=1 + OMPI_MCA_rmaps_base_oversubscribe=1 + mkdir -p /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64//usr/lib64/openmpi/bin + install -p -m 755 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_binary_openmpi /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64//usr/lib64/openmpi/bin + install -p -m 755 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_openmpi /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64//usr/lib64/openmpi/bin + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/651639/exe ']' +++ /usr/bin/readlink /proc/651639/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/openmpi-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/651639/exe ']' +++ /usr/bin/readlink /proc/651639/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/mpich-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export 'CFLAGS= -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + CFLAGS=' -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + mkdir -p /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64//usr/lib64/mpich/bin + install -p -m 755 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_binary_mpich /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64//usr/lib64/mpich/bin + install -p -m 755 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64//usr/lib64/mpich/bin + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/651639/exe ']' +++ /usr/bin/readlink /proc/651639/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/mpich-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + mkdir -p /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem + cp -rp /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/data/amber_q /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/data/amber_s /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/data/amber_t /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/data/amber_u /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/data/amber_x /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/data/charmm_s /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/data/charmm_x /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/data/solvents /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem + cp -rp /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/basis/libraries /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem + cp -rp /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/libraryps /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem + rm -f /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/MakeFile /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/nwpw_inp.fh /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/nwpw_libfile.F /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/nwpw_library.F /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/nwpw_set_library.F /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/dependencies /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/include_stamp + install -p -m 444 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/compile_mpich.sh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/compile_openmpi.sh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/nwchem.csh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/nwchem.sh /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem + install -p -m 444 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/nwchemrc /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem + install -p -m 444 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/nwchemrc /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/etc + mkdir -p /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/etc/profile.d + install -p -m 444 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/nwchem.csh /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/nwchem.sh /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/etc/profile.d ++ find /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 -name '*.log' + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/make_64_to_32_mpich.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/make_nwchem_config_openmpi.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/examples/dirdyvtst/oh3/oh3tr5.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/examples/dirdyvtst/oh3/oh3tr3.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/examples/dirdyvtst/oh3/oh3tr4.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/examples/dirdyvtst/oh3/oh3tr2.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/examples/dirdyvtst/oh3/oh3tr1.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/examples/dirdyvtst/h3/h3tr3.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/examples/dirdyvtst/h3/h3tr2.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/examples/dirdyvtst/h3/h3tr1.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/examples/dirdyvtst/h3/h3tr5.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/examples/dirdyvtst/h3/h3tr4.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/web/doc/user.4.6/images.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/make_nwchem_config_mpich.log + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.log"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/make_64_to_32_openmpi.log ++ find /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 -name '*.sh' + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/config_nwchem.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/check_64_to_32.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/fix_xcodebuild.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/check_failures.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/compile_nwchem.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/guess_simd.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/sleep_loop.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/check_qas.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/run_qas.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/build_env.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/pkg_cleanup.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/compile_check.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/cache_store.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/travis/cache_fetch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rimp2_grad/doc/chbar.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwpw/nwpwlib/nwpwxc/build_dftd3a.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/nxtval.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/strdup_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/nodelist_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/ga_diag_seg_i4_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/ptstride_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/nompif_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/pt.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/scalapacki4_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/peigstubs_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/mingw64_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/msmpi_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/mpipr-too-many_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/tools/gamalloc_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/fix_xcode15.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/check_env.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/strip_compiler.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/config/64all.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/smd/ctagit.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/NWints/simint/libsimint_source/build_simint.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/libxc/libxc_findsizenp.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/compile_openmpi.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/nwchem.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/mkdocs/commit_changes.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/mkdocs/build_website.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/mkdocs/remove_svg.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/mkdocs/preload.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/mkdocs/install_mkdocs.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/fde/freeze_thaw_example/freeze_thaw.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/fde/freeze_thaw_example/clear_up.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/marat/scripts/nw_gen_optimize.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/git.nwchem/download_count_releases.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/git.nwchem/generate_changelog.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/git.nwchem/dotar_release.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/git.nwchem/dotar68_git.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/xeonphi/build4xeonphi.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/xeonphi/dotar.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/compile_mpich.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/rimp2_grad/doc/chbar.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/nwpw/nwpwlib/nwpwxc/build_dftd3a.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/nxtval.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/strdup_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/nodelist_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/ga_diag_seg_i4_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/ptstride_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/nompif_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/pt.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/scalapacki4_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/peigstubs_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/mingw64_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/msmpi_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/mpipr-too-many_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/tools/gamalloc_patch.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/config/fix_xcode15.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/config/check_env.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/config/strip_compiler.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/config/64all.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/smd/ctagit.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/NWints/simint/libsimint_source/build_simint.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src.orig/nwdft/libxc/libxc_findsizenp.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/qa_funcs.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/round_esp.sh + for file in `find ${RPM_BUILD_DIR}/nwchem-74936fb92aec6990ce48bf334747215813684576 -name "*.sh"` + /usr/bin/sed -i 's|/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64||g' /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/sleep_loopqa.sh + /usr/bin/find-debuginfo -j32 --strict-build-id -m -i --build-id-seed 7.2.2-1.ocs23 --unique-debug-suffix -7.2.2-1.ocs23.x86_64 --unique-debug-src-base nwchem-7.2.2-1.ocs23.x86_64 -S debugsourcefiles.list /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 extracting debug info from /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/lib64/openmpi/bin/nwchem_binary_openmpi extracting debug info from /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/lib64/mpich/bin/nwchem_binary_mpich 32731 blocks + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/OpenCloudOS/brp-ldconfig + /usr/lib/rpm/brp-compress + /usr/lib/rpm/OpenCloudOS/brp-strip-lto /usr/bin/strip + /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip + /usr/lib/rpm/check-rpaths + /usr/lib/rpm/OpenCloudOS/brp-mangle-shebangs mangling shebang in /usr/lib64/openmpi/bin/nwchem_openmpi from /bin/bash to #!/usr/bin/bash mangling shebang in /usr/lib64/mpich/bin/nwchem_mpich from /bin/bash to #!/usr/bin/bash + /usr/lib/rpm/OpenCloudOS/brp-python-bytecompile '' 1 0 + /usr/lib/rpm/OpenCloudOS/brp-python-hardlink Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.8TJjKp + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd nwchem-74936fb92aec6990ce48bf334747215813684576 + export NWCHEM_TARGET=LINUX64 + NWCHEM_TARGET=LINUX64 + export NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/ + NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/ + export NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/ + NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/ + mv QA QA.orig.orig + cp -rp QA.orig.orig QA.orig + export NPROC=2 + NPROC=2 + export FLEXIBLAS=openblas-openmp + FLEXIBLAS=openblas-openmp + export 'TIMEOUT_OPTS=--preserve-status --kill-after 10 1800' + TIMEOUT_OPTS='--preserve-status --kill-after 10 1800' + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/661228/exe ']' +++ /usr/bin/readlink /proc/661228/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/openmpi-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export OMPI_MCA_rmaps_base_oversubscribe=1 + OMPI_MCA_rmaps_base_oversubscribe=1 + export 'OMPI_MCA_btl=^uct' + OMPI_MCA_btl='^uct' + export OMPI_MCA_btl_base_warn_component_unused=0 + OMPI_MCA_btl_base_warn_component_unused=0 + cp -rp QA.orig QA + cd QA + export LD_LIBRARY_PATH=/usr/lib64/openmpi/lib + LD_LIBRARY_PATH=/usr/lib64/openmpi/lib + export PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin + PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin + export MPIRUN_PATH=/usr/lib64/openmpi/bin/mpiexec + MPIRUN_PATH=/usr/lib64/openmpi/bin/mpiexec + export 'MPIRUN_NPOPT=-verbose -np' + MPIRUN_NPOPT='-verbose -np' + export USE_LIBXC=True + USE_LIBXC=True + export NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_openmpi + NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_openmpi + timeout --preserve-status --kill-after 10 1800 time ./doafewqmtests.mpi 2 + tee ../doafewqmtests.mpi.2_openmpi.log ======================================================= QM: Running a very small subset of the available tests ======================================================= Running tests/h2o_opt/h2o_opt cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_openmpi) with 2 processors verifying output ... OK OK Running tests/dft_he2+/dft_he2+ cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_openmpi) with 2 processors verifying output ... OK OK Running tests/small_intchk/small_intchk cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_openmpi) with 2 processors + mv testoutputs ../testoutputs.doafewqmtests.mpi.2_openmpi.log + timeout --preserve-status --kill-after 10 1800 time ./dolibxctests.mpi 2 + tee ../dolibxctests.mpi.2_openmpi.log ======================================================= QM: Running tests for the libxc interface ======================================================= Running tests/libxc_he2+/libxc_he2+ cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_openmpi) with 2 processors verifying output ... OK OK Running tests/libxc_li2freq/libxc_li2freq cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_openmpi) with 2 processors + mv testoutputs ../testoutputs.dolibxctests.mpi.2_openmpi.log + BUILD_LOG=../doafewqmtests.mpi.2_openmpi.log + TESTOUTPUTS=../testoutputs.doafewqmtests.mpi.2_openmpi.log + ls -al ../testoutputs.doafewqmtests.mpi.2_openmpi.log total 3012 drwxr-xr-x. 2 mockbuild mock 4096 Jul 23 08:45 . drwxr-xr-x. 17 mockbuild mock 4096 Jul 23 09:44 .. -rw-r--r--. 1 mockbuild mock 0 Jul 23 08:44 dft_he2+.err -rw-r--r--. 1 mockbuild mock 246771 Jul 23 08:44 dft_he2+.ok.out -rw-r--r--. 1 mockbuild mock 2797 Jul 23 08:45 dft_he2+.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 247868 Jul 23 08:45 dft_he2+.out -rw-r--r--. 1 mockbuild mock 2797 Jul 23 08:45 dft_he2+.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 08:44 h2o_opt.err -rw-r--r--. 1 mockbuild mock 623876 Jul 23 08:44 h2o_opt.ok.out -rw-r--r--. 1 mockbuild mock 10915 Jul 23 08:44 h2o_opt.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 620296 Jul 23 08:44 h2o_opt.out -rw-r--r--. 1 mockbuild mock 10915 Jul 23 08:44 h2o_opt.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 08:45 small_intchk.err -rw-r--r--. 1 mockbuild mock 1272001 Jul 23 08:45 small_intchk.ok.out -rw-r--r--. 1 mockbuild mock 20197 Jul 23 08:45 small_intchk.out ++ grep Running ++ cut '-d ' -f 4 +++ grep 'Running tests/' ../doafewqmtests.mpi.2_openmpi.log ++ diff /dev/fd/63 /dev/fd/62 +++ grep -E 'Running tests/|verifying output ... OK' ../doafewqmtests.mpi.2_openmpi.log +++ grep 'verifying output' -B 1 +++ grep Running + for f in $(diff <(grep "Running tests/" ${BUILD_LOG}) <(grep -E "Running tests/|verifying output ... OK" ${BUILD_LOG} | grep "verifying output" -B 1 | grep Running) | grep Running | cut -d' ' -f 4) ################################################################################ + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo ++ basename tests/small_intchk/small_intchk + NAME=small_intchk ../testoutputs.doafewqmtests.mpi.2_openmpi.log/small_intchk.out ################################################################################ + echo ../testoutputs.doafewqmtests.mpi.2_openmpi.log/small_intchk.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + cat ../testoutputs.doafewqmtests.mpi.2_openmpi.log/small_intchk.out argument 1 = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/small_intchk/small_intchk.nw ============================== echo of input deck ============================== echo # # June 1997; RAK # This test case does the energy and gradient of H2CO in a dz+++ like # basis set. The goal of this test case is that all valid integral and # integral derivative paths are checked. As integral pathways open up # new specific test cases should be added to the input/output. # # July 1997; RAK # this is a subset of the full intchk test # # What works in NWCHEM # energy derivatives # 1e 2e(McDav) 2e(texas) 1e 2e(McDav) 2e(texas) # sp shells yes no yes no no no # spherical yes yes yes yes yes yes # general cont. yes no yes no no yes # # not sp shells and general contractions do not work together in texas # # test cases this input covers # # sp shells spherical general contractions test case basis set name # no no no nsp_cart_ngc # no no yes nsp_cart_gc # no yes no nsp_sph_ngc # no yes yes nsp_sph_gc # yes no no sp_cart_ngc # yes no not with sp sp_cart_gc # yes yes no sp_sph_ngc # yes yes not with sp sp_sph_gc # # test case basis set name energy gradient (both txs/McDav) tasks # nsp_cart_ngc yes yes yes 2 grad 1,2 # nsp_cart_gc yes no no 1 energy 3 # nsp_sph_ngc yes yes yes 2 grad 4,5 # nsp_sph_gc yes no no 1 energy 6 # sp_cart_ngc yes no no 1 energy 7 # sp_cart_gc no no no # sp_sph_ngc yes no no 1 energy 8 # sp_sph_gc no no no # # total of 8 tasks # title "test case for integral methods" start small_intchk memory heap 30 mb stack 60 mb global 20 mb basis "nsp_cart_ngc" segment cartesian C S 0.1675097360D+02 0.56376 -0.14469 0.2888377460D+01 0.69771 -0.31014 0.6904575040D+00 -0.27058 0.37936 C S 0.1813976910D+00 1.0 C P 0.1675097360D+02 0.01728 0.56124 0.2888377460D+01 0.12274 0.14810 0.6904575040D+00 0.46512 0.02086 C P 0.1813976910D+00 1.0 C D 0.8000000000D+00 0.60130 -0.59826 0.41 -4.46009 2.22179 C F 0.1000000000D+01 1.0 C G 0.610000000 1.0 O S 0.1842936330D+02 0.74080 -0.22131 0.4047420810D+01 0.32649 -0.18875 0.1093836980D+01 -0.01862 -0.32132 O S 0.2906290230D+00 1.0 O P 0.1842936330D+02 0.03817 0.40991 0.4047420810D+01 0.19664 0.18120 0.1093836980D+01 0.44177 0.03455 O P 0.2906290230D+00 1.0 O D 0.8000000000D+00 0.01199 0.69309 0.42 0.17729 0.05585 O F 0.1100000000D+01 1.0 O G 0.620000000 1.0 H S 0.1873113696D+02 0.01273 0.02297 0.2825394365D+01 0.09086 -0.00804 0.6401216923D+00 0.37128 1.35954 H S 0.1612777588D+00 1.0 H P 0.6401216923D+00 1.0 end basis "nsp_sph_ngc" segment spherical C S 0.1675097360D+02 0.56376 -0.14469 0.2888377460D+01 0.69771 -0.31014 0.6904575040D+00 -0.27058 0.37936 C S 0.1813976910D+00 1.0 C P 0.1675097360D+02 0.01728 0.56124 0.2888377460D+01 0.12274 0.14810 0.6904575040D+00 0.46512 0.02086 C P 0.1813976910D+00 1.0 C D 0.8000000000D+00 0.60130 -0.59826 0.41 -4.46009 2.22179 C F 0.1000000000D+01 1.0 C G 0.610000000 1.0 O S 0.1842936330D+02 0.74080 -0.22131 0.4047420810D+01 0.32649 -0.18875 0.1093836980D+01 -0.01862 -0.32132 O S 0.2906290230D+00 1.0 O P 0.1842936330D+02 0.03817 0.40991 0.4047420810D+01 0.19664 0.18120 0.1093836980D+01 0.44177 0.03455 O P 0.2906290230D+00 1.0 O D 0.8000000000D+00 0.01199 0.69309 0.42 0.17729 0.05585 O F 0.1100000000D+01 1.0 O G 0.620000000 1.0 H S 0.1873113696D+02 0.01273 0.02297 0.2825394365D+01 0.09086 -0.00804 0.6401216923D+00 0.37128 1.35954 H S 0.1612777588D+00 1.0 H P 0.6401216923D+00 1.0 end geometry C 0.00000000 0.00000000 -0.49605616 O 0.00000000 0.00000000 0.68022911 H 0.00000000 0.92724885 -1.08515798 H 0.00000000 -0.92724885 -1.08515798 end task version #mytask 4 of 10: nsp_sph_ngc with texas unset int:* unset scf:* set "ao basis" "nsp_sph_ngc" set int:txs:limxmem integer 4000000 scf;thresh 1.0e-6;vectors input atomic;end task scf energy #mytask 5 of 10: nsp_sph_ngc wihtout texas unset int:* unset scf:* scf;thresh 1.0e-6;vectors input atomic;end set "int:cando_txs" logical false task scf energy ================================================================================ Northwest Computational Chemistry Package (NWChem) 7.2.2 -------------------------------------------------------- Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352 Copyright (c) 1994-2022 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the Educational Community License (ECL) 2.0 A copy of the license is included with this distribution in the LICENSE.TXT file ACKNOWLEDGMENT -------------- This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing. Job information --------------- hostname = builder1.x64.stream.opencloudos.tech program = nwchem_binary_openmpi date = Tue Jul 23 08:45:07 2024 compiled = Tue_Jul_23_06:15:37_2024 source = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 nwchem branch = 7.2.2 nwchem revision = N/A ga revision = 5.8.0 use scalapack = T input = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/small_intchk/small_intchk.nw prefix = small_intchk. data base = ./small_intchk.db status = startup nproc = 2 time left = -1s Memory information ------------------ heap = 3932160 doubles = 30.0 Mbytes stack = 7864317 doubles = 60.0 Mbytes global = 2621440 doubles = 20.0 Mbytes (distinct from heap & stack) total = 14417917 doubles = 110.0 Mbytes verify = yes hardfail = no Directory information --------------------- 0 permanent = . 0 scratch = . NWChem Input Module ------------------- test case for integral methods ------------------------------ library name resolved from: environment library file name is: Basis "nsp_cart_ngc" -> "" (cartesian) ----- C (Carbon) ---------- Exponent Coefficients -------------- --------------------------------------------------------- 1 S 1.67509736E+01 0.563760 1 S 2.88837746E+00 0.697710 1 S 6.90457504E-01 -0.270580 2 S 1.67509736E+01 -0.144690 2 S 2.88837746E+00 -0.310140 2 S 6.90457504E-01 0.379360 3 S 1.81397691E-01 1.000000 4 P 1.67509736E+01 0.017280 4 P 2.88837746E+00 0.122740 4 P 6.90457504E-01 0.465120 5 P 1.67509736E+01 0.561240 5 P 2.88837746E+00 0.148100 5 P 6.90457504E-01 0.020860 6 P 1.81397691E-01 1.000000 7 D 8.00000000E-01 0.601300 7 D 4.10000000E-01 -4.460090 8 D 8.00000000E-01 -0.598260 8 D 4.10000000E-01 2.221790 9 F 1.00000000E+00 1.000000 10 G 6.10000000E-01 1.000000 O (Oxygen) ---------- Exponent Coefficients -------------- --------------------------------------------------------- 1 S 1.84293633E+01 0.740800 1 S 4.04742081E+00 0.326490 1 S 1.09383698E+00 -0.018620 2 S 1.84293633E+01 -0.221310 2 S 4.04742081E+00 -0.188750 2 S 1.09383698E+00 -0.321320 3 S 2.90629023E-01 1.000000 4 P 1.84293633E+01 0.038170 4 P 4.04742081E+00 0.196640 4 P 1.09383698E+00 0.441770 5 P 1.84293633E+01 0.409910 5 P 4.04742081E+00 0.181200 5 P 1.09383698E+00 0.034550 6 P 2.90629023E-01 1.000000 7 D 8.00000000E-01 0.011990 7 D 4.20000000E-01 0.177290 8 D 8.00000000E-01 0.693090 8 D 4.20000000E-01 0.055850 9 F 1.10000000E+00 1.000000 10 G 6.20000000E-01 1.000000 H (Hydrogen) ------------ Exponent Coefficients -------------- --------------------------------------------------------- 1 S 1.87311370E+01 0.012730 1 S 2.82539437E+00 0.090860 1 S 6.40121692E-01 0.371280 2 S 1.87311370E+01 0.022970 2 S 2.82539437E+00 -0.008040 2 S 6.40121692E-01 1.359540 3 S 1.61277759E-01 1.000000 4 P 6.40121692E-01 1.000000 Summary of "nsp_cart_ngc" -> "" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- C user specified 10 49 3s3p2d1f1g O user specified 10 49 3s3p2d1f1g H user specified 4 6 3s1p library name resolved from: environment library file name is: Basis "nsp_sph_ngc" -> "" (spherical) ----- C (Carbon) ---------- Exponent Coefficients -------------- --------------------------------------------------------- 1 S 1.67509736E+01 0.563760 1 S 2.88837746E+00 0.697710 1 S 6.90457504E-01 -0.270580 2 S 1.67509736E+01 -0.144690 2 S 2.88837746E+00 -0.310140 2 S 6.90457504E-01 0.379360 3 S 1.81397691E-01 1.000000 4 P 1.67509736E+01 0.017280 4 P 2.88837746E+00 0.122740 4 P 6.90457504E-01 0.465120 5 P 1.67509736E+01 0.561240 5 P 2.88837746E+00 0.148100 5 P 6.90457504E-01 0.020860 6 P 1.81397691E-01 1.000000 7 D 8.00000000E-01 0.601300 7 D 4.10000000E-01 -4.460090 8 D 8.00000000E-01 -0.598260 8 D 4.10000000E-01 2.221790 9 F 1.00000000E+00 1.000000 10 G 6.10000000E-01 1.000000 O (Oxygen) ---------- Exponent Coefficients -------------- --------------------------------------------------------- 1 S 1.84293633E+01 0.740800 1 S 4.04742081E+00 0.326490 1 S 1.09383698E+00 -0.018620 2 S 1.84293633E+01 -0.221310 2 S 4.04742081E+00 -0.188750 2 S 1.09383698E+00 -0.321320 3 S 2.90629023E-01 1.000000 4 P 1.84293633E+01 0.038170 4 P 4.04742081E+00 0.196640 4 P 1.09383698E+00 0.441770 5 P 1.84293633E+01 0.409910 5 P 4.04742081E+00 0.181200 5 P 1.09383698E+00 0.034550 6 P 2.90629023E-01 1.000000 7 D 8.00000000E-01 0.011990 7 D 4.20000000E-01 0.177290 8 D 8.00000000E-01 0.693090 8 D 4.20000000E-01 0.055850 9 F 1.10000000E+00 1.000000 10 G 6.20000000E-01 1.000000 H (Hydrogen) ------------ Exponent Coefficients -------------- --------------------------------------------------------- 1 S 1.87311370E+01 0.012730 1 S 2.82539437E+00 0.090860 1 S 6.40121692E-01 0.371280 2 S 1.87311370E+01 0.022970 2 S 2.82539437E+00 -0.008040 2 S 6.40121692E-01 1.359540 3 S 1.61277759E-01 1.000000 4 P 6.40121692E-01 1.000000 Summary of "nsp_sph_ngc" -> "" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- C user specified 10 38 3s3p2d1f1g O user specified 10 38 3s3p2d1f1g H user specified 4 6 3s1p Scaling coordinates for geometry "geometry" by 1.889725989 (inverse scale = 0.529177249) C2V symmetry detected ------ auto-z ------ Looking for out-of-plane bends no constraints, skipping 0.0000000000000000 no constraints, skipping 0.0000000000000000 Geometry "geometry" -> "" ------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 C 6.0000 0.00000000 0.00000000 -0.51450491 2 O 8.0000 0.00000000 0.00000000 0.66178036 3 H 1.0000 0.00000000 0.92724885 -1.10360673 4 H 1.0000 0.00000000 -0.92724885 -1.10360673 Atomic Mass ----------- C 12.000000 O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 31.9055692073 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 -0.0000000000 Symmetry information -------------------- Group name C2v Group number 16 Group order 4 No. of unique centers 3 Symmetry unique atoms 1 2 3 Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Type Name I J K L M Value ----------- -------- ----- ----- ----- ----- ----- ---------- 1 Stretch 1 2 1.17629 2 Stretch 1 3 1.09856 3 Stretch 1 4 1.09856 4 Bend 2 1 3 122.42870 5 Bend 2 1 4 122.42870 6 Bend 3 1 4 115.14259 7 Torsion 2 1 3 4 180.00000 8 Torsion 2 1 4 3 180.00000 9 Torsion 3 1 2 4 180.00000 10 Torsion 2 4 1 3 180.00000 11 Torsion 3 2 1 4 180.00000 12 Torsion 2 3 1 4 180.00000 XYZ format geometry ------------------- 4 geometry C 0.00000000 0.00000000 -0.51450491 O 0.00000000 0.00000000 0.66178036 H 0.00000000 0.92724885 -1.10360673 H 0.00000000 -0.92724885 -1.10360673 ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 O | 1 C | 2.22286 | 1.17629 3 H | 1 C | 2.07598 | 1.09856 4 H | 1 C | 2.07598 | 1.09856 ------------------------------------------------------------------------------ number of included internuclear distances: 3 ============================================================================== ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 O | 1 C | 3 H | 122.43 2 O | 1 C | 4 H | 122.43 3 H | 1 C | 4 H | 115.14 ------------------------------------------------------------------------------ number of included internuclear angles: 3 ============================================================================== util_version: stubbed out. Use 'make version' in the util directory to build version info util_version: stubbed out. Use 'make version' in the util directory to build version info Task times cpu: 0.0s wall: 0.0s NWChem Input Module ------------------- NWChem SCF Module ----------------- test case for integral methods ao basis = "nsp_sph_ngc" functions = 88 atoms = 4 closed shells = 8 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = atomic output vectors = ./small_intchk.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "nsp_sph_ngc" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- C user specified 10 38 3s3p2d1f1g O user specified 10 38 3s3p2d1f1g H user specified 4 6 3s1p Symmetry analysis of basis -------------------------- a1 35 a2 11 b1 19 b2 23 texas integral default override: limxmem = 4000000 Forming initial guess at 0.1s Superposition of Atomic Density Guess ------------------------------------- Sum of atomic energies: -103.95493912 ################################################################################ total 756 drwxr-xr-x. 2 mockbuild mock 4096 Jul 23 09:14 . drwxr-xr-x. 17 mockbuild mock 4096 Jul 23 09:44 .. -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:14 libxc_he2+.err -rw-r--r--. 1 mockbuild mock 223258 Jul 23 09:14 libxc_he2+.ok.out -rw-r--r--. 1 mockbuild mock 2522 Jul 23 09:14 libxc_he2+.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 221853 Jul 23 09:14 libxc_he2+.out -rw-r--r--. 1 mockbuild mock 2522 Jul 23 09:14 libxc_he2+.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:14 libxc_li2freq.err -rw-r--r--. 1 mockbuild mock 288034 Jul 23 09:14 libxc_li2freq.ok.out -rw-r--r--. 1 mockbuild mock 14648 Jul 23 09:14 libxc_li2freq.out ################################################################################ ../testoutputs.dolibxctests.mpi.2_openmpi.log/libxc_li2freq.out ################################################################################ argument 1 = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/libxc_li2freq/libxc_li2freq.nw ============================== echo of input deck ============================== echo start li2freq charge 0 geometry li 0 0 0 li 0 0 2.76296 end basis "ao basis" * library "6-311+G*" end dft xc gga_x_mpw91 grid fine convergence energy 1d-9 end driver clear tight end task dft optimize dft;grid xfine;end task dft freq ================================================================================ Northwest Computational Chemistry Package (NWChem) 7.2.2 -------------------------------------------------------- Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352 Copyright (c) 1994-2022 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the Educational Community License (ECL) 2.0 A copy of the license is included with this distribution in the LICENSE.TXT file ACKNOWLEDGMENT -------------- This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing. Job information --------------- hostname = builder1.x64.stream.opencloudos.tech program = nwchem_binary_openmpi date = Tue Jul 23 09:14:21 2024 compiled = Tue_Jul_23_06:15:37_2024 source = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 nwchem branch = 7.2.2 nwchem revision = N/A ga revision = 5.8.0 use scalapack = T input = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/libxc_li2freq/libxc_li2freq.nw prefix = li2freq. data base = ./li2freq.db status = startup nproc = 2 time left = -1s Memory information ------------------ heap = 26214394 doubles = 200.0 Mbytes stack = 26214399 doubles = 200.0 Mbytes global = 52428800 doubles = 400.0 Mbytes (distinct from heap & stack) total = 104857593 doubles = 800.0 Mbytes verify = yes hardfail = no Directory information --------------------- 0 permanent = . 0 scratch = . NWChem Input Module ------------------- Scaling coordinates for geometry "geometry" by 1.889725989 (inverse scale = 0.529177249) ORDER OF PRIMARY AXIS IS BEING SET TO 4 D4H symmetry detected ------ auto-z ------ no constraints, skipping 0.0000000000000000 no constraints, skipping 0.0000000000000000 Geometry "geometry" -> "" ------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 li 3.0000 0.00000000 0.00000000 -1.38148000 2 li 3.0000 0.00000000 0.00000000 1.38148000 Atomic Mass ----------- li 7.016000 Effective nuclear repulsion energy (a.u.) 1.7237293486 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Symmetry information -------------------- Group name D4h Group number 28 Group order 16 No. of unique centers 1 Symmetry unique atoms 1 Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Type Name I J K L M Value ----------- -------- ----- ----- ----- ----- ----- ---------- 1 Stretch 1 2 2.76296 XYZ format geometry ------------------- 2 geometry li 0.00000000 0.00000000 -1.38148000 li 0.00000000 0.00000000 1.38148000 ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 li | 1 li | 5.22124 | 2.76296 ------------------------------------------------------------------------------ number of included internuclear distances: 1 ============================================================================== library name resolved from: environment library file name is: Summary of "ao basis" -> "" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- * 6-311+G* on all atoms Deleted DRIVER restart files NWChem Geometry Optimization ---------------------------- no constraints, skipping 0.0000000000000000 maximum gradient threshold (gmax) = 0.000015 rms gradient threshold (grms) = 0.000010 maximum cartesian step threshold (xmax) = 0.000060 rms cartesian step threshold (xrms) = 0.000040 fixed trust radius (trust) = 0.300000 maximum step size to saddle (sadstp) = 0.100000 energy precision (eprec) = 5.0D-06 maximum number of steps (nptopt) = 40 initial hessian option (inhess) = 0 line search option (linopt) = 1 hessian update option (modupd) = 1 saddle point option (modsad) = 0 initial eigen-mode to follow (moddir) = 0 initial variable to follow (vardir) = 0 follow first negative mode (firstneg) = T apply conjugacy (opcg) = F source of zmatrix = autoz ------------------- Energy Minimization ------------------- Names of Z-matrix variables 1 Variables with the same non-blank name are constrained to be equal Using diagonal initial Hessian Scaling for Hessian diagonals: bonds = 1.00 angles = 0.25 torsions = 0.10 -------- Step 0 -------- Geometry "geometry" -> "geometry" --------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 li 3.0000 0.00000000 0.00000000 -1.38148000 2 li 3.0000 0.00000000 0.00000000 1.38148000 Atomic Mass ----------- li 7.016000 Effective nuclear repulsion energy (a.u.) 1.7237293486 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Symmetry information -------------------- Group name D4h Group number 28 Group order 16 No. of unique centers 1 Symmetry unique atoms 1 NWChem DFT Module ----------------- Basis "ao basis" -> "ao basis" (cartesian) ----- li (Lithium) ------------ Exponent Coefficients -------------- --------------------------------------------------------- 1 S 9.00460000E+02 0.002287 1 S 1.34433000E+02 0.017635 1 S 3.04365000E+01 0.087343 1 S 8.62639000E+00 0.280977 1 S 2.48332000E+00 0.658741 1 S 3.03179000E-01 0.118712 2 S 4.86890000E+00 0.093329 2 S 8.56924000E-01 0.943045 2 S 2.43227000E-01 -0.002798 3 P 4.86890000E+00 0.032766 3 P 8.56924000E-01 0.159792 3 P 2.43227000E-01 0.885667 4 S 6.35070000E-02 1.000000 5 P 6.35070000E-02 1.000000 6 S 2.43683000E-02 1.000000 7 P 2.43683000E-02 1.000000 8 S 7.40000000E-03 1.000000 9 P 7.40000000E-03 1.000000 10 D 2.00000000E-01 1.000000 Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- li 6-311+G* 10 23 5s4p1d Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- li 6-311+G* 10 23 5s4p1d Symmetry analysis of basis -------------------------- a1g 11 a1u 0 a2g 0 a2u 11 b1g 1 b1u 1 b2g 1 b2u 1 eg 10 eu 10 Caching 1-el integrals itol2e modified to match energy convergence criterion. tol_rho modified to match energy convergence criterion. General Information ------------------- SCF calculation type: DFT Wavefunction type: closed shell. No. of atoms : 2 No. of electrons : 6 Alpha electrons : 3 Beta electrons : 3 Charge : 0 Spin multiplicity: 1 Use of symmetry is: on ; symmetry adaption is: on Maximum number of iterations: 50 AO basis - number of functions: 46 number of shells: 20 Convergence on energy requested: 1.00D-09 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 XC Information -------------- Using LibXC version 6.2.2 gga_x_mpw91 1.000 Grid Information ---------------- Grid used for XC integration: fine Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- li 1.45 70 24.0 590 Grid pruning is: on Number of quadrature shells: 70 Spatial weights used: Erf1 Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information ------------------------------- Density screening/tol_rho: 1.00D-12 AO Gaussian exp screening on grid/accAOfunc: 21 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-10 Superposition of Atomic Density Guess ------------------------------------- Sum of atomic energies: -14.86401107 Non-variational initial energy ------------------------------ Total energy = -14.802333 1-e energy = -22.837773 2-e energy = 6.311711 HOMO = -0.161183 LUMO = -0.022466 Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a1g 2 a1u 3 a2g 4 a2u 5 b1g 6 b1u 7 b2g 8 b2u 9 eg 10 eu Orbital symmetries: 1 a1g 2 a2u 3 a1g 4 a2u 5 eu 6 eu 7 a1g 8 a2u 9 eg 10 eg 11 a1g 12 eu 13 eu WARNING: movecs_in_org=atomic not equal to movecs_in=./li2freq.movecs Time after variat. SCF: 0.3 Time prior to 1st pass: 0.3 ################################################################################ + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + test -r ../testoutputs.doafewqmtests.mpi.2_openmpi.log/small_intchk.out.nwparse + cat ../testoutputs.doafewqmtests.mpi.2_openmpi.log/small_intchk.err + BUILD_LOG=../dolibxctests.mpi.2_openmpi.log + TESTOUTPUTS=../testoutputs.dolibxctests.mpi.2_openmpi.log + ls -al ../testoutputs.dolibxctests.mpi.2_openmpi.log ++ grep Running ++ cut '-d ' -f 4 +++ grep 'Running tests/' ../dolibxctests.mpi.2_openmpi.log ++ diff /dev/fd/63 /dev/fd/62 +++ grep -E 'Running tests/|verifying output ... OK' ../dolibxctests.mpi.2_openmpi.log +++ grep 'verifying output' -B 1 +++ grep Running + for f in $(diff <(grep "Running tests/" ${BUILD_LOG}) <(grep -E "Running tests/|verifying output ... OK" ${BUILD_LOG} | grep "verifying output" -B 1 | grep Running) | grep Running | cut -d' ' -f 4) + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo ++ basename tests/libxc_li2freq/libxc_li2freq + NAME=libxc_li2freq + echo ../testoutputs.dolibxctests.mpi.2_openmpi.log/libxc_li2freq.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + cat ../testoutputs.dolibxctests.mpi.2_openmpi.log/libxc_li2freq.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + test -r ../testoutputs.dolibxctests.mpi.2_openmpi.log/libxc_li2freq.out.nwparse + cat ../testoutputs.dolibxctests.mpi.2_openmpi.log/libxc_li2freq.err + cd .. + rm -rf QA + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/661228/exe ']' +++ /usr/bin/readlink /proc/661228/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/openmpi-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/661228/exe ']' +++ /usr/bin/readlink /proc/661228/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module load mpi/mpich-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + export 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' + export HYDRA_DEBUG=0 + HYDRA_DEBUG=0 + cp -rp QA.orig QA + cd QA + export LD_LIBRARY_PATH=/usr/lib64/mpich/lib + LD_LIBRARY_PATH=/usr/lib64/mpich/lib + export PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin + PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin + export MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec + MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec + export 'MPIRUN_NPOPT=-verbose -np' + MPIRUN_NPOPT='-verbose -np' + export USE_LIBXC=True + USE_LIBXC=True + export NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich + NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich + timeout --preserve-status --kill-after 10 1800 time ./doafewqmtests.mpi 2 + tee ../doafewqmtests.mpi.2_mpich.log ======================================================= QM: Running a very small subset of the available tests ======================================================= Running tests/h2o_opt/h2o_opt cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... failed @@@ Comparison of Output Files @@ -62,9 +62,7 @@ Total SCF energy = -75.96981 Atoms Coordinates: - O -0.280 0.000 -0.007 H -0.098 0.000 1.780 H 1.887 0.000 -0.676 Atoms Gradients: - O -0.125 0.000 0.039 H 0.000 0.000 0.000 H 0.125 0.000 -0.039 @@ -260,9 +258,7 @@ Total SCF energy = -75.96981 Atoms Coordinates: - O -0.231 -0.159 0.000 H 0.967 -1.497 0.000 H 1.129 1.656 0.000 Atoms Gradients: - O -0.078 -0.105 0.000 H 0.000 0.000 0.000 H 0.078 0.105 0.000 Failed Running tests/dft_he2+/dft_he2+ cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/small_intchk/small_intchk cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o_dk/h2o_dk cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/cosmo_h2o_dft/cosmo_h2o_dft cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/pyqa3/pyqa3 cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/tddft_h2o/tddft_h2o cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors NWChem execution failed ------------------------------ Total energy = -75.904518 1-e energy = -121.613649 2-e energy = 36.589689 HOMO = -0.469134 LUMO = 0.112377 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of molecular orbitals - initial ------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Numbering of irreducible representations: 1 a1 2 a2 3 b1 4 b2 Orbital symmetries: 1 a1 2 a1 3 b1 4 a1 5 b2 6 a1 7 b1 8 b1 9 a1 10 a1 11 b2 12 b1 13 a1 14 a1 15 a2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT WARNING: movecs_in_org=atomic not equal to movecs_in=./tddft_h2o.movecs Time after variat. SCF: 0.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 0.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_EXIT_STATUS Program received signal SIGFPE: Floating-point exception - erroneous arithmetic operation. Backtrace for this error: #0 0x7ff5ddc23862 in ??? #1 0x7ff5ddc229f5 in ??? #2 0x7ff5d2a54acf in ??? #3 0x7ff5cfcf2eb7 in ??? #4 0x7ff5cfbea7bf in ??? #5 0x4621c8f in ??? #6 0x7c4d49 in ??? #7 0x737210 in ??? #8 0x864259 in ??? #9 0x85ded5 in grid_loop_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid/grid_loop.F:335 #10 0x861aa9 in ??? #11 0x731da3 in ??? #12 0x7339f1 in ??? #13 0x6e8e06 in xc_getvxc_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getvxc.F:189 #14 0x6e890b in xc_getv_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getv.F:459 #15 0x68cc5b in dft_fockbld_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_fockbld.F:442 #16 0x684717 in dft_scf_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_scf.F:1304 #17 0x67f24f in dft_main0d_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_main0d.F:581 #18 0x6736e6 in nwdft_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:412 #19 0x673a81 in dft_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:18 #20 0x5fd707 in tddft_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft/tddft_energy.F:140 #21 0x426718 in task_energy_doit_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:308 #22 0x4280b3 in task_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:122 #23 0x41718e in task_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task.F:377 #24 0x40e1fd in nwchem at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:331 #25 0x40e743 in main at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:415 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich: line 3: 686292 Floating point exception(core dumped) nwchem_binary_mpich "$@" Failed Running tests/tddft_n2+/tddft_n2+ cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors NWChem execution failed ------------------------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT !! scf_movecs_sym_adapt: 16 vectors were symmetry contaminated Symmetry fudging [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT !! scf_movecs_sym_adapt: 12 vectors were symmetry contaminated [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Numbering of irreducible representations: 1 ag 2 au 3 b1g 4 b1u 5 b2g 6 b2u 7 b3g 8 b3u Orbital symmetries: 1 ag 2 b1u 3 ag 4 b1u 5 b3u Sending upstream hdr.cmd = CMD_STDOUT 6 b2u 7 ag 8 b2g 9 b3g 10 b1u 11 ag 12 b3u 13 b2u 14 ag 15 b1u 16 b2g 17 b3g [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT WARNING: movecs_in_org=atomic not equal to movecs_in=./tddft_n2+.movecs Time after variat. SCF: 0.4 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 0.4 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_EXIT_STATUS Program received signal SIGFPE: Floating-point exception - erroneous arithmetic operation. Backtrace for this error: #0 0x7ff445e23862 in ??? #1 0x7ff445e229f5 in ??? #2 0x7ff43ac54acf in ??? #3 0x7ff437ef2eb7 in ??? #4 0x7ff437dea7bf in ??? #5 0x4621c8f in ??? #6 0x7c4d49 in ??? #7 0x737210 in ??? #8 0x864259 in ??? #9 0x85ded5 in grid_loop_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid/grid_loop.F:335 #10 0x861aa9 in ??? #11 0x731da3 in ??? #12 0x7339f1 in ??? #13 0x6e8e06 in xc_getvxc_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getvxc.F:189 #14 0x6e890b in xc_getv_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getv.F:459 #15 0x68cc5b in dft_fockbld_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_fockbld.F:442 #16 0x684717 in dft_scf_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_scf.F:1304 #17 0x67f24f in dft_main0d_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_main0d.F:581 #18 0x6736e6 in nwdft_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:412 #19 0x673a81 in dft_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:18 #20 0x5fd707 in tddft_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft/tddft_energy.F:140 #21 0x426718 in task_energy_doit_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:308 #22 0x4280b3 in task_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:122 #23 0x41718e in task_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task.F:377 #24 0x40e1fd in nwchem at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:331 #25 0x40e743 in main at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:415 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich: line 3: 686386 Floating point exception(core dumped) nwchem_binary_mpich "$@" Failed Running tests/tddft_ac_co/tddft_ac_co cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/hi_zora_sf/hi_zora_sf cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/ch3radical_unrot/ch3radical_unrot cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors NWChem execution failed [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT dft: using ZORA Superposition of Atomic Density Guess ------------------------------------- Sum of atomic energies: -39.16798055 Performing ZORA calculations ---------------------------- Read atomic ZORA corrections from ./ch3radical_unrot.zora_sf [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Loading old vectors from job with title : ch3radical_unrot [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time after variat. SCF: 3.1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 3.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_EXIT_STATUS Program received signal SIGFPE: Floating-point exception - erroneous arithmetic operation. Backtrace for this error: #0 0x7f9a91e23862 in ??? #1 0x7f9a91e229f5 in ??? #2 0x7f9a91c54acf in ??? #3 0x7f9a840f2eb7 in ??? #4 0x7f9a83fea7bf in ??? #5 0x4621c8f in ??? #6 0x7c4d49 in ??? #7 0x737210 in ??? #8 0x864259 in ??? #9 0x85ded5 in grid_loop_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid/grid_loop.F:335 #10 0x861aa9 in ??? #11 0x731da3 in ??? #12 0x7339f1 in ??? #13 0x6e8e06 in xc_getvxc_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getvxc.F:189 #14 0x6e890b in xc_getv_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getv.F:459 #15 0x68cc5b in dft_fockbld_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_fockbld.F:442 #16 0x684717 in dft_scf_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_scf.F:1304 #17 0x67f24f in dft_main0d_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_main0d.F:581 #18 0x6736e6 in nwdft_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:412 #19 0x673a81 in dft_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:18 #20 0x426664 in task_energy_doit_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:301 #21 0x4280b3 in task_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:122 #22 0xbf3fb9 in ??? #23 0xbec814 in ??? #24 0x41b2c3 in task_property_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_property.F:31 #25 0x417210 in task_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task.F:381 #26 0x40e1fd in nwchem at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:331 #27 0x40e743 in main at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:415 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich: line 3: 696154 Floating point exception(core dumped) nwchem_binary_mpich "$@" Failed Running tests/prop_ch3f/prop_ch3f cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... failed @@@ Comparison of Output Files @@ -39,5 +39,4 @@ XXX -0.531 0.000 -0.531 YYY -0.531 0.000 -0.531 -ZZZ -4.364 0.000 -4.364 XXY 0.531 0.000 0.531 XXZ -1.521 0.000 -1.521 @@ -251,5 +250,4 @@ ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 -isotropic = 119.333 anisotropy = 102.814 isotropic = 450.683 Failed Running tests/h2_bnl/h2_bnl cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/h2o_bnl/h2o_bnl cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors + mv testoutputs ../testoutputs.doafewqmtests.mpi.2_mpich.log + timeout --preserve-status --kill-after 10 1800 time ./dolibxctests.mpi 2 + tee ../dolibxctests.mpi.2_mpich.log ======================================================= QM: Running tests for the libxc interface ======================================================= Running tests/libxc_he2+/libxc_he2+ cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/libxc_li2freq/libxc_li2freq cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/libxc-h2o-camb3lyp-pol/libxc-h2o-camb3lyp-pol cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... failed @@@ Comparison of Output Files @@ -13,6 +13,4 @@ DMX 0.000 DMXEFC 0.000 -DMY 0.000 -DMYEFC 0.000 DMZ -1.892 DMZEFC 0.000 Failed Running tests/libxc_he2p_wb97/libxc_he2p_wb97 cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors verifying output ... OK OK Running tests/libxc_ne2p_wb97x/libxc_ne2p_wb97x cleaning scratch copying input and verified output files running nwchem (/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich) with 2 processors + mv testoutputs ../testoutputs.dolibxctests.mpi.2_mpich.log + BUILD_LOG=../doafewqmtests.mpi.2_mpich.log + TESTOUTPUTS=../testoutputs.doafewqmtests.mpi.2_mpich.log + ls -al ../testoutputs.doafewqmtests.mpi.2_mpich.log total 5088 drwxr-xr-x. 2 mockbuild mock 4096 Jul 23 10:00 . drwxr-xr-x. 19 mockbuild mock 4096 Jul 23 10:44 .. -rw-r--r--. 1 mockbuild mock 2400 Jul 23 09:58 ch3radical_unrot.err -rw-r--r--. 1 mockbuild mock 123520 Jul 23 09:58 ch3radical_unrot.ok.out -rw-r--r--. 1 mockbuild mock 111414 Jul 23 09:58 ch3radical_unrot.out -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:45 cosmo_h2o_dft.err -rw-r--r--. 1 mockbuild mock 31874 Jul 23 09:45 cosmo_h2o_dft.ok.out -rw-r--r--. 1 mockbuild mock 76 Jul 23 09:45 cosmo_h2o_dft.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 51682 Jul 23 09:45 cosmo_h2o_dft.out -rw-r--r--. 1 mockbuild mock 76 Jul 23 09:45 cosmo_h2o_dft.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:44 dft_he2+.err -rw-r--r--. 1 mockbuild mock 246771 Jul 23 09:44 dft_he2+.ok.out -rw-r--r--. 1 mockbuild mock 2797 Jul 23 09:44 dft_he2+.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 270626 Jul 23 09:44 dft_he2+.out -rw-r--r--. 1 mockbuild mock 2797 Jul 23 09:44 dft_he2+.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 10:00 h2_bnl.err -rw-r--r--. 1 mockbuild mock 24873 Jul 23 09:59 h2_bnl.ok.out -rw-r--r--. 1 mockbuild mock 75 Jul 23 10:00 h2_bnl.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 62318 Jul 23 10:00 h2_bnl.out -rw-r--r--. 1 mockbuild mock 75 Jul 23 10:00 h2_bnl.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 10:00 h2o_bnl.err -rw-r--r--. 1 mockbuild mock 67303 Jul 23 10:00 h2o_bnl.ok.out -rw-r--r--. 1 mockbuild mock 246690 Jul 23 10:14 h2o_bnl.out -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:45 h2o_dk.err -rw-r--r--. 1 mockbuild mock 52325 Jul 23 09:45 h2o_dk.ok.out -rw-r--r--. 1 mockbuild mock 837 Jul 23 09:45 h2o_dk.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 74715 Jul 23 09:45 h2o_dk.out -rw-r--r--. 1 mockbuild mock 837 Jul 23 09:45 h2o_dk.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:44 h2o_opt.err -rw-r--r--. 1 mockbuild mock 623876 Jul 23 09:44 h2o_opt.ok.out -rw-r--r--. 1 mockbuild mock 10915 Jul 23 09:44 h2o_opt.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 643671 Jul 23 09:44 h2o_opt.out -rw-r--r--. 1 mockbuild mock 10735 Jul 23 09:44 h2o_opt.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:57 hi_zora_sf.err -rw-r--r--. 1 mockbuild mock 40414 Jul 23 09:57 hi_zora_sf.ok.out -rw-r--r--. 1 mockbuild mock 79 Jul 23 09:58 hi_zora_sf.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 64066 Jul 23 09:58 hi_zora_sf.out -rw-r--r--. 1 mockbuild mock 79 Jul 23 09:58 hi_zora_sf.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:58 prop_ch3f.err -rw-r--r--. 1 mockbuild mock 157014 Jul 23 09:58 prop_ch3f.ok.out -rw-r--r--. 1 mockbuild mock 5646 Jul 23 09:59 prop_ch3f.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 181205 Jul 23 09:59 prop_ch3f.out -rw-r--r--. 1 mockbuild mock 5601 Jul 23 09:59 prop_ch3f.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:45 pyqa3.err -rw-r--r--. 1 mockbuild mock 194324 Jul 23 09:45 pyqa3.ok.out -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:46 pyqa3.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 57441 Jul 23 09:46 pyqa3.out -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:46 pyqa3.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:44 small_intchk.err -rw-r--r--. 1 mockbuild mock 1272001 Jul 23 09:44 small_intchk.ok.out -rw-r--r--. 1 mockbuild mock 108 Jul 23 09:45 small_intchk.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 77348 Jul 23 09:45 small_intchk.out -rw-r--r--. 1 mockbuild mock 108 Jul 23 09:45 small_intchk.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 09:46 tddft_ac_co.err -rw-r--r--. 1 mockbuild mock 54127 Jul 23 09:46 tddft_ac_co.ok.out -rw-r--r--. 1 mockbuild mock 967 Jul 23 09:57 tddft_ac_co.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 96394 Jul 23 09:57 tddft_ac_co.out -rw-r--r--. 1 mockbuild mock 967 Jul 23 09:57 tddft_ac_co.out.nwparse -rw-r--r--. 1 mockbuild mock 2367 Jul 23 09:46 tddft_h2o.err -rw-r--r--. 1 mockbuild mock 44710 Jul 23 09:46 tddft_h2o.ok.out -rw-r--r--. 1 mockbuild mock 50748 Jul 23 09:46 tddft_h2o.out -rw-r--r--. 1 mockbuild mock 2367 Jul 23 09:46 tddft_n2+.err -rw-r--r--. 1 mockbuild mock 52367 Jul 23 09:46 tddft_n2+.ok.out -rw-r--r--. 1 mockbuild mock 50297 Jul 23 09:46 tddft_n2+.out ++ grep Running ++ cut '-d ' -f 4 +++ grep 'Running tests/' ../doafewqmtests.mpi.2_mpich.log ++ diff /dev/fd/63 /dev/fd/62 +++ grep -E 'Running tests/|verifying output ... OK' ../doafewqmtests.mpi.2_mpich.log +++ grep 'verifying output' -B 1 +++ grep Running + for f in $(diff <(grep "Running tests/" ${BUILD_LOG}) <(grep -E "Running tests/|verifying output ... OK" ${BUILD_LOG} | grep "verifying output" -B 1 | grep Running) | grep Running | cut -d' ' -f 4) ################################################################################ + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo ++ basename tests/h2o_opt/h2o_opt + NAME=h2o_opt ../testoutputs.doafewqmtests.mpi.2_mpich.log/h2o_opt.out ################################################################################ + echo ../testoutputs.doafewqmtests.mpi.2_mpich.log/h2o_opt.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/h2o_opt.out host: builder1.x64.stream.opencloudos.tech [mpiexec@builder1.x64.stream.opencloudos.tech] Timeout set to -1 (-1 means infinite) ================================================================================================== mpiexec options: ---------------- Base path: /usr/lib64/mpich/bin/ Launcher: (null) Debug level: 1 Enable X: -1 Global environment: ------------------- NWCHEM_TARGET=LINUX64 SHELL=/bin/bash RPM_SOURCE_DIR=/builddir/build/SOURCES HISTCONTROL=ignoredups MPI_LIB=/usr/lib64/mpich/lib OMPI_MCA_rmaps_base_oversubscribe=1 PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig HOSTNAME=builder1.x64.stream.opencloudos.tech HISTSIZE=1000 _ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo= __LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1 OMPI_MCA_btl=^uct HYDRA_DEBUG=0 LMOD_DIR=/usr/share/lmod/lmod/libexec FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir LOGNAME=mockbuild MODULESHOME=/usr/share/lmod/lmod MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man MPI_COMPILER=mpich-x86_64 MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich CXX=g++ CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection MPI_INCLUDE=/usr/include/mpich-x86_64 RPM_ARCH=x86_64 MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich MPI_HOME=/usr/lib64/mpich __LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1 LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 HOME=/builddir _ModuleTable_Sz_=2 LANG=C __LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1 RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 LMOD_SETTARG_FULL_SUPPORT=no PROMPT_COMMAND=printf "\033]0;\007" RPM_PACKAGE_RELEASE=1.ocs23 LMOD_VERSION=8.7.31 MPI_SYSCONFIG=/etc/mpich-x86_64 RPM_OS=linux NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/ USE_LIBXC=True MODULEPATH_ROOT=/usr/share/modulefiles LT_SYS_LIBRARY_PATH=/usr/lib64: MALLOC_PERTURB_=246 MPI_SUFFIX=_mpich FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules LMOD_PKG=/usr/share/lmod/lmod TERM=vt100 FLEXIBLAS=openblas-openmp LESSOPEN=||/usr/bin/lesspipe.sh %s USER=mockbuild TIMEOUT_OPTS=--preserve-status --kill-after 10 1800 NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/ MPI_PYTHON_SITEARCH=@py2sitearch@/mpich LOADEDMODULES=mpi/mpich-x86_64 LMOD_ROOT=/usr/share/lmod SHLVL=3 RPM_BUILD_DIR=/builddir/build/BUILD BASH_ENV=/usr/share/lmod/lmod/init/bash LMOD_sys=Linux MPI_BIN=/usr/lib64/mpich/bin RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection __LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1 NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich RPM_DOC_DIR=/usr/share/doc _ModuleTable001_=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 LD_LIBRARY_PATH=/usr/lib64/mpich/lib MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec OMPI_MCA_btl_base_warn_component_unused=0 RPM_PACKAGE_VERSION=7.2.2 MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich MPI_MAN=/usr/share/man/mpich-x86_64 which_declare=declare -f MPIRUN_NPOPT=-verbose -np CONFIG_SITE=NONE PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core CC=gcc _LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64 CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod MAIL=/var/spool/mail/mockbuild __LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1 RPM_BUILD_NCPUS=32 RPM_PACKAGE_NAME=nwchem NPROC=2 RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" } BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ } BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status } _=/usr/lib64/mpich/bin/mpiexec Hydra internal environment: --------------------------- GFORTRAN_UNBUFFERED_PRECONNECTED=y Proxy information: ********************* [1] proxy: builder1.x64.stream.opencloudos.tech (1 cores) Exec list: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich (2 processes); ================================================================================================== [mpiexec@builder1.x64.stream.opencloudos.tech] Got a control port string of builder1.x64.stream.opencloudos.tech:45261 Proxy launch args: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:45261 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id Arguments being passed to proxy 0: --version 4.1.1 --iface-ip-env-name MPIR_CVAR_CH3_INTERFACE_HOSTNAME --hostname builder1.x64.stream.opencloudos.tech --global-core-map 0,1,1 --pmi-id-map 0,0 --global-process-count 2 --auto-cleanup 1 --pmi-kvsname kvs_685109_0_1638060829_builder1.x64.stream.opencloudos.tech --pmi-process-mapping (vector,(0,1,2)) --global-inherited-env 93 'NWCHEM_TARGET=LINUX64' 'SHELL=/bin/bash' 'RPM_SOURCE_DIR=/builddir/build/SOURCES' 'HISTCONTROL=ignoredups' 'MPI_LIB=/usr/lib64/mpich/lib' 'OMPI_MCA_rmaps_base_oversubscribe=1' 'PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig' 'HOSTNAME=builder1.x64.stream.opencloudos.tech' 'HISTSIZE=1000' '_ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo=' '__LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1' 'OMPI_MCA_btl=^uct' 'HYDRA_DEBUG=0' 'LMOD_DIR=/usr/share/lmod/lmod/libexec' 'FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir' 'LOGNAME=mockbuild' 'MODULESHOME=/usr/share/lmod/lmod' 'MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man' 'MPI_COMPILER=mpich-x86_64' 'MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich' 'CXX=g++' 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'MPI_INCLUDE=/usr/include/mpich-x86_64' 'RPM_ARCH=x86_64' 'MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich' 'MPI_HOME=/usr/lib64/mpich' '__LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' 'LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'HOME=/builddir' '_ModuleTable_Sz_=2' 'LANG=C' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' 'RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'LMOD_SETTARG_FULL_SUPPORT=no' 'PROMPT_COMMAND=printf "\033]0;\007"' 'RPM_PACKAGE_RELEASE=1.ocs23' 'LMOD_VERSION=8.7.31' 'MPI_SYSCONFIG=/etc/mpich-x86_64' 'RPM_OS=linux' 'NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/' 'USE_LIBXC=True' 'MODULEPATH_ROOT=/usr/share/modulefiles' 'LT_SYS_LIBRARY_PATH=/usr/lib64:' 'MALLOC_PERTURB_=246' 'MPI_SUFFIX=_mpich' 'FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'LMOD_PKG=/usr/share/lmod/lmod' 'TERM=vt100' 'FLEXIBLAS=openblas-openmp' 'LESSOPEN=||/usr/bin/lesspipe.sh %s' 'USER=mockbuild' 'TIMEOUT_OPTS=--preserve-status --kill-after 10 1800' 'NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/' 'MPI_PYTHON_SITEARCH=@py2sitearch@/mpich' 'LOADEDMODULES=mpi/mpich-x86_64' 'LMOD_ROOT=/usr/share/lmod' 'SHLVL=3' 'RPM_BUILD_DIR=/builddir/build/BUILD' 'BASH_ENV=/usr/share/lmod/lmod/init/bash' 'LMOD_sys=Linux' 'MPI_BIN=/usr/lib64/mpich/bin' 'RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' '__LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1' 'NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich' 'RPM_DOC_DIR=/usr/share/doc' '_ModuleTable001_=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' 'LD_LIBRARY_PATH=/usr/lib64/mpich/lib' 'MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec' 'OMPI_MCA_btl_base_warn_component_unused=0' 'RPM_PACKAGE_VERSION=7.2.2' 'MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich' 'MPI_MAN=/usr/share/man/mpich-x86_64' 'which_declare=declare -f' 'MPIRUN_NPOPT=-verbose -np' 'CONFIG_SITE=NONE' 'PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core' 'CC=gcc' '_LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64' 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod' 'MAIL=/var/spool/mail/mockbuild' '__LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1' 'RPM_BUILD_NCPUS=32' 'RPM_PACKAGE_NAME=nwchem' 'NPROC=2' 'RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64' 'OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA' 'BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" }' 'BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ }' 'BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status }' '_=/usr/lib64/mpich/bin/mpiexec' --global-user-env 0 --global-system-env 1 'GFORTRAN_UNBUFFERED_PRECONNECTED=y' --proxy-core-count 1 --exec --exec-appnum 0 --exec-proc-count 2 --exec-local-env 0 --exec-wdir /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir --exec-args 2 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/h2o_opt/h2o_opt.nw [mpiexec@builder1.x64.stream.opencloudos.tech] Launch arguments: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:45261 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id 0 cmd=init pmi_version=1 pmi_subversion=1 cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 cmd=init pmi_version=1 pmi_subversion=1 cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 cmd=get_maxes cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 cmd=get_maxes cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 cmd=get_appnum cmd=appnum rc=0 appnum=0 cmd=get_appnum cmd=appnum rc=0 appnum=0 cmd=get_my_kvsname cmd=my_kvsname rc=0 kvsname=kvs_685109_0_1638060829_builder1.x64.stream.opencloudos.tech cmd=get_my_kvsname cmd=my_kvsname rc=0 kvsname=kvs_685109_0_1638060829_builder1.x64.stream.opencloudos.tech cmd=get kvsname=kvs_685109_0_1638060829_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE cmd=get kvsname=kvs_685109_0_1638060829_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE cmd=get kvsname=kvs_685109_0_1638060829_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_x9LUMh found=TRUE cmd=get kvsname=kvs_685109_0_1638060829_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_x9LUMh found=TRUE cmd=barrier_in cmd=put kvsname=kvs_685109_0_1638060829_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 value=2F6465762F73686D2F6D706963685F736861725F746D705A743963346E00 cmd=put_result rc=0 cmd=barrier_in cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D705A743963346E00 cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D705A743963346E00 [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D705A743963346E00 cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D705A743963346E00 [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out cmd=barrier_out cmd=barrier_out cmd=get kvsname=kvs_685109_0_1638060829_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 cmd=get_result rc=0 value=2F6465762F73686D2F6D706963685F736861725F746D705A743963346E00 found=TRUE cmd=put kvsname=kvs_685109_0_1638060829_builder1.x64.stream.opencloudos.tech key=P0-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#51477$ifname#172.16.0.28$ cmd=put_result rc=0 cmd=put kvsname=kvs_685109_0_1638060829_builder1.x64.stream.opencloudos.tech key=P1-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#44185$ifname#172.16.0.28$ cmd=put_result rc=0 cmd=barrier_in cmd=barrier_in cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#51477$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#44185$ifname#172.16.0.28$ cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#51477$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#44185$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#51477$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#44185$ifname#172.16.0.28$ cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#51477$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#44185$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out cmd=barrier_out cmd=barrier_out cmd=barrier_in cmd=barrier_in cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out cmd=barrier_out cmd=barrier_out argument 1 = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/h2o_opt/h2o_opt.nw ============================== echo of input deck ============================== echo start h2o_opt_dat geometry h2o_c1 units angstroms symmetry c1 zmatrix O H 1 OH1 H 1 OH2 2 HOH variables HOH 108.0 OH1 1.2 constants OH2 1.2 end end geometry h2o_c2v units angstroms zmatrix O H 1 OH1 H 1 OH2 2 HOH variables HOH 108.0 OH1 1.2 constants OH2 1.2 end end geometry h2o_cs units angstroms zmatrix O H 1 OH1 Sending upstream hdr.cmd = CMD_STDOUT H1 1 OH2 2 HOH variables HOH 108.0 OH1 1.2 constants OH2 1.2 end end geometry h2o_cart units angstrom O 0.00000000 0.00000000 -0.14106846 H -0.97082039 0.00000000 0.56427384 H 0.97082039 0.00000000 0.56427384 end geometry h2o_cart adjust zcoord bond 1 3 1.2 r constant end end basis * library 6-31G* end driver clear end set geometry h2o_c1 task scf optimize driver clear end set geometry h2o_c2v task scf optimize driver clear end set geometry h2o_cs task scf optimize driver clear end set geometry h2o_cart task scf optimize ================================================================================ Northwest Computational Chemistry Package (NWChem) 7.2.2 -------------------------------------------------------- Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352 Copyright (c) 1994-2022 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the Educational Community License (ECL) 2.0 A copy of the license is included with this distribution in the LICENSE.TXT file ACKNOWLEDGMENT -------------- This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing. Job information --------------- hostname = builder1.x64.stream.opencloudos.tech program = nwchem_binary_mpich date = Tue Jul 23 09:44:05 2024 compiled = Tue_Jul_23_08:39:25_2024 source = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 nwchem branch = 7.2.2 nwchem revision = N/A ga revision = 5.8.0 use scalapack = T input = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/h2o_opt/h2o_opt.nw prefix = h2o_opt_dat. data base = ./h2o_opt_dat.db status = startup nproc = 2 time left = -1s Memory information ------------------ heap = 26214400 doubles = 200.0 Mbytes stack = 26214397 doubles = 200.0 Mbytes global = 52428800 doubles = 400.0 Mbytes (distinct from heap & stack) total = 104857597 doubles = 800.0 Mbytes verify = yes hardfail = no Directory information --------------------- 0 permanent = . 0 scratch = . NWChem Input Module ------------------- Scaling coordinates for geometry "h2o_c1" by 1.889725989 (inverse scale = 0.529177249) Turning off AUTOSYM since SYMMETRY directive was detected! Geometry "h2o_c1" -> "" ----------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.11412678 0.00000000 -0.08291796 2 H 1.0000 -0.11412678 0.00000000 1.11708204 3 H 1.0000 1.02714104 0.00000000 -0.45373835 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 7.3282379250 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value ----------- -------- ----- ----- ----- ----- ----- ---------- 1 Stretch OH1 2 1 1.20000 2*Stretch OH2 3 1 1.20000 3 Bend HOH 3 1 2 108.00000 XYZ format geometry ------------------- 3 h2o_c1 O -0.11412678 0.00000000 -0.08291796 H -0.11412678 0.00000000 1.11708204 H 1.02714104 0.00000000 -0.45373835 Scaling coordinates for geometry "h2o_c2v" by 1.889725989 (inverse scale = 0.529177249) CS symmetry detected Geometry "h2o_c2v" -> " " ------------------------------ Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.14106846 -0.00000000 0.00000000 2 H 1.0000 0.56427384 -0.97082039 0.00000000 3 H 1.0000 0.56427384 0.97082039 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 7.3282379250 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value ----------- -------- ----- ----- ----- ----- ----- ---------- 1 Stretch OH1 2 1 1.20000 2*Stretch OH2 3 1 1.20000 3 Bend HOH 3 1 2 108.00000 XYZ format geometry ------------------- 3 h2o_c2v O -0.14106846 -0.00000000 0.00000000 H 0.56427384 -0.97082039 0.00000000 H 0.56427384 0.97082039 0.00000000 Scaling coordinates for geometry "h2o_cs" by 1.889725989 (inverse scale = 0.529177249) CS symmetry detected Geometry "h2o_cs" -> " " ------------------------------ Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.14106846 -0.00000000 0.00000000 2 H 1.0000 0.56427384 -0.97082039 0.00000000 3 H1 1.0000 0.56427384 0.97082039 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 H1 1.007825 Effective nuclear repulsion energy (a.u.) 7.3282379250 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value ----------- -------- ----- ----- ----- ----- ----- ---------- 1 Stretch OH1 2 1 1.20000 2*Stretch OH2 3 1 1.20000 3 Bend HOH 3 1 2 108.00000 XYZ format geometry ------------------- 3 h2o_cs O -0.14106846 -0.00000000 0.00000000 H 0.56427384 -0.97082039 0.00000000 H1 0.56427384 0.97082039 0.00000000 Scaling coordinates for geometry "h2o_cart" by 1.889725989 (inverse scale = 0.529177249) C2V symmetry detected ------ auto-z ------ no constraints, skipping 0.0000000000000000 no constraints, skipping 0.0000000000000000 Geometry "h2o_cart" -> " " ------------------------------- Sending upstream hdr.cmd = CMD_STDOUT No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 0.00000000 0.00000000 -0.14106846 Sending upstream hdr.cmd = CMD_STDOUT 2 H 1.0000 -0.97082039 0.00000000 0.56427384 3 H 1.0000 0.97082039 0.00000000 0.56427384 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 7.3282379508 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Symmetry information -------------------- Group name C2v Group number 16 Group order 4 No. of unique centers 2 Symmetry unique atoms 1 2 Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Type Name I J K L M Value ----------- -------- ----- ----- ----- ----- ----- ---------- 1 Stretch 1 2 1.20000 2 Stretch 1 3 1.20000 3 Bend 2 1 3 108.00000 XYZ format geometry ------------------- 3 h2o_cart O 0.00000000 0.00000000 -0.14106846 H -0.97082039 0.00000000 0.56427384 H 0.97082039 0.00000000 0.56427384 Adjusting existing geometry named h2o_cart -------------------------------------------------- i j k l value name frz --- --- --- --- ------------ -------- --- Sending upstream hdr.cmd = CMD_STDOUT 1 3 1.200000 r T CS symmetry detected ------ auto-z ------ Geometry "h2o_cart" -> "h2o_cart" --------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.14106846 -0.00000000 0.00000000 2 H 1.0000 0.56427384 -0.97082039 0.00000000 3 H 1.0000 0.56427384 0.97082039 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 7.3282379379 Nuclear Dipole moment (a.u.) ---------------------------- Sending upstream hdr.cmd = CMD_STDOUT X Y Z ---------------- ---------------- ---------------- -0.0000000110 -0.0000000197 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value ----------- -------- ----- ----- ----- ----- ----- ---------- 1*Stretch r 1 3 1.20000 2 Stretch 1 2 1.20000 3 Bend 2 1 3 108.00000 XYZ format geometry ------------------- 3 h2o_cart O -0.14106846 -0.00000000 0.00000000 H 0.56427384 -0.97082039 0.00000000 H 0.56427384 0.97082039 0.00000000 library name resolved from: environment library file name is: Summary of "ao basis" -> "" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- * 6-31G* on all atoms Deleted DRIVER restart files NWChem Geometry Optimization ---------------------------- maximum gradient threshold (gmax) = 0.000450 rms gradient threshold (grms) = 0.000300 maximum cartesian step threshold (xmax) = 0.001800 rms cartesian step threshold (xrms) = 0.001200 fixed trust radius (trust) = 0.300000 maximum step size to saddle (sadstp) = 0.100000 energy precision (eprec) = 1.0D-07 maximum number of steps (nptopt) = 40 initial hessian option (inhess) = 0 line search option (linopt) = 1 hessian update option (modupd) = 1 saddle point option (modsad) = 0 initial eigen-mode to follow (moddir) = 0 initial variable to follow (vardir) = 0 follow first negative mode (firstneg) = T apply conjugacy (opcg) = F source of zmatrix = user ------------------- Energy Minimization ------------------- Names of Z-matrix variables 1 OH1 2 OH2 3 HOH Variables with the same non-blank name are constrained to be equal Number of frozen variables = 1 Frozen variables = 2 Using diagonal initial Hessian Scaling for Hessian diagonals: bonds = 1.00 angles = 0.25 torsions = 0.10 -------- Step 0 -------- Geometry "geometry" -> "h2o_c1" ------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.11412678 0.00000000 -0.08291796 2 H 1.0000 -0.11412678 0.00000000 1.11708204 3 H 1.0000 1.02714104 0.00000000 -0.45373835 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 7.3282379250 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Basis "ao basis" -> "ao basis" (cartesian) ----- O (Oxygen) ---------- -------------- --------------------------------------------------------- 1 S 5.48467170E+03 0.001831 Sending upstream hdr.cmd = CMD_STDOUT 1 S 1.88046960E+02 0.068445 1 S 5.29645000E+01 0.232714 Sending upstream hdr.cmd = CMD_STDOUT 1 S 1.68975700E+01 0.470193 1 S 5.79963530E+00 0.358521 2 S 1.55396160E+01 -0.110778 2 S 3.59993360E+00 -0.148026 2 S 1.01376180E+00 1.130767 3 P 1.55396160E+01 0.070874 3 P 3.59993360E+00 0.339753 3 P 1.01376180E+00 0.727159 4 S 2.70005800E-01 1.000000 5 P 2.70005800E-01 1.000000 6 D 8.00000000E-01 1.000000 H (Hydrogen) ------------ Exponent Coefficients -------------- --------------------------------------------------------- 1 S 1.87311370E+01 0.033495 1 S 2.82539370E+00 0.234727 1 S 6.40121700E-01 0.813757 2 S 1.61277800E-01 1.000000 Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = atomic output vectors = ./h2o_opt_dat.movecs use symmetry = F symmetry adapt = F Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Forming initial guess at 0.1s Superposition of Atomic Density Guess ------------------------------------- Sum of atomic energies: -75.75081731 Non-variational initial energy ------------------------------ Total energy = -75.502009 1-e energy = -118.566474 2-e energy = 35.736228 HOMO = -0.415525 LUMO = 0.027881 Starting SCF solution at 0.1s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.8791657861 8.72D-01 3.99D-01 0.1 2 -75.9233873319 2.34D-01 1.39D-01 0.2 3 -75.9275276309 5.80D-02 3.20D-02 0.3 4 -75.9278874215 1.89D-03 7.72D-04 0.5 5 -75.9278877753 9.78D-06 5.17D-06 0.7 Final RHF results ------------------ Total SCF energy = -75.927887775290 One-electron energy = -119.592295077708 Two-electron energy = 36.336169377460 Nuclear repulsion energy = 7.328237924958 Sending upstream hdr.cmd = CMD_STDOUT Final eigenvalues ----------------- 1 1 -20.6012 2 -1.2501 3 -0.5989 4 -0.5216 Sending upstream hdr.cmd = CMD_STDOUT 5 -0.4882 6 0.1453 7 0.2280 8 0.9418 9 0.9530 10 1.1327 11 1.1677 12 1.3621 13 1.4022 14 2.0765 15 2.0800 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.250098D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.511378 1 O s 2 0.490735 1 O s 1 -0.217990 1 O s Sending upstream hdr.cmd = CMD_STDOUT Vector 3 Occ=2.000000D+00 E=-5.988835D-01 MO Center= 1.0D-01, 3.0D-18, 7.5D-02, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.380802 1 O pz 3 -0.276669 1 O px 9 0.271273 1 O pz 16 0.206756 2 H s 18 -0.206756 3 H s 7 -0.197091 1 O px 17 0.171529 2 H s 19 -0.171529 3 H s Vector 4 Occ=2.000000D+00 E=-5.215889D-01 MO Center= -4.9D-02, 5.4D-17, -3.6D-02, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.428880 1 O px 7 0.327844 1 O px 5 0.311599 1 O pz 6 -0.258525 1 O s 9 0.238192 1 O pz Vector 5 Occ=2.000000D+00 E=-4.882251D-01 MO Center= -1.0D-01, 5.5D-17, -7.5D-02, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.649346 1 O py 8 0.501328 1 O py Vector 6 Occ=0.000000D+00 E= 1.452810D-01 MO Center= 4.6D-01, -1.4D-17, 3.3D-01, r^2= 2.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.922166 1 O s 17 -0.822330 2 H s 19 -0.822330 3 H s 7 0.403664 1 O px 9 0.293279 1 O pz 3 0.242904 1 O px 5 0.176480 1 O pz Vector 7 Occ=0.000000D+00 E= 2.280099D-01 MO Center= 4.3D-01, 1.0D-16, 3.1D-01, r^2= 2.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 0.973822 2 H s 19 -0.973822 3 H s 9 -0.583856 1 O pz 7 0.424196 1 O px 5 -0.317589 1 O pz 3 0.230742 1 O px Vector 8 Occ=0.000000D+00 E= 9.418224D-01 MO Center= 4.9D-01, -1.0D-16, 3.5D-01, r^2= 1.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 0.818471 2 H s 18 0.818471 3 H s 6 0.776887 1 O s 17 -0.770740 2 H s 19 -0.770740 3 H s 2 -0.344766 1 O s 3 -0.248279 1 O px 13 -0.186019 1 O dyy 5 -0.180385 1 O pz Vector 9 Occ=0.000000D+00 E= 9.530190D-01 MO Center= 3.6D-01, 2.0D-17, 2.6D-01, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 -0.886074 2 H s 19 0.886074 3 H s 16 0.835935 2 H s 18 -0.835935 3 H s 5 -0.216824 1 O pz 10 -0.161271 1 O dxx 15 0.161271 1 O dzz 3 0.157532 1 O px Vector 10 Occ=0.000000D+00 E= 1.132664D+00 MO Center= -5.1D-01, -3.0D-15, -3.7D-01, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.112031 1 O s 2 -1.063369 1 O s 3 0.523283 1 O px 7 -0.458492 1 O px 5 0.380188 1 O pz 10 -0.377738 1 O dxx 15 -0.375208 1 O dzz 13 -0.364923 1 O dyy 9 -0.333114 1 O pz 17 -0.259808 2 H s Vector 11 Occ=0.000000D+00 E= 1.167741D+00 MO Center= -1.1D-01, 3.3D-15, -8.1D-02, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 -1.041171 1 O py 4 0.956240 1 O py Vector 12 Occ=0.000000D+00 E= 1.362147D+00 MO Center= -2.2D-01, -3.5D-16, -1.6D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.149523 1 O pz 7 -0.835178 1 O px 5 -0.788096 1 O pz 3 0.572586 1 O px 17 -0.428748 2 H s 19 0.428748 3 H s Sending upstream hdr.cmd = CMD_STDOUT Vector 13 Occ=0.000000D+00 E= 1.402186D+00 MO Center= 3.1D-01, -2.0D-16, 2.2D-01, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.478930 1 O s 2 -1.111258 1 O s 7 0.899503 1 O px 9 0.653527 1 O pz 3 -0.558006 1 O px 15 -0.482553 1 O dzz 17 -0.430086 2 H s 19 -0.430086 3 H s 10 -0.413106 1 O dxx 5 -0.405415 1 O pz Vector 14 Occ=0.000000D+00 E= 2.076462D+00 MO Center= -1.4D-01, 5.1D-18, -1.0D-01, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.488492 1 O dxz 10 0.468512 1 O dxx 13 -0.409762 1 O dyy Vector 15 Occ=0.000000D+00 E= 2.079961D+00 MO Center= -1.1D-01, 3.2D-16, -8.3D-02, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.401259 1 O dyz 11 -1.018074 1 O dxy center of mass -------------- x = -0.09498584 y = 0.00000000 z = -0.06901125 moments of inertia (a.u.) ------------------ 5.538998551460 0.000000000000 1.713699319360 0.000000000000 9.964367778357 0.000000000000 1.713699319360 0.000000000000 4.425369226898 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.77 2.00 0.92 2.70 0.99 2.12 0.05 2 H 1 0.61 0.37 0.25 3 H 1 0.61 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.722181 0.000000 0.000000 1 0 1 0 -0.000000 0.000000 0.000000 1 0 0 1 0.524696 0.000000 0.000000 2 2 0 0 -3.856568 0.000000 4.186155 2 1 1 0 -0.000000 0.000000 0.000000 2 1 0 1 -0.954118 0.000000 -1.849229 2 0 2 0 -5.718027 0.000000 0.000000 2 0 1 1 -0.000000 0.000000 0.000000 2 0 0 2 -3.236545 0.000000 5.387857 NWChem Gradients Module ----------------------- wavefunction = RHF RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.215668 0.000000 -0.156692 -0.109623 -0.000000 -0.079646 2 H -0.215668 0.000000 2.110979 -0.011706 0.000000 0.131376 3 H 1.941015 0.000000 -0.857441 0.121329 -0.000000 -0.051731 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- @ Step Energy Delta E Gmax Grms Xrms Xmax Walltime @ ---- ---------------- -------- -------- -------- -------- -------- -------- Internal coordinate gradient before constraints Sending upstream hdr.cmd = CMD_STDOUT Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 1.20000 0.13138 2*Stretch OH2 3 1 1.20000 0.13138 3 Bend HOH 3 1 2 108.00000 0.01405 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 1.20000 0.13138 2*Stretch OH2 3 1 1.20000 -0.00000 3 Bend HOH 3 1 2 108.00000 0.01405 Restricting large step in mode 1 eval= 2.3D-01 step=-5.8D-01 new=-3.0D-01 Restricting large step in mode 3 eval= 4.4D-02 step=-3.2D-01 new=-3.0D-01 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = F symmetry adapt = F Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Forming initial guess at 0.9s Loading old vectors from job with title : Starting SCF solution at 0.9s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9563150804 2.79D-01 1.06D-01 0.8 2 -75.9617716862 9.96D-02 5.08D-02 0.9 3 -75.9625365000 6.82D-03 2.66D-03 1.0 4 -75.9625416833 2.77D-05 1.40D-05 1.3 Final RHF results ------------------ Total SCF energy = -75.962541683317 One-electron energy = -120.645755048175 Two-electron energy = 36.779488764216 Nuclear repulsion energy = 7.903724600642 Time for solution = 0.5s Final eigenvalues ----------------- 1 1 -20.5936 2 -1.2825 3 -0.6256 4 -0.5474 5 -0.4943 6 0.1631 7 0.2560 8 0.9334 9 1.0391 10 1.1310 11 1.1650 12 1.3466 13 1.4545 14 2.0427 15 2.0667 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.282468D+00 MO Center= -6.3D-02, -5.8D-17, 6.8D-02, r^2= 5.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.490473 1 O s 2 0.483812 1 O s 1 -0.214597 1 O s Vector 3 Occ=2.000000D+00 E=-6.255617D-01 MO Center= 2.5D-02, -3.0D-16, 9.5D-02, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 0.246684 2 H s 17 0.163486 2 H s 18 -0.162871 3 H s Vector 4 Occ=2.000000D+00 E=-5.474474D-01 MO Center= -2.1D-02, 3.5D-16, -8.9D-02, r^2= 8.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT 6 -0.270062 1 O s 18 0.198693 3 H s Sending upstream hdr.cmd = CMD_STDOUT 5 0.188588 1 O pz 19 0.187609 3 H s 2 -0.152031 1 O s Vector 5 Occ=2.000000D+00 E=-4.942733D-01 MO Center= -1.5D-01, 9.4D-17, -3.3D-02, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.647031 1 O py 8 0.503689 1 O py Vector 6 Occ=0.000000D+00 E= 1.631210D-01 MO Center= 7.4D-01, -5.8D-18, 2.1D-02, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.038692 3 H s 6 0.977095 1 O s 17 -0.626167 2 H s 7 0.528378 1 O px 3 0.302578 1 O px Vector 7 Occ=0.000000D+00 E= 2.560377D-01 MO Center= 1.9D-01, -2.3D-19, 7.9D-01, r^2= 2.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.414480 2 H s 19 -0.755100 3 H s 9 -0.678858 1 O pz 6 -0.474111 1 O s 5 -0.325553 1 O pz 7 0.262157 1 O px Vector 8 Occ=0.000000D+00 E= 9.333521D-01 MO Center= 7.7D-01, 7.7D-17, -2.8D-01, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.151533 3 H s 18 1.091719 3 H s 6 0.463055 1 O s 16 -0.414331 2 H s 17 0.408587 2 H s 3 -0.227861 1 O px 2 -0.188981 1 O s Vector 9 Occ=0.000000D+00 E= 1.039063D+00 MO Center= 9.1D-02, 1.4D-16, 6.7D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 1.101203 2 H s 17 -0.889372 2 H s 6 0.870281 1 O s 2 -0.475738 1 O s 18 0.367592 3 H s 19 -0.364360 3 H s 13 -0.237577 1 O dyy 3 -0.228367 1 O px 5 -0.201240 1 O pz 9 -0.195514 1 O pz Vector 10 Occ=0.000000D+00 E= 1.131016D+00 MO Center= -5.6D-01, 1.8D-15, -3.4D-01, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.972767 1 O s 2 -0.985073 1 O s 3 0.548916 1 O px 7 -0.480400 1 O px 5 0.435003 1 O pz 15 -0.372763 1 O dzz 9 -0.356887 1 O pz 10 -0.350621 1 O dxx 13 -0.333305 1 O dyy 19 -0.202717 3 H s Vector 11 Occ=0.000000D+00 E= 1.165040D+00 MO Center= -1.6D-01, -6.4D-16, -4.2D-02, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 -1.039901 1 O py 4 0.957804 1 O py Vector 12 Occ=0.000000D+00 E= 1.346638D+00 MO Center= -2.5D-01, -1.6D-16, -2.0D-03, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.216203 1 O pz 5 -0.832196 1 O pz 7 -0.764849 1 O px 17 -0.737986 2 H s 3 0.550297 1 O px 19 0.473081 3 H s 6 0.379321 1 O s Vector 13 Occ=0.000000D+00 E= 1.454526D+00 MO Center= 2.4D-01, -1.6D-15, 2.2D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.738585 1 O s 2 -1.159917 1 O s 7 0.963198 1 O px 9 0.738048 1 O pz 17 -0.636732 2 H s 3 -0.543805 1 O px 15 -0.510592 1 O dzz 10 -0.459233 1 O dxx 18 -0.439555 3 H s 16 -0.383828 2 H s Vector 14 Occ=0.000000D+00 E= 2.042679D+00 MO Center= -1.9D-01, -3.0D-17, -6.8D-02, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.552725 1 O dxz 10 0.449084 1 O dxx 13 -0.243060 1 O dyy 15 -0.165937 1 O dzz Vector 15 Occ=0.000000D+00 E= 2.066750D+00 MO Center= -1.6D-01, 3.2D-16, -5.4D-02, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.681657 1 O dyz 11 -0.413940 1 O dxy center of mass -------------- x = -0.16549147 y = 0.00000000 z = -0.00863500 moments of inertia (a.u.) Sending upstream hdr.cmd = CMD_STDOUT ------------------ 4.117542627040 0.000000000000 1.072650861746 0.000000000000 8.654144252224 0.000000000000 1.072650861746 0.000000000000 4.536601625184 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.80 2.00 0.92 2.75 0.98 2.09 0.06 2 H 1 0.58 0.43 0.15 3 H 1 0.63 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 1 1 0 0 0.791681 0.000000 -0.593105 1 0 1 0 -0.000000 0.000000 0.000000 Sending upstream hdr.cmd = CMD_STDOUT 1 0 0 1 0.521787 0.000000 0.507895 2 2 0 0 -3.876435 0.000000 4.280567 2 1 1 0 0.000000 0.000000 0.000000 2 1 0 1 -0.629292 0.000000 -1.237711 2 0 2 0 -5.609124 0.000000 0.000000 2 0 1 1 -0.000000 0.000000 0.000000 2 0 0 2 -3.557513 0.000000 4.031190 Line search: step= 1.00 grad=-4.4D-02 hess= 9.0D-03 energy= -75.962542 mode=downhill new step= 2.43 predicted energy= -75.980916 -------- Step 1 -------- Geometry "geometry" -> "h2o_c1" Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z Sending upstream hdr.cmd = CMD_STDOUT ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.20488995 0.00000000 0.02859558 2 H 1.0000 0.04205102 0.00000000 0.80431515 3 H 1.0000 0.96172640 0.00000000 -0.25248501 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 9.1058487132 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -1.2006225771 0.0000000000 1.4751102692 ----------------- ao basis = "ao basis" functions = 19 atoms = 3 Sending upstream hdr.cmd = CMD_STDOUT closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs symmetry adapt = F Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Forming initial guess at 1.5s Loading old vectors from job with title : Starting SCF solution at 1.5s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9105742205 5.68D-01 2.21D-01 1.4 2 -75.9307991427 1.90D-01 9.41D-02 1.5 3 -75.9334859670 1.18D-02 5.83D-03 1.6 4 -75.9335027762 6.84D-05 3.09D-05 1.8 Final RHF results ------------------ Total SCF energy = -75.933502776250 One-electron energy = -122.681593584964 Two-electron energy = 37.642242095488 Nuclear repulsion energy = 9.105848713226 Time for solution = 0.5s Final eigenvalues ----------------- 1 1 -20.5754 2 -1.3672 3 -0.6753 4 -0.5736 5 -0.5069 6 0.1605 7 0.3009 8 0.9040 9 1.1117 10 1.1618 11 1.2397 12 1.4384 13 1.5049 14 1.9957 15 2.0329 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.367210D+00 MO Center= -7.3D-02, -7.0D-17, 2.2D-01, r^2= 4.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.472250 1 O s 6 0.418977 1 O s 1 -0.208278 1 O s 16 0.192102 2 H s Vector 3 Occ=2.000000D+00 E=-6.753243D-01 MO Center= -1.1D-01, -5.0D-16, 3.9D-03, r^2= 6.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.538302 1 O pz 6 -0.307660 1 O s 9 0.306473 1 O pz 16 0.267366 2 H s Vector 4 Occ=2.000000D+00 E=-5.736443D-01 MO Center= 3.0D-02, 5.8D-16, -3.0D-02, r^2= 9.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.497391 1 O px 7 0.375148 1 O px 18 0.242129 3 H s 6 -0.224834 1 O s 19 0.222445 3 H s Vector 5 Occ=2.000000D+00 E=-5.069298D-01 MO Center= -1.9D-01, 1.7D-16, 4.5D-02, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.646387 1 O py 8 0.503935 1 O py Vector 6 Occ=0.000000D+00 E= 1.605251D-01 MO Center= 8.2D-01, -8.1D-18, -3.0D-02, r^2= 1.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.095422 3 H s 6 -0.964047 1 O s 7 -0.573155 1 O px 17 0.489434 2 H s 3 -0.321154 1 O px Vector 7 Occ=0.000000D+00 E= 3.009384D-01 MO Center= 2.1D-01, 7.9D-18, 1.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 2.006072 2 H s 6 -1.080712 1 O s 19 -0.754048 3 H s 9 -0.719760 1 O pz 5 -0.267094 1 O pz Vector 8 Occ=0.000000D+00 E= 9.039649D-01 MO Center= 7.5D-01, -9.5D-18, -2.5D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.167084 3 H s 18 1.063024 3 H s 6 0.672943 1 O s 16 -0.398346 2 H s 9 0.365910 1 O pz 3 -0.242021 1 O px 2 -0.214601 1 O s 17 0.189751 2 H s 7 0.183714 1 O px Vector 9 Occ=0.000000D+00 E= 1.111748D+00 MO Center= -4.2D-01, -9.2D-17, -4.0D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.804376 1 O s 2 -0.993603 1 O s 9 -0.709862 1 O pz 5 0.444544 1 O pz 19 -0.403379 3 H s 7 -0.389252 1 O px 16 0.386335 2 H s 13 -0.374746 1 O dyy 15 -0.347347 1 O dzz 3 0.339584 1 O px Vector 10 Occ=0.000000D+00 E= 1.161846D+00 MO Center= -2.0D-01, 1.6D-15, 2.9D-02, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 -1.039712 1 O py 4 0.958117 1 O py Vector 11 Occ=0.000000D+00 E= 1.239697D+00 MO Center= -2.7D-01, -1.0D-15, 2.0D-01, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 0.862099 1 O pz 16 -0.791885 2 H s 3 0.768824 1 O px 7 -0.674059 1 O px 19 0.505871 3 H s 6 0.490930 1 O s 17 -0.211496 2 H s 18 -0.197866 3 H s 15 -0.169611 1 O dzz Vector 12 Occ=0.000000D+00 E= 1.438385D+00 MO Center= -1.1D-01, 2.2D-17, 5.5D-01, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.362887 1 O s 17 -1.359668 2 H s 9 0.981627 1 O pz 5 -0.910154 1 O pz 2 -0.659681 1 O s 16 0.636706 2 H s 19 0.332310 3 H s 13 -0.302931 1 O dyy 7 -0.288779 1 O px 10 -0.178604 1 O dxx MO Center= 1.4D-01, -6.1D-16, 1.9D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function Sending upstream hdr.cmd = CMD_STDOUT 6 3.157879 1 O s 2 -1.176537 1 O s Sending upstream hdr.cmd = CMD_STDOUT 7 1.090798 1 O px 17 -0.991186 2 H s 9 0.772599 1 O pz 18 -0.577261 3 H s 16 -0.544481 2 H s 10 -0.532551 1 O dxx 15 -0.485116 1 O dzz 3 -0.476710 1 O px Vector 14 Occ=0.000000D+00 E= 1.995711D+00 MO Center= -2.2D-01, -1.2D-17, 1.4D-02, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.461521 1 O dxz 15 -0.487640 1 O dzz 10 0.436294 1 O dxx Vector 15 Occ=0.000000D+00 E= 2.032878D+00 MO Center= -2.1D-01, 7.1D-16, 7.3D-03, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.644425 1 O dyz 11 0.540331 1 O dxy center of mass -------------- x = -0.23771030 y = 0.00000000 z = 0.10634304 moments of inertia (a.u.) ------------------ 2.400740405161 0.000000000000 0.631560201166 0.000000000000 7.116025529062 0.000000000000 0.631560201166 0.000000000000 4.715285123901 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.78 2.00 0.92 2.86 0.94 2.00 0.07 2 H 1 0.57 0.54 0.03 3 H 1 0.65 0.38 0.27 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.873809 0.000000 -1.200623 1 0 1 0 -0.000000 0.000000 0.000000 1 0 0 1 0.466854 0.000000 1.475110 2 2 0 0 -3.833795 0.000000 4.508558 2 1 1 0 0.000000 0.000000 0.000000 2 1 0 1 -0.265729 0.000000 -0.913731 2 0 2 0 -5.431128 0.000000 0.000000 2 0 1 1 -0.000000 0.000000 0.000000 2 0 0 2 -3.907107 0.000000 2.561214 NWChem Gradients Module ----------------------- wavefunction = RHF RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.387186 0.000000 0.054038 -0.080716 0.000000 0.262545 2 H 0.079465 0.000000 1.519935 -0.042529 0.000000 -0.259497 3 H 1.817399 0.000000 -0.477127 0.123245 -0.000000 -0.003047 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Internal coordinate gradient before constraints Sending upstream hdr.cmd = CMD_STDOUT Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.81408 -0.26017 2*Stretch OH2 3 1 1.20000 0.12053 3 Bend HOH 3 1 2 85.88822 -0.03109 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.81408 -0.26017 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 85.88822 -0.03109 Restricting large step in mode 1 eval= 4.2D-02 step= 4.9D-01 new= 3.0D-01 Restricting large step in mode 2 eval= 5.2D-01 step= 5.0D-01 new= 3.0D-01 Restricting overall step due to large component. alpha= 0.96 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs Sending upstream hdr.cmd = CMD_STDOUT use symmetry = F symmetry adapt = F Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Forming initial guess at 2.1s Loading old vectors from job with title : Starting SCF solution at 2.1s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9578608260 3.92D-01 1.62D-01 2.0 2 -75.9673445494 1.29D-01 6.28D-02 2.1 3 -75.9685802967 8.67D-03 5.51D-03 2.2 4 -75.9685925280 7.02D-05 3.50D-05 2.4 Final RHF results ------------------ Total SCF energy = -75.968592528007 One-electron energy = -121.283839517086 Two-electron energy = 37.050460591437 Nuclear repulsion energy = 8.264786397642 Time for solution = 0.5s Final eigenvalues ----------------- 1 1 -20.5877 2 -1.3057 3 -0.6431 4 -0.5571 5 -0.4978 6 0.1651 7 0.2731 8 0.9243 9 1.0999 10 1.1384 11 1.1641 12 1.3533 13 1.4746 14 2.0249 15 2.0563 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.305739D+00 MO Center= -7.1D-02, -8.4D-17, 1.2D-01, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480028 1 O s 6 0.472147 1 O s 1 -0.212449 1 O s Vector 3 Occ=2.000000D+00 E=-6.431205D-01 MO Center= -1.6D-02, -3.9D-16, 7.1D-02, r^2= 8.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.507008 1 O pz 9 0.320693 1 O pz 16 0.258341 2 H s 6 -0.190305 1 O s 17 0.150269 2 H s Vector 4 Occ=2.000000D+00 E=-5.570517D-01 MO Center= -3.2D-03, 4.4D-16, -8.2D-02, r^2= 8.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.497382 1 O px 7 0.376146 1 O px 6 -0.261234 1 O s 18 0.216676 3 H s 19 0.201474 3 H s 2 -0.150344 1 O s Vector 5 Occ=2.000000D+00 E=-4.978275D-01 MO Center= -1.6D-01, 2.3D-16, -8.9D-03, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.646130 1 O py 8 0.504545 1 O py Vector 6 Occ=0.000000D+00 E= 1.650660D-01 MO Center= 8.0D-01, -1.1D-17, -3.5D-02, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.083344 3 H s 6 -0.973486 1 O s 7 -0.555332 1 O px 17 0.550770 2 H s 3 -0.314343 1 O px Vector 7 Occ=0.000000D+00 E= 2.730512D-01 MO Center= 1.6D-01, -1.2D-17, 9.2D-01, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.618703 2 H s 19 -0.706686 3 H s 9 -0.702388 1 O pz 6 -0.695114 1 O s 5 -0.308191 1 O pz 7 0.199374 1 O px Vector 8 Occ=0.000000D+00 E= 9.242897D-01 MO Center= 7.7D-01, 6.5D-17, -2.8D-01, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.159833 3 H s 18 1.086393 3 H s 6 0.535905 1 O s 16 -0.403070 2 H s 17 0.339903 2 H s 3 -0.228203 1 O px 9 0.214356 1 O pz 2 -0.204987 1 O s Vector 9 Occ=0.000000D+00 E= 1.099851D+00 MO Center= 3.6D-02, 1.2D-16, 2.3D-01, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.484912 1 O s 16 0.987539 2 H s 2 -0.832983 1 O s 17 -0.710039 2 H s 9 -0.528016 1 O pz 19 -0.448575 3 H s 13 -0.361280 1 O dyy 18 0.319568 3 H s 10 -0.283080 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.138359D+00 MO Center= -5.4D-01, 2.7D-15, -5.3D-02, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.449543 1 O s 2 -0.677744 1 O s 3 0.643863 1 O px 7 -0.551512 1 O px 16 -0.494032 2 H s 5 0.462243 1 O pz 15 -0.359615 1 O dzz 10 -0.241076 1 O dxx 13 -0.195208 1 O dyy 9 -0.170952 1 O pz Vector 11 Occ=0.000000D+00 E= 1.164139D+00 MO Center= -1.7D-01, -3.6D-15, -2.0D-02, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 -1.039435 1 O py 4 0.958398 1 O py Vector 12 Occ=0.000000D+00 E= 1.353340D+00 MO Center= -2.4D-01, 2.5D-16, 1.4D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.219348 1 O pz 17 -0.950069 2 H s 5 -0.868282 1 O pz 7 -0.701886 1 O px 6 0.649227 1 O s 3 0.502252 1 O px 19 0.475399 3 H s 2 -0.266481 1 O s 16 0.165416 2 H s Vector 13 Occ=0.000000D+00 E= 1.474560D+00 MO Center= 2.1D-01, 4.9D-16, 2.3D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.898884 1 O s 2 -1.186125 1 O s 7 0.994778 1 O px 9 0.776545 1 O pz 17 -0.768244 2 H s 3 -0.529981 1 O px 15 -0.511708 1 O dzz 10 -0.485440 1 O dxx 18 -0.487519 3 H s 16 -0.414342 2 H s Vector 14 Occ=0.000000D+00 E= 2.024941D+00 MO Center= -2.0D-01, 1.1D-16, -4.6D-02, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.557302 1 O dxz 10 0.440530 1 O dxx 15 -0.247642 1 O dzz 13 -0.161332 1 O dyy Vector 15 Occ=0.000000D+00 E= 2.056270D+00 MO Center= -1.7D-01, 4.1D-16, -3.7D-02, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.730801 1 O dyz center of mass -------------- x = -0.18922318 y = 0.00000000 z = 0.02692521 moments of inertia (a.u.) ------------------ 3.472961065064 0.000000000000 0.887515107931 0.000000000000 8.068977986402 0.000000000000 0.887515107931 0.000000000000 4.596016921338 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.80 2.00 0.92 2.78 0.97 2.07 0.06 2 H 1 0.56 0.46 0.10 3 H 1 0.63 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.817172 0.000000 -0.792741 1 0 1 0 -0.000000 0.000000 0.000000 1 0 0 1 0.511673 0.000000 0.807034 2 2 0 0 -3.858358 0.000000 4.348696 2 1 1 0 0.000000 0.000000 0.000000 2 1 0 1 -0.505235 0.000000 -1.078855 2 0 2 0 -5.549354 0.000000 0.000000 2 0 1 1 -0.000000 0.000000 0.000000 2 0 0 2 -3.691587 0.000000 3.445461 Line search: step= 0.96 grad=-8.5D-02 hess= 5.0D-02 energy= -75.968593 mode=downhill new step= 0.85 predicted energy= -75.969276 -------- Step 2 -------- Geometry "geometry" -> "h2o_c1" ------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- Sending upstream hdr.cmd = CMD_STDOUT 1 O 8.0000 -0.17833818 0.00000000 -0.01647310 2 H 1.0000 -0.00700220 0.00000000 0.91076087 3 H 1.0000 0.98422786 0.00000000 -0.31386204 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.3533618325 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.8493936951 0.0000000000 0.8789380727 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs use symmetry = F symmetry adapt = F Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Forming initial guess at 2.7s Loading old vectors from job with title : Starting SCF solution at 2.7s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9679909173 4.22D-02 1.73D-02 2.5 2 -75.9681214091 9.26D-04 5.23D-04 2.7 3 -75.9681215299 6.38D-06 2.97D-06 2.9 Final RHF results ------------------ Total SCF energy = -75.968121529863 One-electron energy = -121.436208592896 Two-electron energy = 37.114725230524 Nuclear repulsion energy = 8.353361832509 Time for solution = 0.4s Final eigenvalues ----------------- 1 1 -20.5864 2 -1.3119 3 -0.6469 4 -0.5593 5 -0.4988 6 0.1650 7 0.2767 8 0.9218 9 1.1087 10 1.1457 11 1.1639 12 1.3569 13 1.4795 14 2.0207 15 2.0537 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.311898D+00 MO Center= -7.3D-02, -8.3D-17, 1.3D-01, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.479139 1 O s 6 0.467141 1 O s 1 -0.211933 1 O s Vector 3 Occ=2.000000D+00 E=-6.469401D-01 MO Center= -2.7D-02, -4.1D-16, 6.4D-02, r^2= 8.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.513118 1 O pz 9 0.320869 1 O pz 16 0.260301 2 H s 6 -0.205188 1 O s Vector 4 Occ=2.000000D+00 E=-5.593296D-01 MO Center= 8.7D-04, 4.6D-16, -7.8D-02, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.499168 1 O px 7 0.377268 1 O px 6 -0.258031 1 O s 18 0.220568 3 H s 19 0.204562 3 H s Vector 5 Occ=2.000000D+00 E=-4.988101D-01 MO Center= -1.7D-01, 2.3D-16, -3.0D-03, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.646030 1 O py 8 0.504620 1 O py Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT 19 1.088663 3 H s 6 -0.971643 1 O s 7 -0.559778 1 O px 17 0.538060 2 H s 3 -0.316194 1 O px Vector 7 Occ=0.000000D+00 E= 2.766625D-01 MO Center= 1.6D-01, -2.6D-17, 9.4D-01, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.663829 2 H s 6 -0.742208 1 O s 9 -0.706072 1 O pz 19 -0.703709 3 H s 5 -0.303666 1 O pz 7 0.185426 1 O px Vector 8 Occ=0.000000D+00 E= 9.218351D-01 MO Center= 7.7D-01, 3.1D-17, -2.7D-01, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.161321 3 H s 18 1.083729 3 H s 6 0.551650 1 O s 16 -0.403232 2 H s 17 0.325259 2 H s 9 0.233640 1 O pz 3 -0.228362 1 O px 2 -0.207231 1 O s Vector 9 Occ=0.000000D+00 E= 1.108686D+00 MO Center= -7.3D-02, -5.8D-16, -1.9D-02, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 0.842247 2 H s 17 -0.618462 2 H s Sending upstream hdr.cmd = CMD_STDOUT 9 -0.602357 1 O pz 19 -0.454306 3 H s 13 -0.397859 1 O dyy 10 -0.330558 1 O dxx 18 0.283730 3 H s 15 -0.192541 1 O dzz Vector 10 Occ=0.000000D+00 E= 1.145725D+00 MO Center= -4.4D-01, -5.5D-15, 1.5D-01, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.069873 1 O s 16 -0.702994 2 H s 3 0.665317 1 O px 7 -0.560324 1 O px 2 -0.457857 1 O s 5 0.417724 1 O pz 15 -0.323954 1 O dzz 17 0.228874 2 H s 18 -0.180726 3 H s 10 -0.164014 1 O dxx Vector 11 Occ=0.000000D+00 E= 1.163871D+00 MO Center= -1.7D-01, 5.3D-15, -1.4D-02, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 -1.039389 1 O py 4 0.958460 1 O py Vector 12 Occ=0.000000D+00 E= 1.356879D+00 MO Center= -2.4D-01, -3.7D-17, 1.8D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.212586 1 O pz 17 -1.003938 2 H s 5 -0.879604 1 O pz 6 0.719092 1 O s 7 -0.676336 1 O px 3 0.479631 1 O px 19 0.471389 3 H s 2 -0.300560 1 O s 16 0.212246 2 H s Vector 13 Occ=0.000000D+00 E= 1.479539D+00 MO Center= 2.1D-01, 8.0D-16, 2.3D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.933049 1 O s 2 -1.189374 1 O s 7 1.005664 1 O px 17 -0.797765 2 H s 9 0.782837 1 O pz 3 -0.526382 1 O px 15 -0.510715 1 O dzz 18 -0.499737 3 H s 10 -0.491675 1 O dxx 16 -0.424949 2 H s Vector 14 Occ=0.000000D+00 E= 2.020671D+00 MO Center= -2.1D-01, -2.7D-18, -4.0D-02, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.553755 1 O dxz 10 0.439598 1 O dxx 15 -0.274058 1 O dzz Vector 15 Occ=0.000000D+00 E= 2.053660D+00 MO Center= -1.8D-01, 5.6D-16, -3.2D-02, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.731141 1 O dyz center of mass -------------- x = -0.19595784 y = 0.00000000 z = 0.03547284 moments of inertia (a.u.) ------------------ 3.332697234033 0.000000000000 0.841730521670 0.000000000000 7.944289755859 0.000000000000 0.841730521670 0.000000000000 4.611592521826 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.80 2.00 0.92 2.79 0.97 2.06 0.07 2 H 1 0.56 0.47 0.09 3 H 1 0.64 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 1 1 0 0 0.824347 0.000000 -0.849394 1 0 1 0 -0.000000 0.000000 0.000000 1 0 0 1 0.508176 0.000000 0.878938 Sending upstream hdr.cmd = CMD_STDOUT 2 2 0 0 -3.857603 0.000000 4.368089 2 1 1 0 0.000000 0.000000 0.000000 2 1 0 1 -0.472959 0.000000 -1.041990 2 0 2 0 -5.535724 0.000000 0.000000 2 0 1 1 -0.000000 0.000000 0.000000 2 0 0 2 -3.721628 0.000000 3.321681 NWChem Gradients Module ----------------------- wavefunction = RHF RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.337010 0.000000 -0.031130 -0.137247 -0.000000 0.034489 2 H -0.013232 0.000000 1.721088 0.011722 0.000000 -0.013755 3 H 1.859921 0.000000 -0.593113 0.125525 -0.000000 -0.020733 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 2 -75.96812153 -3.5D-02 0.01323 0.01008 0.09366 0.20075 3.2 Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94293 -0.01140 2*Stretch OH2 3 1 1.20000 0.12675 3 Bend HOH 3 1 2 93.87966 -0.01323 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94293 -0.01140 2*Stretch OH2 3 1 1.20000 -0.00000 3 Bend HOH 3 1 2 93.87966 -0.01323 Restricting large step in mode 1 eval= 4.0D-02 step= 3.2D-01 new= 3.0D-01 Restricting overall step due to large component. alpha= 1.00 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = F symmetry adapt = F Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Forming initial guess at 3.2s Loading old vectors from job with title : Starting SCF solution at 3.2s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9687918779 1.10D-01 4.84D-02 3.1 2 -75.9696876647 6.33D-03 2.76D-03 3.2 3 -75.9696923808 3.58D-05 1.67D-05 3.4 Final RHF results ------------------ Total SCF energy = -75.969692380757 One-electron energy = -121.424086754444 Two-electron energy = 37.129783683342 Nuclear repulsion energy = 8.324610690345 Time for solution = 0.4s Final eigenvalues ----------------- 1 1 -20.5809 2 -1.3047 3 -0.6565 4 -0.5455 5 -0.4946 6 0.1660 7 0.2791 8 0.9364 9 1.1031 10 1.1471 11 1.1670 12 1.3668 13 1.4387 14 2.0392 15 2.0524 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304711D+00 MO Center= -5.5D-02, -8.0D-17, 1.5D-01, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480314 1 O s 6 0.469047 1 O s 1 -0.212560 1 O s Vector 3 Occ=2.000000D+00 E=-6.565196D-01 MO Center= 3.8D-02, -3.2D-16, 7.3D-02, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.491433 1 O pz 9 0.306829 1 O pz 16 0.254054 2 H s 6 -0.173379 1 O s 18 -0.162249 3 H s Vector 4 Occ=2.000000D+00 E=-5.455473D-01 MO Center= -1.4D-02, 3.6D-16, -6.4D-02, r^2= 8.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.494894 1 O px 7 0.378590 1 O px 6 -0.265203 1 O s 18 0.199129 3 H s 19 0.186655 3 H s 5 0.180436 1 O pz Vector 5 Occ=2.000000D+00 E=-4.945690D-01 MO Center= -1.3D-01, 2.3D-16, 1.6D-02, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.644663 1 O py 8 0.506162 1 O py Vector 6 Occ=0.000000D+00 E= 1.660135D-01 MO Center= 8.1D-01, -8.5D-18, -7.9D-02, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.094922 3 H s 6 0.999034 1 O s 17 -0.557521 2 H s 7 0.536339 1 O px 3 0.304934 1 O px Vector 7 Occ=0.000000D+00 E= 2.790685D-01 MO Center= 1.2D-01, -8.5D-17, 9.6D-01, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.643059 2 H s 6 -0.731321 1 O s 9 -0.711915 1 O pz 19 -0.687243 3 H s 5 -0.298598 1 O pz 7 0.232429 1 O px Vector 8 Occ=0.000000D+00 E= 9.363737D-01 MO Center= 8.6D-01, -7.4D-17, -3.5D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.164884 3 H s 18 1.134278 3 H s 6 0.567194 1 O s 3 -0.257301 1 O px 16 -0.256602 2 H s 2 -0.230747 1 O s 17 0.215973 2 H s 12 -0.169077 1 O dxz 9 0.155596 1 O pz Vector 9 Occ=0.000000D+00 E= 1.103079D+00 MO Center= -2.8D-02, 1.2D-17, 2.7D-01, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.139254 1 O s 16 1.073110 2 H s 2 -0.692128 1 O s 9 -0.646683 1 O pz 17 -0.647524 2 H s 19 -0.341121 3 H s 13 -0.311945 1 O dyy 10 -0.268502 1 O dxx 18 0.216465 3 H s Vector 10 Occ=0.000000D+00 E= 1.147096D+00 MO Center= -5.3D-01, -8.0D-15, -5.4D-02, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.544276 1 O s 2 -0.710269 1 O s 3 0.614574 1 O px 7 -0.557356 1 O px 5 0.485785 1 O pz 16 -0.481430 2 H s 15 -0.375331 1 O dzz 10 -0.234537 1 O dxx 13 -0.209977 1 O dyy 9 -0.178870 1 O pz Vector 11 Occ=0.000000D+00 E= 1.166978D+00 MO Center= -1.4D-01, 7.1D-15, 4.6D-03, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 -1.038712 1 O py 4 0.959377 1 O py Vector 12 Occ=0.000000D+00 E= 1.366837D+00 MO Center= -2.2D-01, -4.0D-17, 1.5D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.198899 1 O pz 17 -0.929444 2 H s 5 -0.844399 1 O pz 7 -0.786909 1 O px 3 0.549544 1 O px 6 0.548614 1 O s 19 0.472646 3 H s 2 -0.222850 1 O s 16 0.170736 2 H s Vector 13 Occ=0.000000D+00 E= 1.438708D+00 MO Center= 2.6D-01, 9.0D-16, 3.2D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.075964 1 O s 2 -1.274525 1 O s 7 0.888225 1 O px 17 -0.890274 2 H s 9 0.791522 1 O pz 3 -0.507432 1 O px 15 -0.509728 1 O dzz 10 -0.480259 1 O dxx 18 -0.405836 3 H s 19 -0.335169 3 H s Vector 14 Occ=0.000000D+00 E= 2.039192D+00 MO Center= -1.7D-01, -8.8D-17, -2.6D-02, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.510094 1 O dxz 10 0.485958 1 O dxx 13 -0.320413 1 O dyy 6 -0.166608 1 O s Vector 15 Occ=0.000000D+00 E= 2.052447D+00 MO Center= -1.4D-01, 5.7D-16, -9.1D-03, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.694364 1 O dyz 11 -0.357821 1 O dxy center of mass -------------- x = -0.13770205 y = 0.00000000 z = 0.06551906 moments of inertia (a.u.) ------------------ 3.608698527668 0.000000000000 1.381868537766 0.000000000000 8.025171610595 0.000000000000 1.381868537766 0.000000000000 4.416473082927 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.82 2.00 0.91 2.80 0.96 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.780217 0.000000 -0.359336 1 0 1 0 -0.000000 0.000000 0.000000 1 0 0 1 0.471662 0.000000 1.131692 2 2 0 0 -3.776510 0.000000 4.159940 2 1 1 0 0.000000 0.000000 0.000000 2 1 0 1 -0.704999 0.000000 -1.521910 2 0 2 0 -5.535795 0.000000 0.000000 2 0 1 1 -0.000000 0.000000 0.000000 2 0 0 2 -3.534356 0.000000 3.657199 Line search: step= 1.00 grad=-4.0D-03 hess= 2.4D-03 energy= -75.969692 mode=downhill new step= 0.82 predicted energy= -75.969768 -------- Step 3 -------- ------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) Sending upstream hdr.cmd = CMD_STDOUT ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.14794791 0.00000000 -0.00096607 Sending upstream hdr.cmd = CMD_STDOUT 2 H 1.0000 -0.05124773 0.00000000 0.93818493 3 H 1.0000 0.99808311 0.00000000 -0.35679313 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.3293390446 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.4473886142 0.0000000000 1.0840663080 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = F symmetry adapt = F Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Forming initial guess at 3.7s Loading old vectors from job with title : Starting SCF solution at 3.7s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9697325759 1.90D-02 9.36D-03 3.6 2 -75.9697591265 3.35D-04 1.31D-04 3.7 3 -75.9697591415 2.64D-06 1.37D-06 3.9 Final RHF results ------------------ Total SCF energy = -75.969759141493 One-electron energy = -121.425731062342 Two-electron energy = 37.126632876258 Nuclear repulsion energy = 8.329339044590 Time for solution = 0.4s Final eigenvalues ----------------- 1 1 -20.5820 2 -1.3060 3 -0.6548 4 -0.5481 5 -0.4954 6 0.1660 7 0.2786 8 0.9341 9 1.1044 10 1.1464 11 1.1664 12 1.3649 13 1.4460 14 2.0353 15 2.0528 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.305970D+00 MO Center= -5.8D-02, -8.1D-17, 1.4D-01, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480151 1 O s 6 0.468758 1 O s 1 -0.212464 1 O s Vector 3 Occ=2.000000D+00 E=-6.548181D-01 MO Center= 2.8D-02, -3.4D-16, 7.1D-02, r^2= 8.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.495265 1 O pz 9 0.309268 1 O pz 16 0.255032 2 H s 6 -0.177975 1 O s 18 -0.158426 3 H s Vector 4 Occ=2.000000D+00 E=-5.481260D-01 MO Center= -1.3D-02, 3.7D-16, -6.7D-02, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.495835 1 O px 7 0.378413 1 O px 6 -0.264804 1 O s 18 0.202569 3 H s 19 0.189346 3 H s 5 0.169575 1 O pz Vector 5 Occ=2.000000D+00 E=-4.953605D-01 MO Center= -1.4D-01, 2.3D-16, 1.2D-02, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.644925 1 O py 8 0.505868 1 O py Vector 6 Occ=0.000000D+00 E= 1.660327D-01 MO Center= 8.1D-01, -8.9D-18, -7.2D-02, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.094304 3 H s 6 -0.994523 1 O s 17 0.554376 2 H s 7 -0.540863 1 O px 3 -0.307016 1 O px Vector 7 Occ=0.000000D+00 E= 2.786200D-01 MO Center= 1.2D-01, -3.0D-17, 9.6D-01, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.646032 2 H s 6 -0.733437 1 O s 9 -0.711029 1 O pz 19 -0.688847 3 H s 5 -0.299618 1 O pz 7 0.224047 1 O px Vector 8 Occ=0.000000D+00 E= 9.341070D-01 MO Center= 8.4D-01, -6.3D-18, -3.4D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.162952 3 H s 18 1.124859 3 H s 6 0.565562 1 O s 16 -0.290375 2 H s 3 -0.252294 1 O px 17 0.238090 2 H s 2 -0.226147 1 O s 9 0.174150 1 O pz 12 -0.163564 1 O dxz Vector 9 Occ=0.000000D+00 E= 1.104372D+00 MO Center= -2.2D-02, -4.9D-17, 2.3D-01, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.254562 1 O s 16 1.039846 2 H s 2 -0.744247 1 O s 17 -0.646323 2 H s 9 -0.641921 1 O pz 19 -0.373238 3 H s 13 -0.329567 1 O dyy 10 -0.279261 1 O dxx 18 0.239768 3 H s Vector 10 Occ=0.000000D+00 E= 1.146447D+00 MO Center= -5.3D-01, -4.4D-15, -2.3D-02, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.483840 1 O s 2 -0.677295 1 O s 3 0.624030 1 O px 7 -0.559394 1 O px 16 -0.519166 2 H s 5 0.476471 1 O pz 15 -0.370670 1 O dzz 10 -0.225223 1 O dxx 13 -0.195127 1 O dyy Vector 11 Occ=0.000000D+00 E= 1.166395D+00 MO Center= -1.4D-01, 3.9D-15, 1.1D-03, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 -1.038843 1 O py 4 0.959201 1 O py Vector 12 Occ=0.000000D+00 E= 1.364940D+00 MO Center= -2.2D-01, -1.1D-16, 1.6D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.204695 1 O pz 17 -0.947934 2 H s 5 -0.852991 1 O pz 7 -0.762607 1 O px 6 0.596453 1 O s 3 0.534551 1 O px 19 0.469624 3 H s 2 -0.244351 1 O s 16 0.178753 2 H s Vector 13 Occ=0.000000D+00 E= 1.446020D+00 MO Center= 2.5D-01, 6.7D-16, 3.0D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.050305 1 O s 2 -1.258955 1 O s 7 0.914238 1 O px 17 -0.868806 2 H s 9 0.784977 1 O pz 3 -0.514691 1 O px 15 -0.511313 1 O dzz 10 -0.481168 1 O dxx 18 -0.424425 3 H s 16 -0.330852 2 H s Vector 14 Occ=0.000000D+00 E= 2.035347D+00 MO Center= -1.8D-01, -8.6D-18, -2.9D-02, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.521872 1 O dxz 10 0.479652 1 O dxx 13 -0.290146 1 O dyy 6 -0.159964 1 O s Vector 15 Occ=0.000000D+00 E= 2.052785D+00 MO Center= -1.5D-01, 4.7D-16, -1.3D-02, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.705062 1 O dyz 11 -0.302596 1 O dxy center of mass -------------- x = -0.14816933 y = 0.00000000 z = 0.05985754 moments of inertia (a.u.) ------------------ 3.561495560587 0.000000000000 1.286779105964 0.000000000000 8.011015286463 0.000000000000 1.286779105964 0.000000000000 4.449519725876 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.82 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.788099 0.000000 -0.447389 1 0 1 0 -0.000000 0.000000 0.000000 1 0 0 1 0.478627 0.000000 1.084066 2 2 0 0 -3.791409 0.000000 4.192090 2 1 1 0 0.000000 0.000000 0.000000 2 1 0 1 -0.663715 0.000000 -1.439302 2 0 2 0 -5.535673 0.000000 0.000000 2 0 1 1 -0.000000 0.000000 0.000000 2 0 0 2 -3.566858 0.000000 3.597846 NWChem Gradients Module ----------------------- wavefunction = RHF RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.279581 0.000000 -0.001826 -0.124164 -0.000000 0.046324 2 H -0.096844 0.000000 1.772912 -0.000753 0.000000 -0.007561 3 H 1.886104 0.000000 -0.674241 0.124916 -0.000000 -0.038763 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Internal coordinate gradient before constraints Sending upstream hdr.cmd = CMD_STDOUT Z-matrix (user) -------- Sending upstream hdr.cmd = CMD_STDOUT Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94412 -0.00760 2*Stretch OH2 3 1 1.20000 0.13079 3 Bend HOH 3 1 2 101.37009 -0.00002 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94412 -0.00760 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 101.37009 -0.00002 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = F symmetry adapt = F Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Forming initial guess at 4.3s Loading old vectors from job with title : Starting SCF solution at 4.3s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Sending upstream hdr.cmd = CMD_STDOUT Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9697932799 9.23D-03 3.64D-03 4.1 2 -75.9697997632 3.54D-05 1.60D-05 4.3 Final RHF results ------------------ Total SCF energy = -75.969799763227 One-electron energy = -121.389653139467 Two-electron energy = 37.110862050220 Nuclear repulsion energy = 8.308991326019 Time for solution = 0.3s Final eigenvalues ----------------- 1 1 -20.5824 2 -1.3047 3 -0.6536 4 -0.5480 5 -0.4952 6 0.1660 7 0.2777 8 0.9342 9 1.1020 10 1.1451 11 1.1664 12 1.3639 13 1.4459 14 2.0359 15 2.0534 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304720D+00 MO Center= -5.8D-02, -8.1D-17, 1.4D-01, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480312 1 O s 6 0.469880 1 O s 1 -0.212560 1 O s Vector 3 Occ=2.000000D+00 E=-6.536249D-01 MO Center= 2.9D-02, -3.3D-16, 7.2D-02, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.494312 1 O pz 9 0.309548 1 O pz 16 0.254739 2 H s 6 -0.175591 1 O s 18 -0.158691 3 H s Vector 4 Occ=2.000000D+00 E=-5.479523D-01 MO Center= -1.3D-02, 3.7D-16, -6.8D-02, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.495347 1 O px 7 0.377987 1 O px 6 -0.265055 1 O s 18 0.202326 3 H s 19 0.189238 3 H s 5 0.170876 1 O pz Vector 5 Occ=2.000000D+00 E=-4.952434D-01 MO Center= -1.4D-01, 2.3D-16, 1.0D-02, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.644982 1 O py 8 0.505811 1 O py Vector 6 Occ=0.000000D+00 E= 1.659539D-01 MO Center= 8.1D-01, -9.0D-18, -6.9D-02, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.092593 3 H s 6 0.994089 1 O s 17 -0.557031 2 H s 7 0.540336 1 O px 3 0.306845 1 O px Vector 7 Occ=0.000000D+00 E= 2.777500D-01 MO Center= 1.3D-01, 1.2D-16, 9.5D-01, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.636118 2 H s 6 -0.722363 1 O s 9 -0.710040 1 O pz 19 -0.690747 3 H s 5 -0.300851 1 O pz 7 0.225947 1 O px Vector 8 Occ=0.000000D+00 E= 9.342491D-01 MO Center= 8.4D-01, -3.6D-16, -3.4D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163075 3 H s 18 1.124561 3 H s 6 0.562778 1 O s 16 -0.292487 2 H s 3 -0.251862 1 O px 17 0.242583 2 H s 2 -0.225498 1 O s 9 0.171844 1 O pz 12 -0.163004 1 O dxz Vector 9 Occ=0.000000D+00 E= 1.101954D+00 MO Center= -1.1D-02, 3.1D-16, 2.7D-01, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.207441 1 O s 16 1.059682 2 H s 2 -0.719023 1 O s 17 -0.664565 2 H s 9 -0.618798 1 O pz 19 -0.368264 3 H s 13 -0.321917 1 O dyy 10 -0.269988 1 O dxx 18 0.244240 3 H s Vector 10 Occ=0.000000D+00 E= 1.145075D+00 MO Center= -5.4D-01, 3.6D-16, -6.1D-02, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.533710 1 O s 2 -0.709214 1 O s 5 0.481275 1 O pz 16 -0.476296 2 H s Sending upstream hdr.cmd = CMD_STDOUT 13 -0.209406 1 O dyy 9 -0.182048 1 O pz Sending upstream hdr.cmd = CMD_STDOUT Vector 11 Occ=0.000000D+00 E= 1.166374D+00 MO Center= -1.4D-01, -2.2D-15, -7.4D-04, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 -1.038870 1 O py 4 0.959164 1 O py Vector 12 Occ=0.000000D+00 E= 1.363888D+00 MO Center= -2.3D-01, -1.6D-16, 1.5D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.208039 1 O pz 17 -0.938980 2 H s 5 -0.851595 1 O pz 7 -0.763820 1 O px 6 0.590160 1 O s 3 0.536466 1 O px 19 0.469981 3 H s 2 -0.240665 1 O s 16 0.168109 2 H s Vector 13 Occ=0.000000D+00 E= 1.445873D+00 MO Center= 2.6D-01, 1.8D-15, 3.0D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.036334 1 O s 2 -1.254790 1 O s 7 0.916058 1 O px 17 -0.857600 2 H s 9 0.782148 1 O pz 3 -0.516355 1 O px 15 -0.511340 1 O dzz 10 -0.480042 1 O dxx 18 -0.424441 3 H s 16 -0.332663 2 H s Vector 14 Occ=0.000000D+00 E= 2.035875D+00 MO Center= -1.8D-01, 4.6D-18, -3.1D-02, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.523027 1 O dxz 10 0.478294 1 O dxx 13 -0.289947 1 O dyy 6 -0.158882 1 O s Vector 15 Occ=0.000000D+00 E= 2.053407D+00 MO Center= -1.5D-01, 5.4D-16, -1.5D-02, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.703789 1 O dyz 11 -0.309730 1 O dxy center of mass -------------- x = -0.14820272 y = 0.00000000 z = 0.05698631 moments of inertia (a.u.) ------------------ 3.585820777354 0.000000000000 1.283166314831 0.000000000000 8.038237020544 0.000000000000 1.283166314831 0.000000000000 4.452416243190 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 0.000000 0.000000 10.000000 1 1 0 0 0.787535 0.000000 -0.447669 1 0 1 0 -0.000000 0.000000 0.000000 1 0 0 1 0.480694 0.000000 1.059913 2 2 0 0 -3.793665 0.000000 4.194964 2 1 1 0 0.000000 0.000000 0.000000 2 1 0 1 -0.664844 0.000000 -1.435743 2 0 2 0 -5.538935 0.000000 0.000000 2 0 1 1 -0.000000 0.000000 0.000000 2 0 0 2 -3.565189 0.000000 3.615795 Line search: step= 1.00 grad=-6.0D-05 hess= 2.0D-05 energy= -75.969800 mode=downhill new step= 1.54 predicted energy= -75.969805 -------- Step 4 -------- Geometry "geometry" -> "h2o_c1" Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- Sending upstream hdr.cmd = CMD_STDOUT 1 O 8.0000 -0.14797970 0.00000000 -0.00377595 2 H 1.0000 -0.05177072 0.00000000 0.94190996 3 H 1.0000 0.99863789 0.00000000 -0.35770828 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.2980946945 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.4478091645 0.0000000000 1.0468970507 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = F symmetry adapt = F Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Forming initial guess at 4.6s Loading old vectors from job with title : Starting SCF solution at 4.6s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9698038136 4.94D-03 1.95D-03 4.4 2 -75.9698056823 1.94D-05 8.90D-06 4.6 Final RHF results ------------------ Total SCF energy = -75.969805682284 One-electron energy = -121.370306114888 Two-electron energy = 37.102405738137 Nuclear repulsion energy = 8.298094694467 Time for solution = 0.2s Final eigenvalues ----------------- 1 1 -20.5827 2 -1.3041 3 -0.6530 4 -0.5479 5 -0.4952 6 0.1659 7 0.2773 8 0.9343 9 1.1006 10 1.1444 11 1.1664 12 1.3633 13 1.4458 14 2.0362 15 2.0537 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304053D+00 MO Center= -5.8D-02, -8.1D-17, 1.4D-01, r^2= 5.1D-01 ----- ------------ --------------- ----- ------------ --------------- 2 0.480398 1 O s 6 0.470479 1 O s 1 -0.212611 1 O s Sending upstream hdr.cmd = CMD_STDOUT MO Center= 2.9D-02, -3.3D-16, 7.3D-02, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 5 0.493793 1 O pz 9 0.309694 1 O pz 16 0.254575 2 H s 6 -0.174300 1 O s 18 -0.158838 3 H s Vector 4 Occ=2.000000D+00 E=-5.478566D-01 MO Center= -1.3D-02, 3.7D-16, -6.8D-02, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.495075 1 O px 7 0.377754 1 O px 6 -0.265200 1 O s 18 0.202191 3 H s 19 0.189176 3 H s 5 0.171586 1 O pz Vector 5 Occ=2.000000D+00 E=-4.951807D-01 MO Center= -1.4D-01, 2.3D-16, 9.4D-03, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.645014 1 O py 8 0.505779 1 O py Vector 6 Occ=0.000000D+00 E= 1.659101D-01 MO Center= 8.1D-01, -9.0D-18, -6.8D-02, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.091652 3 H s 6 0.993850 1 O s 17 -0.558479 2 H s 7 0.540045 1 O px 3 0.306751 1 O px Vector 7 Occ=0.000000D+00 E= 2.772772D-01 MO Center= 1.3D-01, -2.0D-18, 9.5D-01, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.630771 2 H s 6 -0.716391 1 O s 9 -0.709491 1 O pz 19 -0.691800 3 H s 5 -0.301508 1 O pz 7 0.226980 1 O px Vector 8 Occ=0.000000D+00 E= 9.343249D-01 MO Center= 8.4D-01, -2.9D-17, -3.4D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163132 3 H s 18 1.124392 3 H s 6 0.561258 1 O s 16 -0.293657 2 H s 3 -0.251627 1 O px 17 0.245027 2 H s 2 -0.225135 1 O s 9 0.170599 1 O pz 12 -0.162700 1 O dxz Vector 9 Occ=0.000000D+00 E= 1.100590D+00 MO Center= -6.0D-03, 9.6D-17, 3.0D-01, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.182682 1 O s 16 1.069117 2 H s 2 -0.705567 1 O s 17 -0.673901 2 H s 9 -0.606029 1 O pz 19 -0.365442 3 H s 13 -0.317745 1 O dyy 10 -0.264987 1 O dxx 18 0.246513 3 H s Vector 10 Occ=0.000000D+00 E= 1.144401D+00 MO Center= -5.4D-01, -4.0D-15, -8.0D-02, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.558852 1 O s 2 -0.725315 1 O s 3 0.618558 1 O px 7 -0.554235 1 O px 5 0.483204 1 O pz 16 -0.453962 2 H s 15 -0.373461 1 O dzz 10 -0.244516 1 O dxx 13 -0.216652 1 O dyy 9 -0.198010 1 O pz Vector 11 Occ=0.000000D+00 E= 1.166363D+00 MO Center= -1.4D-01, 2.8D-15, -1.7D-03, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 -1.038886 1 O py 4 0.959143 1 O py Vector 12 Occ=0.000000D+00 E= 1.363342D+00 MO Center= -2.3D-01, 1.9D-16, 1.5D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.209673 1 O pz 17 -0.934087 2 H s 5 -0.850836 1 O pz 7 -0.764472 1 O px 6 0.586524 1 O s 3 0.537462 1 O px 19 0.470151 3 H s 2 -0.238616 1 O s 16 0.162524 2 H s Vector 13 Occ=0.000000D+00 E= 1.445797D+00 MO Center= 2.6D-01, 1.2D-15, 2.9D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.028880 1 O s 2 -1.252572 1 O s 7 0.916995 1 O px 17 -0.851653 2 H s 9 0.780677 1 O pz 3 -0.517222 1 O px 15 -0.511347 1 O dzz 10 -0.479441 1 O dxx 18 -0.424436 3 H s 16 -0.333608 2 H s Vector 14 Occ=0.000000D+00 E= 2.036160D+00 MO Center= -1.8D-01, -4.9D-17, -3.2D-02, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.523649 1 O dxz 10 0.477562 1 O dxx 13 -0.289839 1 O dyy 6 -0.158301 1 O s Vector 15 Occ=0.000000D+00 E= 2.053742D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.703081 1 O dyz 11 -0.313624 1 O dxy center of mass -------------- Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) ------------------ Sending upstream hdr.cmd = CMD_STDOUT 3.598990532001 0.000000000000 1.281229928048 0.000000000000 8.052961427539 0.000000000000 1.281229928048 0.000000000000 4.453970895538 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 0.000000 0.000000 10.000000 1 1 0 0 0.787233 0.000000 -0.447809 1 0 1 0 -0.000000 0.000000 0.000000 1 0 0 1 0.481803 0.000000 1.046897 2 2 0 0 -3.794875 0.000000 4.196507 2 1 1 0 0.000000 0.000000 0.000000 2 1 0 1 -0.665470 0.000000 -1.433833 2 0 2 0 -5.540691 0.000000 0.000000 2 0 1 1 -0.000000 0.000000 0.000000 2 0 0 2 -3.564271 0.000000 3.625572 NWChem Gradients Module ----------------------- wavefunction = RHF RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.279641 0.000000 -0.007136 -0.124865 -0.000000 0.038681 2 H -0.097832 0.000000 1.779952 -0.000052 0.000000 -0.000087 3 H 1.887152 0.000000 -0.675971 0.124917 -0.000000 -0.038594 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 4 -75.96980568 -4.7D-05 0.00009 0.00006 0.00303 0.00704 5.0 ok ok Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95057 -0.00009 2*Stretch OH2 3 1 1.20000 0.13074 3 Bend HOH 3 1 2 101.34518 0.00004 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95057 -0.00009 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 101.34518 0.00004 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = F symmetry adapt = F Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Forming initial guess at 5.0s Loading old vectors from job with title : Starting SCF solution at 5.0s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9698056979 3.26D-04 1.29D-04 4.8 2 -75.9698057066 7.75D-06 2.98D-06 4.9 Final RHF results ------------------ Total SCF energy = -75.969805706633 One-electron energy = -121.369573627214 Two-electron energy = 37.102030109051 Nuclear repulsion energy = 8.297737811530 Final eigenvalues ----------------- 1 1 -20.5827 2 -1.3040 Sending upstream hdr.cmd = CMD_STDOUT 3 -0.6529 4 -0.5479 5 -0.4952 6 0.1659 7 0.2773 8 0.9343 9 1.1006 10 1.1444 11 1.1664 12 1.3633 13 1.4459 14 2.0361 15 2.0538 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304045D+00 MO Center= -5.8D-02, -8.1D-17, 1.4D-01, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480398 1 O s 6 0.470500 1 O s 1 -0.212612 1 O s Vector 3 Occ=2.000000D+00 E=-6.529342D-01 MO Center= 2.9D-02, -3.3D-16, 7.3D-02, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.493831 1 O pz 9 0.309737 1 O pz 16 0.254583 2 H s 6 -0.174319 1 O s 18 -0.158785 3 H s Vector 4 Occ=2.000000D+00 E=-5.478897D-01 MO Center= -1.3D-02, 3.7D-16, -6.8D-02, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.495076 1 O px 7 0.377742 1 O px 6 -0.265203 1 O s 18 0.202237 3 H s 19 0.189215 3 H s 5 0.171450 1 O pz Vector 5 Occ=2.000000D+00 E=-4.951894D-01 MO Center= -1.4D-01, 2.3D-16, 9.3D-03, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.645019 1 O py 8 0.505774 1 O py Vector 6 Occ=0.000000D+00 E= 1.659083D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.091606 3 H s 6 0.993771 1 O s Sending upstream hdr.cmd = CMD_STDOUT 3 0.306778 1 O px Sending upstream hdr.cmd = CMD_STDOUT Vector 7 Occ=0.000000D+00 E= 2.772512D-01 MO Center= 1.3D-01, -1.2D-17, 9.5D-01, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.630608 2 H s 6 -0.716190 1 O s 9 -0.709454 1 O pz 19 -0.691865 3 H s 5 -0.301547 1 O pz 7 0.226896 1 O px Vector 8 Occ=0.000000D+00 E= 9.342926D-01 MO Center= 8.4D-01, -2.1D-17, -3.4D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163107 3 H s 18 1.124243 3 H s 6 0.561157 1 O s 16 -0.294181 2 H s 3 -0.251539 1 O px 17 0.245453 2 H s 2 -0.225050 1 O s 9 0.170801 1 O pz 12 -0.162609 1 O dxz Vector 9 Occ=0.000000D+00 E= 1.100558D+00 MO Center= -5.7D-03, -7.6D-18, 3.0D-01, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.183368 1 O s 16 1.069018 2 H s 2 -0.705792 1 O s 17 -0.674249 2 H s 9 -0.605466 1 O pz 19 -0.365792 3 H s 13 -0.317837 1 O dyy 10 -0.264947 1 O dxx 18 0.246932 3 H s Vector 10 Occ=0.000000D+00 E= 1.144365D+00 MO Center= -5.4D-01, 2.4D-15, -8.0D-02, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.559017 1 O s 2 -0.725497 1 O s 3 0.618611 1 O px 7 -0.554186 1 O px 5 0.483159 1 O pz 16 -0.453631 2 H s 15 -0.373435 1 O dzz 10 -0.244643 1 O dxx 13 -0.216732 1 O dyy 9 -0.198231 1 O pz Vector 11 Occ=0.000000D+00 E= 1.166354D+00 MO Center= -1.4D-01, -2.8D-15, -1.8D-03, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 -1.038888 1 O py 4 0.959140 1 O py Vector 12 Occ=0.000000D+00 E= 1.363292D+00 MO Center= -2.3D-01, 2.4D-16, 1.5D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.209792 1 O pz 17 -0.934120 2 H s 5 -0.850915 1 O pz 7 -0.764181 1 O px 6 0.586939 1 O s 3 0.537307 1 O px 19 0.470133 3 H s 2 -0.238788 1 O s 16 0.162423 2 H s Vector 13 Occ=0.000000D+00 E= 1.445903D+00 MO Center= 2.6D-01, 1.9D-16, 2.9D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.028222 1 O s 2 -1.252264 1 O s 7 0.917374 1 O px 17 -0.851144 2 H s 9 0.780566 1 O pz 3 -0.517337 1 O px 15 -0.511366 1 O dzz 10 -0.479434 1 O dxx 18 -0.424700 3 H s 16 -0.333980 2 H s Vector 14 Occ=0.000000D+00 E= 2.036116D+00 MO Center= -1.8D-01, -7.5D-17, -3.2D-02, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.523837 1 O dxz 10 0.477432 1 O dxx 13 -0.289383 1 O dyy 6 -0.158166 1 O s Vector 15 Occ=0.000000D+00 E= 2.053760D+00 MO Center= -1.5D-01, 3.0D-16, -1.6D-02, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.703210 1 O dyz 11 -0.312923 1 O dxy center of mass -------------- x = -0.14837357 y = 0.00000000 z = 0.05529544 Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) ------------------ 3.598809070885 0.000000000000 1.279742098156 0.000000000000 8.053330723833 0.000000000000 Sending upstream hdr.cmd = CMD_STDOUT 1.279742098156 0.000000000000 4.454521652948 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 1 1 0 0 0.787341 0.000000 -0.449107 1 0 1 0 -0.000000 0.000000 0.000000 Sending upstream hdr.cmd = CMD_STDOUT 1 0 0 1 0.481951 0.000000 1.045689 2 2 0 0 -3.795143 0.000000 4.197055 2 1 1 0 0.000000 0.000000 0.000000 2 1 0 1 -0.664892 0.000000 -1.432520 2 0 2 0 -5.540762 0.000000 0.000000 2 0 1 1 -0.000000 0.000000 0.000000 2 0 0 2 -3.564705 0.000000 3.625088 Line search: step= 1.00 grad=-4.7D-08 hess= 2.3D-08 energy= -75.969806 mode=accept new step= 1.00 predicted energy= -75.969806 -------- Step 5 -------- Sending upstream hdr.cmd = CMD_STDOUT Geometry "geometry" -> "h2o_c1" ------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.14807779 0.00000000 -0.00386726 2 H 1.0000 -0.05163988 0.00000000 0.94188081 3 H 1.0000 0.99860515 0.00000000 -0.35758782 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.2977378115 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.4491067356 0.0000000000 1.0456891215 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF output vectors = ./h2o_opt_dat.movecs use symmetry = F symmetry adapt = F Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s The SCF is already converged Total SCF energy = -75.969805706633 NWChem Gradients Module ----------------------- wavefunction = RHF RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 2 H -0.097585 0.000000 1.779897 -0.000002 0.000000 -0.000001 3 H 1.887090 0.000000 -0.675743 0.124923 -0.000000 -0.038537 Sending upstream hdr.cmd = CMD_STDOUT | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | Sending upstream hdr.cmd = CMD_STDOUT ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 5 -75.96980571 -2.4D-08 0.00000 0.00000 0.00014 0.00025 5.4 ok ok ok ok Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 0.13073 3 Bend HOH 3 1 2 101.32125 0.00000 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 101.32125 0.00000 ---------------------- Optimization converged ---------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- @ 5 -75.96980571 -2.4D-08 0.00000 0.00000 0.00014 0.00025 5.4 ok ok ok ok Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 0.13073 3 Bend HOH 3 1 2 101.32125 0.00000 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 101.32125 0.00000 Geometry "geometry" -> "h2o_c1" ------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.14807779 0.00000000 -0.00386726 2 H 1.0000 -0.05163988 0.00000000 0.94188081 3 H 1.0000 0.99860515 0.00000000 -0.35758782 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.2977378115 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.4491067356 0.0000000000 1.0456891215 Final and change from initial internal coordinates -------------------------------------------------- Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Change ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.24935 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 101.32125 -6.67875 ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 H | 1 O | 1.79647 | 0.95065 ------------------------------------------------------------------------------ number of included internuclear distances: 1 ============================================================================== Task times cpu: 5.0s wall: 5.3s Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- Deleted DRIVER restart files NWChem Geometry Optimization ---------------------------- maximum gradient threshold (gmax) = 0.000450 rms gradient threshold (grms) = 0.000300 maximum cartesian step threshold (xmax) = 0.001800 rms cartesian step threshold (xrms) = 0.001200 fixed trust radius (trust) = 0.300000 maximum step size to saddle (sadstp) = 0.100000 energy precision (eprec) = 1.0D-07 initial hessian option (inhess) = 0 line search option (linopt) = 1 hessian update option (modupd) = 1 saddle point option (modsad) = 0 initial eigen-mode to follow (moddir) = 0 initial variable to follow (vardir) = 0 follow first negative mode (firstneg) = T apply conjugacy (opcg) = F source of zmatrix = user Sending upstream hdr.cmd = CMD_STDOUT ------------------- Energy Minimization ------------------- Sending upstream hdr.cmd = CMD_STDOUT Names of Z-matrix variables 1 OH1 2 OH2 3 HOH Variables with the same non-blank name are constrained to be equal Number of frozen variables = 1 Frozen variables = 2 Using diagonal initial Hessian Scaling for Hessian diagonals: bonds = 1.00 angles = 0.25 torsions = 0.10 -------- Step 0 -------- Geometry "geometry" -> "h2o_c2v" -------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.14106846 -0.00000000 0.00000000 2 H 1.0000 0.56427384 -0.97082039 0.00000000 3 H 1.0000 0.56427384 0.97082039 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 7.3282379250 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 5.4s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- !! scf_movecs_sym_adapt: 19 vectors were symmetry contaminated Symmetry fudging !! scf_movecs_sym_adapt: 18 vectors were symmetry contaminated Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a" 4 a' 5 a' 6 a' 7 a' 8 a' 9 a' 10 a' 11 a' 12 a' 13 a' 14 a" 15 a" Starting SCF solution at 5.4s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.6128260612 1.76D+00 7.86D-01 5.1 2 -75.8518673689 9.13D-01 3.33D-01 5.3 3 -75.9154852270 4.23D-01 1.96D-01 5.4 4 -75.9250577479 1.46D-01 6.94D-02 5.5 5 -75.9278843072 4.44D-03 2.48D-03 5.7 6 -75.9278877753 9.22D-06 3.51D-06 6.0 Final RHF results ------------------ Total SCF energy = -75.927887775277 One-electron energy = -119.592291221013 Two-electron energy = 36.336165520778 Nuclear repulsion energy = 7.328237924958 Time for solution = 0.9s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.6012 2 -1.2501 3 -0.5989 4 -0.5216 5 -0.4882 6 0.1453 7 0.2280 8 0.9418 9 0.9530 10 1.1327 11 1.1677 12 1.3621 13 1.4022 14 2.0765 15 2.0800 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.250098D+00 Symmetry=a' MO Center= -3.4D-02, 1.9D-07, 0.0D+00, r^2= 5.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.511378 1 O s 2 0.490735 1 O s 1 -0.217990 1 O s Vector 3 Occ=2.000000D+00 E=-5.988846D-01 Symmetry=a' MO Center= 1.3D-01, -1.0D-06, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.470701 1 O py 8 0.335312 1 O py 16 -0.206755 2 H s 18 0.206755 3 H s 17 -0.171527 2 H s 19 0.171526 3 H s Vector 4 Occ=2.000000D+00 E=-5.215883D-01 Symmetry=a' MO Center= -6.1D-02, 3.3D-07, 0.0D+00, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.530122 1 O px 7 0.405235 1 O px 6 -0.258528 1 O s Vector 5 Occ=2.000000D+00 E=-4.882251D-01 Symmetry=a" MO Center= -1.3D-01, -1.3D-07, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.649345 1 O pz 9 0.501330 1 O pz Vector 6 Occ=0.000000D+00 E= 1.452813D-01 Symmetry=a' MO Center= 5.6D-01, 2.5D-06, 0.0D+00, r^2= 2.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.922165 1 O s 17 -0.822329 2 H s 19 -0.822331 3 H s 7 0.498958 1 O px 3 0.300248 1 O px Vector 7 Occ=0.000000D+00 E= 2.280090D-01 Symmetry=a' MO Center= 5.4D-01, -2.3D-06, 0.0D+00, r^2= 2.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 0.973823 2 H s 19 -0.973821 3 H s 8 0.721684 1 O py 4 0.392560 1 O py Vector 8 Occ=0.000000D+00 E= 9.418223D-01 Symmetry=a' MO Center= 6.0D-01, 2.5D-05, 0.0D+00, r^2= 1.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 0.818460 2 H s 18 0.818482 3 H s 6 0.776888 1 O s 17 -0.770728 2 H s 19 -0.770752 3 H s 2 -0.344766 1 O s 3 -0.306890 1 O px 15 -0.186019 1 O dzz Vector 9 Occ=0.000000D+00 E= 9.530187D-01 Symmetry=a' MO Center= 4.5D-01, -2.5D-05, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 -0.886085 2 H s 19 0.886064 3 H s 16 0.835946 2 H s 18 -0.835924 3 H s 11 -0.339141 1 O dxy 4 0.268009 1 O py Vector 10 Occ=0.000000D+00 E= 1.132664D+00 Symmetry=a' MO Center= -6.3D-01, 6.9D-07, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.112032 1 O s 2 -1.063369 1 O s 3 0.646814 1 O px 7 -0.566727 1 O px 10 -0.380566 1 O dxx 13 -0.372380 1 O dyy 15 -0.364923 1 O dzz 17 -0.259807 2 H s 19 -0.259808 3 H s MO Center= -1.4D-01, 1.2D-08, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function Sending upstream hdr.cmd = CMD_STDOUT 9 -1.041170 1 O pz 5 0.956241 1 O pz Sending upstream hdr.cmd = CMD_STDOUT Vector 12 Occ=0.000000D+00 E= 1.362146D+00 Symmetry=a' MO Center= -2.7D-01, -2.9D-07, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.420890 1 O py 4 -0.974140 1 O py 17 0.428748 2 H s 19 -0.428748 3 H s 11 -0.247934 1 O dxy 16 0.151422 2 H s 18 -0.151422 3 H s Vector 13 Occ=0.000000D+00 E= 1.402186D+00 Symmetry=a' MO Center= 3.8D-01, -1.9D-07, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.478929 1 O s 2 -1.111258 1 O s 7 1.111847 1 O px 3 -0.689735 1 O px 13 -0.560196 1 O dyy 17 -0.430086 2 H s 19 -0.430086 3 H s 10 -0.335463 1 O dxx 16 -0.329648 2 H s 18 -0.329648 3 H s Vector 14 Occ=0.000000D+00 E= 2.076461D+00 Symmetry=a' MO Center= -1.8D-01, 3.5D-08, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 1.009239 1 O dxx 13 -0.555854 1 O dyy 15 -0.409762 1 O dzz Vector 15 Occ=0.000000D+00 E= 2.079960D+00 Symmetry=a" MO Center= -1.4D-01, 1.1D-07, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.732051 1 O dyz center of mass -------------- x = -0.11740896 y = -0.00000000 z = 0.00000000 moments of inertia (a.u.) ------------------ 6.784073987188 0.000000000000 0.000000000000 0.000000000000 3.180293791169 0.000000000000 0.000000000000 0.000000000000 9.964367778357 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.77 2.00 0.92 2.70 0.99 2.12 0.05 2 H 1 0.61 0.37 0.25 3 H 1 0.61 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.892662 0.000000 0.000000 1 0 1 0 0.000002 0.000000 0.000000 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.549778 0.000000 2.842612 2 1 1 0 -0.000000 0.000000 -0.000000 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -2.543336 0.000000 6.731401 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.718035 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.266581 -0.000000 0.000000 -0.135501 0.000000 0.000000 2 H 1.066323 -1.834585 0.000000 0.067751 -0.113166 0.000000 3 H 1.066323 1.834585 0.000000 0.067750 0.113166 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- @ Step Energy Delta E Gmax Grms Xrms Xmax Walltime @ ---- ---------------- -------- -------- -------- -------- -------- -------- @ 0 -75.92788778 0.0D+00 0.13138 0.07628 0.00000 0.00000 6.5 Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 1.20000 0.13138 2*Stretch OH2 3 1 1.20000 0.13138 3 Bend HOH 3 1 2 108.00000 0.01405 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 1.20000 0.13138 2*Stretch OH2 3 1 1.20000 -0.00000 3 Bend HOH 3 1 2 108.00000 0.01405 Restricting large step in mode 1 eval= 2.3D-01 step=-5.8D-01 new=-3.0D-01 Restricting large step in mode 3 eval= 4.4D-02 step=-3.2D-01 new=-3.0D-01 Restricting overall step due to large component. alpha= 1.00 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs Sending upstream hdr.cmd = CMD_STDOUT use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 6.5s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 6.5s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9563150933 2.79D-01 1.06D-01 6.2 2 -75.9617716725 9.96D-02 5.08D-02 6.3 3 -75.9625364995 6.82D-03 2.66D-03 6.4 4 -75.9625416833 2.78D-05 1.40D-05 6.7 Final RHF results ------------------ Total SCF energy = -75.962541683317 One-electron energy = -120.645755042645 Two-electron energy = 36.779488758685 Nuclear repulsion energy = 7.903724600642 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5936 2 -1.2825 3 -0.6256 4 -0.5474 5 -0.4943 6 0.1631 7 0.2560 8 0.9334 9 1.0391 10 1.1310 11 1.1650 12 1.3466 13 1.4545 14 2.0427 15 2.0667 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.282468D+00 Symmetry=a' MO Center= -1.1D-02, -9.3D-02, 0.0D+00, r^2= 5.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.490473 1 O s 2 0.483812 1 O s 1 -0.214597 1 O s Vector 3 Occ=2.000000D+00 E=-6.255617D-01 Symmetry=a' MO Center= 7.6D-02, -6.2D-02, 0.0D+00, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.467984 1 O py 8 0.315438 1 O py 16 -0.246684 2 H s 3 -0.164935 1 O px 17 -0.163486 2 H s 18 0.162871 3 H s Vector 4 Occ=2.000000D+00 E=-5.474474D-01 Symmetry=a' MO Center= -7.0D-02, 5.9D-02, 0.0D+00, r^2= 8.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.502891 1 O px 7 0.378315 1 O px 6 -0.270062 1 O s 18 0.198693 3 H s 19 0.187609 3 H s 2 -0.152031 1 O s Vector 5 Occ=2.000000D+00 E=-4.942733D-01 Symmetry=a" MO Center= -1.4D-01, -6.0D-02, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.647031 1 O pz 9 0.503689 1 O pz Vector 6 Occ=0.000000D+00 E= 1.631210D-01 Symmetry=a' MO Center= 6.1D-01, 4.2D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.038692 3 H s 6 0.977095 1 O s 17 -0.626167 2 H s 7 0.505738 1 O px 3 0.275734 1 O px 8 0.202842 1 O py Vector 7 Occ=0.000000D+00 E= 2.560377D-01 Symmetry=a' MO Center= 6.2D-01, -5.3D-01, 0.0D+00, r^2= 2.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.414480 2 H s 19 -0.755100 3 H s 8 0.703300 1 O py 6 -0.474111 1 O s 4 0.350408 1 O py 7 -0.186933 1 O px Vector 8 Occ=0.000000D+00 E= 9.333521D-01 Symmetry=a' MO Center= 4.6D-01, 6.8D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.151533 3 H s 18 1.091719 3 H s 6 0.463055 1 O s 16 -0.414331 2 H s 17 0.408587 2 H s 11 0.294879 1 O dxy 2 -0.188981 1 O s 4 -0.177018 1 O py 3 -0.153040 1 O px Vector 9 Occ=0.000000D+00 E= 1.039063D+00 Symmetry=a' MO Center= 4.7D-01, -4.9D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 1.101203 2 H s 17 -0.889372 2 H s 6 0.870281 1 O s 2 -0.475738 1 O s 18 0.367592 3 H s 19 -0.364360 3 H s 3 -0.303039 1 O px 8 0.236728 1 O py 15 -0.237577 1 O dzz 11 -0.178962 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.131016D+00 Symmetry=a' MO Center= -6.5D-01, -5.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.972767 1 O s 2 -0.985073 1 O s 3 0.699770 1 O px 7 -0.598425 1 O px 10 -0.365837 1 O dxx 13 -0.357547 1 O dyy 15 -0.333305 1 O dzz 19 -0.202717 3 H s 17 -0.178558 2 H s Vector 11 Occ=0.000000D+00 E= 1.165040D+00 Symmetry=a" MO Center= -1.5D-01, -5.7D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039901 1 O pz 5 0.957804 1 O pz Vector 12 Occ=0.000000D+00 E= 1.346638D+00 Symmetry=a' MO Center= -2.0D-01, -1.4D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.433496 1 O py 4 -0.996717 1 O py 17 0.737986 2 H s 19 -0.473081 3 H s 6 -0.379321 1 O s Vector 13 Occ=0.000000D+00 E= 1.454526D+00 Symmetry=a' MO Center= 3.3D-01, -3.9D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.738585 1 O s 7 1.213057 1 O px 2 -1.159917 1 O s 17 -0.636732 2 H s 3 -0.630430 1 O px 13 -0.582962 1 O dyy 18 -0.439555 3 H s 10 -0.386863 1 O dxx 16 -0.383828 2 H s 19 -0.347660 3 H s Vector 14 Occ=0.000000D+00 E= 2.042679D+00 Symmetry=a' MO Center= -1.9D-01, -5.5D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.974964 1 O dxx 13 -0.691817 1 O dyy 15 -0.243060 1 O dzz Vector 15 Occ=0.000000D+00 E= 2.066750D+00 Symmetry=a" MO Center= -1.6D-01, -4.9D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.603796 1 O dyz 12 -0.653569 1 O dxz center of mass -------------- x = -0.13896093 y = -0.09028759 z = 0.00000000 moments of inertia (a.u.) ------------------ 5.282475541849 -0.530741740759 0.000000000000 -0.530741740759 3.371668710375 0.000000000000 0.000000000000 0.000000000000 8.654144252224 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.80 2.00 0.92 2.75 0.98 2.09 0.06 2 H 1 0.58 0.43 0.15 3 H 1 0.63 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.947182 0.000000 -0.181299 1 0 1 0 0.043204 0.000000 -0.759515 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.364742 0.000000 3.017276 2 1 1 0 0.042806 0.000000 0.501060 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.069206 0.000000 5.294481 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.609124 0.000000 0.000000 Line search: step= 1.00 grad=-4.4D-02 hess= 9.0D-03 energy= -75.962542 mode=downhill new step= 2.43 predicted energy= -75.980916 -------- Step 1 -------- Geometry "geometry" -> "h2o_c2v" -------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.14895156 -0.14356493 0.00000000 2 H 1.0000 0.50678504 -0.62598910 0.00000000 3 H 1.0000 0.62964574 0.76955404 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 9.1058368591 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.1042782472 -1.8990887181 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s -------------------------- Sending upstream hdr.cmd = CMD_STDOUT a' 15 a" 4 Forming initial guess at 7.2s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 7.2s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Sending upstream hdr.cmd = CMD_STDOUT Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9105756132 5.68D-01 2.21D-01 6.8 2 -75.9308001631 1.90D-01 9.41D-02 6.9 3 -75.9334869388 1.18D-02 5.83D-03 7.1 4 -75.9335037478 6.84D-05 3.09D-05 7.3 Final RHF results ------------------ Total SCF energy = -75.933503747802 One-electron energy = -122.681574623370 Two-electron energy = 37.642234016505 Nuclear repulsion energy = 9.105836859063 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a" 11 a' 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5754 2 -1.3672 3 -0.6753 4 -0.5736 5 -0.5069 6 0.1605 7 0.3009 8 0.9040 9 1.1117 10 1.1618 11 1.2397 12 1.4384 13 1.5049 14 1.9957 15 2.0329 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.367210D+00 Symmetry=a' MO Center= 7.0D-02, -2.2D-01, 0.0D+00, r^2= 4.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.472251 1 O s 6 0.418978 1 O s 1 -0.208278 1 O s 16 0.192101 2 H s Vector 3 Occ=2.000000D+00 E=-6.753239D-01 Symmetry=a' MO Center= -8.8D-02, -6.9D-02, 0.0D+00, r^2= 6.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 -0.400028 1 O py 3 0.365223 1 O px 6 -0.307659 1 O s 16 0.267366 2 H s 8 -0.236286 1 O py 7 0.196184 1 O px Vector 4 Occ=2.000000D+00 E=-5.736441D-01 Symmetry=a' MO Center= 6.8D-03, 4.2D-02, 0.0D+00, r^2= 9.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 0.299008 1 O px 18 0.242129 3 H s Sending upstream hdr.cmd = CMD_STDOUT 8 0.226691 1 O py 6 -0.224834 1 O s 19 0.222445 3 H s Vector 5 Occ=2.000000D+00 E=-5.069297D-01 Symmetry=a" MO Center= -1.3D-01, -1.5D-01, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.646387 1 O pz 9 0.503935 1 O pz Vector 6 Occ=0.000000D+00 E= 1.605252D-01 Symmetry=a' MO Center= 6.5D-01, 5.1D-01, 0.0D+00, r^2= 1.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.095422 3 H s 6 -0.964047 1 O s 17 0.489434 2 H s 7 -0.453408 1 O px 8 -0.351047 1 O py 4 -0.234618 1 O py 3 -0.226509 1 O px Vector 7 Occ=0.000000D+00 E= 3.009381D-01 Symmetry=a' MO Center= 7.7D-01, -7.0D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 2.006067 2 H s 6 -1.080707 1 O s 19 -0.754047 3 H s 8 0.641316 1 O py 7 -0.341833 1 O px 4 0.269744 1 O py Vector 8 Occ=0.000000D+00 E= 9.039651D-01 Symmetry=a' MO Center= 4.6D-01, 6.5D-01, 0.0D+00, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.167084 3 H s 18 1.063024 3 H s 6 0.672942 1 O s 16 -0.398346 2 H s 7 0.363702 1 O px 11 0.230316 1 O dxy 2 -0.214601 1 O s 3 -0.212791 1 O px 17 0.189754 2 H s 8 -0.188042 1 O py Vector 9 Occ=0.000000D+00 E= 1.111748D+00 Symmetry=a' MO Center= -5.7D-01, 7.3D-02, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.804381 1 O s 2 -0.993605 1 O s 7 -0.732156 1 O px 3 0.536025 1 O px 19 -0.403379 3 H s 16 0.386336 2 H s 15 -0.374747 1 O dzz 10 -0.353094 1 O dxx 8 0.345493 1 O py 13 -0.325413 1 O dyy Vector 10 Occ=0.000000D+00 E= 1.161846D+00 Symmetry=a" MO Center= -1.5D-01, -1.4D-01, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039712 1 O pz 5 0.958117 1 O pz Vector 11 Occ=0.000000D+00 E= 1.239696D+00 Symmetry=a' MO Center= -1.0D-01, -3.3D-01, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.093647 1 O py 16 0.791890 2 H s 3 -0.556096 1 O px 4 -0.542598 1 O py 19 -0.505868 3 H s 6 -0.490923 1 O s 17 0.211484 2 H s 11 -0.201809 1 O dxy 18 0.197867 3 H s Vector 12 Occ=0.000000D+00 E= 1.438383D+00 Symmetry=a' MO Center= 2.3D-01, -5.1D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.362872 1 O s 17 -1.359664 2 H s 8 -0.963901 1 O py 4 0.802644 1 O py 2 -0.659673 1 O s 16 0.636703 2 H s 3 -0.443704 1 O px 7 0.343354 1 O px 19 0.332313 3 H s 15 -0.302929 1 O dzz Vector 13 Occ=0.000000D+00 E= 1.504873D+00 Symmetry=a' MO Center= 2.3D-01, -7.2D-02, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.157879 1 O s 7 1.336597 1 O px 2 -1.176539 1 O s 17 -0.991185 2 H s 18 -0.577260 3 H s 16 -0.544477 2 H s 13 -0.519570 1 O dyy 10 -0.498098 1 O dxx 3 -0.430775 1 O px 4 -0.218119 1 O py Vector 14 Occ=0.000000D+00 E= 1.995712D+00 Symmetry=a' MO Center= -1.7D-01, -1.4D-01, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 -0.863423 1 O dyy 10 0.812079 1 O dxx 11 0.427076 1 O dxy Vector 15 Occ=0.000000D+00 E= 2.032878D+00 Symmetry=a" MO Center= -1.7D-01, -1.3D-01, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.403703 1 O dxz 14 -1.012774 1 O dyz center of mass -------------- x = -0.12980507 y = -0.22575489 z = 0.00000000 moments of inertia (a.u.) ------------------ 3.801053791471 -1.295788579992 0.000000000000 -1.295788579992 3.314982133863 0.000000000000 0.000000000000 0.000000000000 7.116035925334 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.78 2.00 0.92 2.86 0.94 2.00 0.07 2 H 1 0.57 0.54 0.03 3 H 1 0.65 0.38 0.27 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.981336 0.000000 -0.104278 1 0 1 0 0.135918 0.000000 -1.899089 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.111849 0.000000 2.966759 2 1 1 0 0.116976 0.000000 1.208371 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.629051 0.000000 4.103020 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.431130 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.281478 -0.271298 0.000000 0.089015 -0.259844 0.000000 2 H 0.957685 -1.182948 0.000000 -0.186931 0.184937 0.000000 3 H 1.189858 1.454246 0.000000 0.097916 0.074907 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Internal coordinate gradient before constraints Sending upstream hdr.cmd = CMD_STDOUT Z-matrix (user) -------- Sending upstream hdr.cmd = CMD_STDOUT Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.81408 -0.26017 2*Stretch OH2 3 1 1.20000 0.12053 3 Bend HOH 3 1 2 85.88832 -0.03109 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.81408 -0.26017 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 85.88832 -0.03109 Restricting large step in mode 1 eval= 4.2D-02 step= 4.9D-01 new= 3.0D-01 Restricting large step in mode 2 eval= 5.2D-01 step= 5.0D-01 new= 3.0D-01 Restricting overall step due to large component. alpha= 0.96 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 7.9s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a" 11 a' 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 7.9s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9578609303 3.92D-01 1.62D-01 7.5 2 -75.9673445714 1.29D-01 6.28D-02 7.6 3 -75.9685803082 8.67D-03 5.51D-03 7.8 4 -75.9685925394 7.02D-05 3.50D-05 8.0 Final RHF results ------------------ Total SCF energy = -75.968592539417 One-electron energy = -121.283827275977 Two-electron energy = 37.050455454677 Nuclear repulsion energy = 8.264779281883 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5877 2 -1.3057 3 -0.6431 4 -0.5571 5 -0.4978 6 0.1651 7 0.2731 8 0.9243 9 1.0998 10 1.1384 11 1.1641 12 1.3533 13 1.4746 14 2.0249 15 2.0563 ROHF Final Molecular Orbital Analysis ------------------------------------- MO Center= 1.3D-02, -1.4D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480028 1 O s 6 0.472147 1 O s 1 -0.212449 1 O s Sending upstream hdr.cmd = CMD_STDOUT Sending upstream hdr.cmd = CMD_STDOUT Vector 3 Occ=2.000000D+00 E=-6.431203D-01 Symmetry=a' MO Center= 2.9D-02, -6.7D-02, 0.0D+00, r^2= 8.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.454130 1 O py 8 0.294029 1 O py 6 0.190303 1 O s 17 -0.150269 2 H s Sending upstream hdr.cmd = CMD_STDOUT Vector 4 Occ=2.000000D+00 E=-5.570515D-01 Symmetry=a' MO Center= -5.1D-02, 6.4D-02, 0.0D+00, r^2= 8.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.475069 1 O px 7 0.356945 1 O px 6 -0.261235 1 O s 18 0.216676 3 H s 19 0.201474 3 H s 4 0.192320 1 O py 2 -0.150345 1 O s Vector 5 Occ=2.000000D+00 E=-4.978274D-01 Symmetry=a" MO Center= -1.4D-01, -8.8D-02, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.646130 1 O pz 9 0.504545 1 O pz Vector 6 Occ=0.000000D+00 E= 1.650660D-01 Symmetry=a' MO Center= 6.3D-01, 5.0D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.083344 3 H s 6 -0.973486 1 O s 17 0.550771 2 H s 7 -0.491177 1 O px 8 -0.268740 1 O py 3 -0.258597 1 O px 4 -0.178864 1 O py Vector 7 Occ=0.000000D+00 E= 2.730510D-01 Symmetry=a' MO Center= 6.7D-01, -6.5D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.618699 2 H s 19 -0.706687 3 H s 6 -0.695110 1 O s 8 0.685433 1 O py 4 0.320344 1 O py 7 -0.251555 1 O px Vector 8 Occ=0.000000D+00 E= 9.242899D-01 Symmetry=a' MO Center= 4.6D-01, 6.8D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.159833 3 H s 18 1.086393 3 H s 6 0.535904 1 O s 16 -0.403070 2 H s 17 0.339904 2 H s 11 0.276842 1 O dxy 7 0.208473 1 O px 2 -0.204987 1 O s 3 -0.172140 1 O px 4 -0.151312 1 O py Vector 9 Occ=0.000000D+00 E= 1.099850D+00 Symmetry=a' MO Center= 1.6D-01, -1.7D-01, 0.0D+00, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.484888 1 O s 16 0.987548 2 H s 2 -0.832970 1 O s 17 -0.710045 2 H s 19 -0.448573 3 H s 8 0.428178 1 O py 15 -0.361276 1 O dzz 18 0.319570 3 H s 7 -0.308965 1 O px 10 -0.221076 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.138359D+00 Symmetry=a' MO Center= -4.6D-01, -2.7D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.449570 1 O s 3 0.792594 1 O px 2 -0.677760 1 O s 7 -0.546672 1 O px 16 -0.494014 2 H s 13 -0.302488 1 O dyy 10 -0.298211 1 O dxx 15 -0.195215 1 O dzz 8 -0.185857 1 O py Vector 11 Occ=0.000000D+00 E= 1.164139D+00 Symmetry=a" MO Center= -1.5D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039435 1 O pz 5 0.958398 1 O pz Vector 12 Occ=0.000000D+00 E= 1.353340D+00 Symmetry=a' MO Center= -1.1D-01, -2.6D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.399033 1 O py 4 -0.997671 1 O py 17 0.950065 2 H s 6 -0.649221 1 O s 19 -0.475399 3 H s 2 0.266479 1 O s 16 -0.165413 2 H s Vector 13 Occ=0.000000D+00 E= 1.474560D+00 Symmetry=a' MO Center= 3.1D-01, -5.8D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.898882 1 O s 7 1.261233 1 O px 2 -1.186125 1 O s 17 -0.768242 2 H s 3 -0.586507 1 O px 13 -0.580102 1 O dyy 18 -0.487518 3 H s 10 -0.417046 1 O dxx 16 -0.414341 2 H s 19 -0.299742 3 H s Vector 14 Occ=0.000000D+00 E= 2.024941D+00 Symmetry=a' MO Center= -1.9D-01, -8.2D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.943315 1 O dxx 13 -0.750424 1 O dyy 11 0.173256 1 O dxy 15 -0.161334 1 O dzz Vector 15 Occ=0.000000D+00 E= 2.056270D+00 Symmetry=a" MO Center= -1.6D-01, -7.2D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.430671 1 O dyz 12 -0.975464 1 O dxz center of mass -------------- x = -0.13725839 y = -0.13300473 z = 0.00000000 moments of inertia (a.u.) ------------------ 4.705056097458 -0.808296959864 0.000000000000 -0.808296959864 3.363932239399 0.000000000000 0.000000000000 0.000000000000 8.068988336857 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.80 2.00 0.92 2.78 0.97 2.07 0.06 2 H 1 0.56 0.46 0.10 3 H 1 0.63 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.961859 0.000000 -0.166977 1 0 1 0 0.066369 0.000000 -1.118858 2 2 0 0 -4.281249 0.000000 3.010583 2 1 1 0 0.076821 0.000000 0.762893 Sending upstream hdr.cmd = CMD_STDOUT 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.268693 0.000000 4.783583 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.549355 0.000000 0.000000 Line search: step= 0.96 grad=-8.5D-02 hess= 5.0D-02 energy= -75.968593 mode=downhill new step= 0.85 predicted energy= -75.969276 -------- Step 2 -------- Geometry "geometry" -> "h2o_c2v" -------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.15396121 -0.09149728 0.00000000 2 H 1.0000 0.52966707 -0.74093755 0.00000000 3 H 1.0000 0.61177337 0.83243484 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.3533579126 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.1705463735 -1.2103335169 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 8.6s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 8.6s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9679909489 4.22D-02 1.73D-02 8.1 2 -75.9681214503 9.26D-04 5.23D-04 8.3 3 -75.9681215711 6.38D-06 2.97D-06 8.5 Final RHF results ------------------ Total SCF energy = -75.968121571068 One-electron energy = -121.436201914084 Two-electron energy = 37.114722430453 Nuclear repulsion energy = 8.353357912563 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" ----------------- Sending upstream hdr.cmd = CMD_STDOUT 1 1 -20.5864 2 -1.3119 3 -0.6469 4 -0.5593 5 -0.4988 6 0.1650 7 0.2767 8 0.9218 9 1.1087 10 1.1457 11 1.1639 12 1.3569 13 1.4795 14 2.0207 15 2.0537 ROHF Final Molecular Orbital Analysis ------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT Vector 2 Occ=2.000000D+00 E=-1.311898D+00 Symmetry=a' MO Center= 1.8D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.479139 1 O s 6 0.467141 1 O s 1 -0.211933 1 O s Vector 3 Occ=2.000000D+00 E=-6.469400D-01 Symmetry=a' MO Center= 1.6D-02, -6.7D-02, 0.0D+00, r^2= 8.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.449227 1 O py 8 0.287968 1 O py 16 -0.260301 2 H s 3 -0.254659 1 O px 6 0.205187 1 O s Vector 4 Occ=2.000000D+00 E=-5.593295D-01 Symmetry=a' MO Center= -4.5D-02, 6.3D-02, 0.0D+00, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.466467 1 O px 7 0.350593 1 O px 6 -0.258032 1 O s 18 0.220568 3 H s 4 0.207198 1 O py 19 0.204562 3 H s 8 0.159296 1 O py Vector 5 Occ=2.000000D+00 E=-4.988101D-01 Symmetry=a" MO Center= -1.4D-01, -9.5D-02, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.646030 1 O pz 9 0.504620 1 O pz Vector 6 Occ=0.000000D+00 E= 1.650143D-01 Symmetry=a' MO Center= 6.3D-01, 5.1D-01, 0.0D+00, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT 17 0.538061 2 H s 7 -0.487569 1 O px 8 -0.281270 1 O py 3 -0.254820 1 O px 4 -0.187212 1 O py Vector 7 Occ=0.000000D+00 E= 2.766623D-01 Symmetry=a' MO Center= 6.8D-01, -6.7D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.663827 2 H s 6 -0.742206 1 O s 19 -0.703710 3 H s 8 0.680216 1 O py 4 0.313621 1 O py 7 -0.265005 1 O px Sending upstream hdr.cmd = CMD_STDOUT Vector 8 Occ=0.000000D+00 E= 9.218353D-01 Symmetry=a' MO Center= 4.6D-01, 6.7D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.161321 3 H s 18 1.083729 3 H s 6 0.551649 1 O s 16 -0.403232 2 H s 17 0.325259 2 H s 11 0.271957 1 O dxy 7 0.225223 1 O px 2 -0.207231 1 O s 3 -0.176328 1 O px Vector 9 Occ=0.000000D+00 E= 1.108686D+00 Symmetry=a' MO Center= -7.1D-02, -2.8D-02, 0.0D+00, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.754340 1 O s 2 -0.966063 1 O s 16 0.842255 2 H s 17 -0.618466 2 H s 19 -0.454306 3 H s 7 -0.443852 1 O px 8 0.422074 1 O py 15 -0.397858 1 O dzz 18 0.283731 3 H s 10 -0.281652 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.145725D+00 Symmetry=a' MO Center= -2.6D-01, -3.8D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.069891 1 O s 3 0.783786 1 O px 16 -0.702986 2 H s 2 -0.457868 1 O s 7 -0.455183 1 O px 8 -0.326774 1 O py 13 -0.247594 1 O dyy 10 -0.240380 1 O dxx 17 0.228869 2 H s 18 -0.180724 3 H s Vector 11 Occ=0.000000D+00 E= 1.163871D+00 Symmetry=a" MO Center= -1.5D-01, -9.1D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039389 1 O pz 5 0.958460 1 O pz Vector 12 Occ=0.000000D+00 E= 1.356878D+00 Symmetry=a' MO Center= -8.5D-02, -2.9D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.378544 1 O py 17 1.003935 2 H s 4 -0.993535 1 O py 6 -0.719089 1 O s 19 -0.471389 3 H s 2 0.300559 1 O s 16 -0.212244 2 H s 7 -0.165572 1 O px Vector 13 Occ=0.000000D+00 E= 1.479538D+00 Symmetry=a' MO Center= 3.0D-01, -6.2D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.933048 1 O s 7 1.273739 1 O px 2 -1.189374 1 O s 17 -0.797763 2 H s 3 -0.574165 1 O px 13 -0.576509 1 O dyy 18 -0.499736 3 H s 10 -0.425880 1 O dxx 16 -0.424948 2 H s 19 -0.286793 3 H s Vector 14 Occ=0.000000D+00 E= 2.020671D+00 Symmetry=a' MO Center= -1.9D-01, -8.8D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.931891 1 O dxx 13 -0.766350 1 O dyy 11 0.198590 1 O dxy Vector 15 Occ=0.000000D+00 E= 2.053660D+00 Symmetry=a" MO Center= -1.6D-01, -7.9D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.379910 1 O dyz 12 -1.045910 1 O dxz center of mass -------------- x = -0.13768272 y = -0.14387886 z = 0.00000000 moments of inertia (a.u.) ------------------ 4.575084263376 -0.868257113047 0.000000000000 -0.868257113047 3.369210894955 0.000000000000 0.000000000000 0.000000000000 7.944295158331 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.80 2.00 0.92 2.79 0.97 2.06 0.07 2 H 1 0.56 0.47 0.09 3 H 1 0.64 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 1 1 0 0 0.965609 0.000000 -0.170546 1 0 1 0 0.073415 0.000000 -1.210334 Sending upstream hdr.cmd = CMD_STDOUT 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.260436 0.000000 3.015572 2 1 1 0 0.081492 0.000000 0.819586 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.318793 0.000000 4.674203 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.535724 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.290945 -0.172905 0.000000 -0.090764 -0.108573 0.000000 2 H 1.000926 -1.400169 0.000000 0.001399 0.018018 0.000000 Sending upstream hdr.cmd = CMD_STDOUT 3 H 1.156084 1.573074 0.000000 0.089365 0.090556 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- @ 2 -75.96812157 -3.5D-02 0.01323 0.01008 0.09366 0.22505 9.2 Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94293 -0.01140 Sending upstream hdr.cmd = CMD_STDOUT 2*Stretch OH2 3 1 1.20000 0.12675 3 Bend HOH 3 1 2 93.87972 -0.01323 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94293 -0.01140 2*Stretch OH2 3 1 1.20000 -0.00000 3 Bend HOH 3 1 2 93.87972 -0.01323 Restricting large step in mode 1 eval= 4.0D-02 step= 3.2D-01 new= 3.0D-01 Restricting overall step due to large component. alpha= 1.00 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF Sending upstream hdr.cmd = CMD_STDOUT input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 9.2s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 9.2s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9687918786 1.10D-01 4.84D-02 8.7 2 -75.9696876633 6.33D-03 2.76D-03 8.9 3 -75.9696923795 3.58D-05 1.67D-05 9.1 Final RHF results ------------------ Total SCF energy = -75.969692379457 One-electron energy = -121.424084321937 Two-electron energy = 37.129782761632 Nuclear repulsion energy = 8.324609180847 Time for solution = 0.4s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5809 2 -1.3047 3 -0.6565 4 -0.5455 5 -0.4946 6 0.1660 7 0.2791 8 0.9364 9 1.1031 10 1.1471 11 1.1670 12 1.3668 13 1.4387 14 2.0392 15 2.0524 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304711D+00 Symmetry=a' MO Center= 4.2D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480314 1 O s 6 0.469047 1 O s 1 -0.212560 1 O s Vector 3 Occ=2.000000D+00 E=-6.565196D-01 Symmetry=a' MO Center= 7.4D-02, -3.6D-02, 0.0D+00, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.467266 1 O py 8 0.300337 1 O py 16 -0.254054 2 H s 3 -0.192938 1 O px 6 0.173379 1 O s 18 0.162249 3 H s Vector 4 Occ=2.000000D+00 E=-5.455472D-01 Symmetry=a' MO Center= -4.9D-02, 4.3D-02, 0.0D+00, r^2= 8.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.506436 1 O px 7 0.382432 1 O px 6 -0.265203 1 O s 18 0.199128 3 H s 19 0.186655 3 H s Vector 5 Occ=2.000000D+00 E=-4.945690D-01 Symmetry=a" MO Center= -9.6D-02, -8.9D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.644663 1 O pz 9 0.506162 1 O pz Vector 6 Occ=0.000000D+00 E= 1.660135D-01 Symmetry=a' MO Center= 6.1D-01, 5.4D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.094922 3 H s 6 0.999035 1 O s 17 -0.557521 2 H s 7 0.467578 1 O px 8 0.268909 1 O py 3 0.248138 1 O px 4 0.177251 1 O py Vector 7 Occ=0.000000D+00 E= 2.790684D-01 Symmetry=a' MO Center= 6.6D-01, -7.1D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.643059 2 H s 6 -0.731320 1 O s 4 0.316203 1 O py 7 -0.230414 1 O px Sending upstream hdr.cmd = CMD_STDOUT MO Center= 4.9D-01, 7.9D-01, 0.0D+00, r^2= 1.3D+00 Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.164884 3 H s 18 1.134278 3 H s 6 0.567194 1 O s 11 0.261848 1 O dxy 16 -0.256601 2 H s 2 -0.230747 1 O s 17 0.215972 2 H s 3 -0.189717 1 O px 4 -0.176624 1 O py 7 0.168465 1 O px Vector 9 Occ=0.000000D+00 E= 1.103079D+00 Symmetry=a' MO Center= 1.4D-01, -2.4D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.139247 1 O s 16 1.073112 2 H s 2 -0.692124 1 O s 17 -0.647525 2 H s 8 0.509229 1 O py 7 -0.399306 1 O px 19 -0.341119 3 H s 15 -0.311944 1 O dzz 18 0.216465 3 H s 11 -0.209049 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.147096D+00 Symmetry=a' MO Center= -4.6D-01, -2.7D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.544281 1 O s 3 0.782738 1 O px 2 -0.710272 1 O s 7 -0.556049 1 O px 16 -0.481426 2 H s 13 -0.320461 1 O dyy 10 -0.289408 1 O dxx 15 -0.209978 1 O dzz 8 -0.182894 1 O py Vector 11 Occ=0.000000D+00 E= 1.166978D+00 Symmetry=a" MO Center= -1.1D-01, -8.5D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038712 1 O pz 5 0.959377 1 O pz Vector 12 Occ=0.000000D+00 E= 1.366837D+00 Symmetry=a' MO Center= -9.0D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.432464 1 O py 4 -1.006147 1 O py 17 0.929443 2 H s 6 -0.548612 1 O s 19 -0.472646 3 H s 2 0.222849 1 O s 16 -0.170735 2 H s Vector 13 Occ=0.000000D+00 E= 1.438708D+00 Symmetry=a' MO Center= 4.0D-01, -1.0D-01, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.075964 1 O s 2 -1.274525 1 O s 7 1.183834 1 O px 17 -0.890274 2 H s 13 -0.606993 1 O dyy 3 -0.593905 1 O px 18 -0.405836 3 H s 10 -0.382994 1 O dxx 19 -0.335169 3 H s 16 -0.306684 2 H s Vector 14 Occ=0.000000D+00 E= 2.039192D+00 Symmetry=a' MO Center= -1.5D-01, -8.1D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.996461 1 O dxx 13 -0.625398 1 O dyy 15 -0.320414 1 O dzz 6 -0.166608 1 O s Vector 15 Occ=0.000000D+00 E= 2.052447D+00 Symmetry=a" MO Center= -1.2D-01, -7.4D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.581092 1 O dyz 12 -0.706437 1 O dxz center of mass -------------- x = -0.07289183 y = -0.13394515 z = 0.00000000 moments of inertia (a.u.) ------------------ 5.202017917966 -0.811139136749 0.000000000000 -0.811139136749 2.823155988426 0.000000000000 0.000000000000 0.000000000000 8.025173906392 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.82 2.00 0.91 2.80 0.96 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.908444 0.000000 0.374486 1 0 1 0 0.077017 0.000000 -1.126770 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.363342 0.000000 2.538823 2 1 1 0 0.102706 0.000000 0.709362 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -2.947522 0.000000 5.278319 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.535796 0.000000 0.000000 Line search: step= 1.00 grad=-4.0D-03 hess= 2.4D-03 energy= -75.969692 mode=downhill new step= 0.82 predicted energy= -75.969768 -------- Step 3 -------- Geometry "geometry" -> "h2o_c2v" Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- Sending upstream hdr.cmd = CMD_STDOUT 1 O 8.0000 -0.12026036 -0.08617997 0.00000000 2 H 1.0000 0.50999122 -0.78913029 0.00000000 3 H 1.0000 0.59774837 0.87531026 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.3293373277 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2752512153 -1.1399957354 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 9.8s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 9.8s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Sending upstream hdr.cmd = CMD_STDOUT Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9697325786 1.90D-02 9.36D-03 9.3 2 -75.9697591316 3.35D-04 1.31D-04 9.5 3 -75.9697591466 2.64D-06 1.37D-06 9.7 Final RHF results ------------------ Total SCF energy = -75.969759146592 One-electron energy = -121.425727960831 Two-electron energy = 37.126631486562 Nuclear repulsion energy = 8.329337327676 Time for solution = 0.5s Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5820 2 -1.3060 3 -0.6548 4 -0.5481 5 -0.4954 6 0.1660 7 0.2786 8 0.9341 9 1.1044 10 1.1464 11 1.1664 12 1.3649 13 1.4460 14 2.0353 15 2.0528 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.305970D+00 Symmetry=a' MO Center= 3.8D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480151 1 O s 6 0.468758 1 O s 1 -0.212464 1 O s Vector 3 Occ=2.000000D+00 E=-6.548180D-01 Symmetry=a' MO Center= 6.5D-02, -4.1D-02, 0.0D+00, r^2= 8.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.465173 1 O py 8 0.298898 1 O py 16 -0.255032 2 H s 3 -0.202340 1 O px 6 0.177975 1 O s 18 0.158426 3 H s Vector 4 Occ=2.000000D+00 E=-5.481260D-01 Symmetry=a' MO Center= -5.0D-02, 4.6D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.500813 1 O px 7 0.377650 1 O px 6 -0.264804 1 O s 18 0.202569 3 H s 19 0.189346 3 H s 4 0.154255 1 O py Vector 5 Occ=2.000000D+00 E=-4.953605D-01 Symmetry=a" MO Center= -1.0D-01, -9.0D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.644925 1 O pz 9 0.505868 1 O pz Vector 6 Occ=0.000000D+00 E= 1.660327D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.094304 3 H s 6 -0.994523 1 O s 17 0.554377 2 H s 7 -0.471471 1 O px 8 -0.271248 1 O py 3 -0.249369 1 O px 4 -0.179100 1 O py Vector 7 Occ=0.000000D+00 E= 2.786199D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.646031 2 H s 6 -0.733436 1 O s 8 0.706926 1 O py 19 -0.688848 3 H s 4 0.315887 1 O py 7 -0.236674 1 O px Vector 8 Occ=0.000000D+00 E= 9.341070D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.162952 3 H s 18 1.124859 3 H s 6 0.565562 1 O s 16 -0.290375 2 H s 11 0.265242 1 O dxy 17 0.238091 2 H s 2 -0.226147 1 O s 3 -0.187189 1 O px 7 0.180675 1 O px 4 -0.171584 1 O py Vector 9 Occ=0.000000D+00 E= 1.104372D+00 Symmetry=a' MO Center= 1.2D-01, -2.0D-01, 0.0D+00, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.254559 1 O s 16 1.039847 2 H s 2 -0.744245 1 O s 17 -0.646325 2 H s 19 -0.373237 3 H s 15 -0.329567 1 O dzz Sending upstream hdr.cmd = CMD_STDOUT 18 0.239769 3 H s 10 -0.216703 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.146447D+00 Symmetry=a' MO Center= -4.4D-01, -2.9D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.483844 1 O s 3 0.784914 1 O px 2 -0.677298 1 O s 7 -0.540619 1 O px 16 -0.519163 2 H s 13 -0.312534 1 O dyy 10 -0.283359 1 O dxx 8 -0.207599 1 O py 15 -0.195128 1 O dzz Vector 11 Occ=0.000000D+00 E= 1.166395D+00 Symmetry=a" MO Center= -1.2D-01, -8.6D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038843 1 O pz 5 0.959201 1 O pz Vector 12 Occ=0.000000D+00 E= 1.364939D+00 Symmetry=a' MO Center= -8.9D-02, -2.6D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.422868 1 O py 4 -1.004285 1 O py 17 0.947934 2 H s 6 -0.596453 1 O s 19 -0.469624 3 H s 2 0.244351 1 O s 16 -0.178753 2 H s Vector 13 Occ=0.000000D+00 E= 1.446020D+00 Symmetry=a' MO Center= 3.8D-01, -9.2D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.050304 1 O s 2 -1.258955 1 O s 7 1.201032 1 O px 17 -0.868804 2 H s 13 -0.605053 1 O dyy 3 -0.590786 1 O px 18 -0.424425 3 H s 10 -0.387427 1 O dxx 16 -0.330852 2 H s 19 -0.329272 3 H s Vector 14 Occ=0.000000D+00 E= 2.035347D+00 Symmetry=a' MO Center= -1.6D-01, -8.2D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988838 1 O dxx 13 -0.650409 1 O dyy 15 -0.290145 1 O dzz 6 -0.159964 1 O s Vector 15 Occ=0.000000D+00 E= 2.052786D+00 Symmetry=a" MO Center= -1.3D-01, -7.5D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.557286 1 O dyz 12 -0.757405 1 O dxz center of mass -------------- x = -0.08468836 y = -0.13551742 z = 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) ------------------ 5.092100399185 -0.819916019256 0.000000000000 -0.819916019256 2.918917098920 0.000000000000 0.000000000000 0.000000000000 8.011017498105 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.82 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.918916 0.000000 0.275251 1 0 1 0 0.076016 0.000000 -1.139996 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.345059 0.000000 2.617928 2 1 1 0 0.098318 0.000000 0.727347 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.013209 0.000000 5.172010 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.535673 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.227259 -0.162857 0.000000 -0.073222 -0.110458 0.000000 2 H 0.963744 -1.491240 0.000000 -0.005053 0.005674 0.000000 3 H 1.129581 1.654097 0.000000 0.078275 0.104784 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- @ 3 -75.96975915 -1.6D-03 0.00760 0.00439 0.04728 0.08588 10.4 Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94412 -0.00760 2*Stretch OH2 3 1 1.20000 0.13079 3 Bend HOH 3 1 2 101.37007 -0.00002 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94412 -0.00760 2*Stretch OH2 3 1 1.20000 -0.00000 3 Bend HOH 3 1 2 101.37007 -0.00002 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 10.4s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 10.5s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9697932813 9.23D-03 3.64D-03 9.9 2 -75.9697997639 3.54D-05 1.60D-05 10.1 Final RHF results ------------------ Total SCF energy = -75.969799763948 One-electron energy = -121.389651895045 Two-electron energy = 37.110861491092 Nuclear repulsion energy = 8.308990640006 Time for solution = 0.3s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5824 2 -1.3047 3 -0.6536 4 -0.5480 5 -0.4952 6 0.1660 7 0.2777 8 0.9342 9 1.1020 10 1.1451 11 1.1664 12 1.3639 13 1.4459 14 2.0359 15 2.0534 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304720D+00 Symmetry=a' MO Center= 3.6D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480312 1 O s 6 0.469880 1 O s 1 -0.212560 1 O s Vector 3 Occ=2.000000D+00 E=-6.536249D-01 Symmetry=a' MO Center= 6.6D-02, -4.2D-02, 0.0D+00, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.465385 1 O py 8 0.299723 1 O py 16 -0.254739 2 H s 3 -0.200426 1 O px 6 0.175590 1 O s 18 0.158691 3 H s Vector 4 Occ=2.000000D+00 E=-5.479523D-01 Symmetry=a' MO Center= -5.0D-02, 4.7D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.501182 1 O px 7 0.377928 1 O px 6 -0.265055 1 O s 18 0.202326 3 H s 19 0.189238 3 H s 4 0.152916 1 O py Vector 5 Occ=2.000000D+00 E=-4.952434D-01 Symmetry=a" MO Center= -1.0D-01, -8.9D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.644982 1 O pz 9 0.505811 1 O pz Vector 6 Occ=0.000000D+00 E= 1.659539D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.092593 3 H s 6 0.994089 1 O s 17 -0.557031 2 H s 7 0.472810 1 O px 8 0.268507 1 O py 3 0.250418 1 O px 4 0.177366 1 O py Vector 7 Occ=0.000000D+00 E= 2.777500D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.636118 2 H s 6 -0.722362 1 O s 8 0.707243 1 O py 19 -0.690747 3 H s 4 0.317449 1 O py 7 -0.234557 1 O px Vector 8 Occ=0.000000D+00 E= 9.342491D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163075 3 H s 18 1.124561 3 H s 6 0.562778 1 O s 16 -0.292488 2 H s 11 0.266274 1 O dxy 17 0.242583 2 H s 2 -0.225498 1 O s 3 -0.186412 1 O px 7 0.178848 1 O px 4 -0.171919 1 O py Vector 9 Occ=0.000000D+00 E= 1.101954D+00 Symmetry=a' MO Center= 1.5D-01, -2.3D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.207440 1 O s 16 1.059683 2 H s 2 -0.719023 1 O s 17 -0.664565 2 H s 8 0.492495 1 O py 7 -0.374900 1 O px 19 -0.368264 3 H s 15 -0.321916 1 O dzz 18 0.244240 3 H s 10 -0.205564 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.145075D+00 Symmetry=a' MO Center= -4.7D-01, -2.7D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.533711 1 O s 3 0.784998 1 O px 2 -0.709215 1 O s 7 -0.556974 1 O px 16 -0.476295 2 H s 13 -0.318184 1 O dyy 10 -0.292513 1 O dxx 15 -0.209407 1 O dzz 8 -0.179640 1 O py Vector 11 Occ=0.000000D+00 E= 1.166374D+00 Symmetry=a" MO Center= -1.2D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038870 1 O pz 5 0.959164 1 O pz Vector 12 Occ=0.000000D+00 E= 1.363888D+00 Symmetry=a' MO Center= -9.5D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.426287 1 O py 4 -1.004282 1 O py 17 0.938979 2 H s 6 -0.590160 1 O s 19 -0.469981 3 H s 2 0.240665 1 O s 16 -0.168109 2 H s Vector 13 Occ=0.000000D+00 E= 1.445873D+00 Symmetry=a' MO Center= 3.8D-01, -8.9D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.036334 1 O s 2 -1.254790 1 O s 7 1.200842 1 O px 17 -0.857600 2 H s 13 -0.604435 1 O dyy 3 -0.592651 1 O px 18 -0.424441 3 H s 10 -0.386947 1 O dxx 16 -0.332664 2 H s 19 -0.331096 3 H s Vector 14 Occ=0.000000D+00 E= 2.035875D+00 Symmetry=a' MO Center= -1.6D-01, -8.1D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988848 1 O dxx 13 -0.650765 1 O dyy 15 -0.289947 1 O dzz 6 -0.158882 1 O s Vector 15 Occ=0.000000D+00 E= 2.053407D+00 Symmetry=a" MO Center= -1.3D-01, -7.4D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.560449 1 O dyz 12 -0.750885 1 O dxz center of mass -------------- Sending upstream hdr.cmd = CMD_STDOUT x = -0.08640290 y = -0.13321429 z = 0.00000000 moments of inertia (a.u.) ------------------ 5.105586068808 -0.808610183953 0.000000000000 -0.808610183953 2.932651843823 0.000000000000 0.000000000000 0.000000000000 8.038237912631 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.919674 0.000000 0.260828 1 0 1 0 0.074012 0.000000 -1.120621 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.347033 0.000000 2.629394 2 1 1 0 0.096801 0.000000 0.719080 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.011821 0.000000 5.181366 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.538935 0.000000 0.000000 Line search: step= 1.00 grad=-6.0D-05 hess= 2.0D-05 energy= -75.969800 mode=downhill new step= 1.54 predicted energy= -75.969805 -------- Step 4 -------- Geometry "geometry" -> "h2o_c2v" -------------------------------- Sending upstream hdr.cmd = CMD_STDOUT Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.12193754 -0.08392554 0.00000000 2 H 1.0000 0.51175750 -0.79245120 0.00000000 3 H 1.0000 0.59765926 0.87637673 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.2980946266 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2530653793 -1.1101738649 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 10.8s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 10.9s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9698038138 4.94D-03 1.95D-03 10.2 2 -75.9698056823 1.94D-05 8.89D-06 10.5 Final RHF results ------------------ Total SCF energy = -75.969805682271 One-electron energy = -121.370305985057 Two-electron energy = 37.102405676196 Nuclear repulsion energy = 8.298094626590 Time for solution = 0.3s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5827 2 -1.3041 3 -0.6530 4 -0.5479 5 -0.4952 6 0.1659 7 0.2773 8 0.9343 9 1.1006 10 1.1444 11 1.1664 12 1.3633 13 1.4458 14 2.0362 15 2.0537 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304053D+00 Symmetry=a' MO Center= 3.5D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480398 1 O s 6 0.470479 1 O s 1 -0.212611 1 O s Vector 3 Occ=2.000000D+00 E=-6.529837D-01 Symmetry=a' MO Center= 6.6D-02, -4.2D-02, 0.0D+00, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.465508 1 O py 8 0.300170 1 O py 16 -0.254575 2 H s 3 -0.199374 1 O px 6 0.174300 1 O s 18 0.158838 3 H s Vector 4 Occ=2.000000D+00 E=-5.478566D-01 Symmetry=a' MO Center= -5.1D-02, 4.7D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.501380 1 O px 7 0.378081 1 O px 6 -0.265200 1 O s 18 0.202191 3 H s 19 0.189176 3 H s 4 0.152182 1 O py Vector 5 Occ=2.000000D+00 E=-4.951807D-01 Symmetry=a" MO Center= -1.0D-01, -8.8D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT Vector 6 Occ=0.000000D+00 E= 1.659101D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.091651 3 H s 6 0.993850 1 O s 17 -0.558479 2 H s 7 0.473534 1 O px 8 0.267015 1 O py 3 0.250988 1 O px 4 0.176420 1 O py Vector 7 Occ=0.000000D+00 E= 2.772772D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.630771 2 H s 6 -0.716391 1 O s 8 0.707406 1 O py 19 -0.691800 3 H s 4 0.318288 1 O py 7 -0.233398 1 O px Vector 8 Occ=0.000000D+00 E= 9.343249D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163132 3 H s 18 1.124392 3 H s 6 0.561258 1 O s 16 -0.293657 2 H s 11 0.266831 1 O dxy 17 0.245027 2 H s 2 -0.225135 1 O s 3 -0.185986 1 O px 7 0.177863 1 O px 4 -0.172105 1 O py Vector 9 Occ=0.000000D+00 E= 1.100590D+00 Symmetry=a' MO Center= 1.7D-01, -2.4D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.182682 1 O s 16 1.069117 2 H s 2 -0.705567 1 O s 17 -0.673901 2 H s 8 0.488035 1 O py 19 -0.365442 3 H s 7 -0.359315 1 O px 15 -0.317745 1 O dzz 18 0.246513 3 H s 11 -0.202553 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.144401D+00 Symmetry=a' MO Center= -4.8D-01, -2.5D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.558852 1 O s 3 0.784444 1 O px 2 -0.725315 1 O s 7 -0.564773 1 O px 16 -0.453962 2 H s 13 -0.320914 1 O dyy 10 -0.297062 1 O dxx 15 -0.216652 1 O dzz 8 -0.165578 1 O py Vector 11 Occ=0.000000D+00 E= 1.166363D+00 Symmetry=a" MO Center= -1.2D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038886 1 O pz 5 0.959143 1 O pz Vector 12 Occ=0.000000D+00 E= 1.363342D+00 Symmetry=a' MO Center= -9.8D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.427991 1 O py 4 -1.004253 1 O py 17 0.934087 2 H s 6 -0.586524 1 O s 19 -0.470151 3 H s 2 0.238616 1 O s 16 -0.162524 2 H s Vector 13 Occ=0.000000D+00 E= 1.445797D+00 Symmetry=a' MO Center= 3.8D-01, -8.7D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.028880 1 O s 2 -1.252572 1 O s 7 1.200735 1 O px 17 -0.851653 2 H s 13 -0.604096 1 O dyy 3 -0.593661 1 O px 18 -0.424436 3 H s 10 -0.386691 1 O dxx 16 -0.333608 2 H s 19 -0.332052 3 H s Vector 14 Occ=0.000000D+00 E= 2.036160D+00 Symmetry=a' MO Center= -1.6D-01, -8.0D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988852 1 O dxx 13 -0.650958 1 O dyy 15 -0.289839 1 O dzz 6 -0.158301 1 O s Vector 15 Occ=0.000000D+00 E= 2.053742D+00 Symmetry=a" MO Center= -1.3D-01, -7.3D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.562165 1 O dyz 12 -0.747319 1 O dxz center of mass -------------- x = -0.08732571 y = -0.13197234 z = 0.00000000 moments of inertia (a.u.) ------------------ 5.112901163476 -0.802488827043 0.000000000000 -0.802488827043 2.940060345288 0.000000000000 0.000000000000 0.000000000000 8.052961508764 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 Sending upstream hdr.cmd = CMD_STDOUT 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 1 1 0 0 0.920082 0.000000 0.253065 1 0 1 0 0.072937 0.000000 -1.110174 1 0 0 1 0.000000 0.000000 0.000000 Sending upstream hdr.cmd = CMD_STDOUT 2 2 0 0 -4.348103 0.000000 2.635597 2 1 1 0 0.095982 0.000000 0.714574 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.011043 0.000000 5.186482 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.540691 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.230429 -0.158596 0.000000 -0.078282 -0.104688 0.000000 2 H 0.967081 -1.497516 0.000000 -0.000094 0.000040 0.000000 3 H 1.129412 1.656112 0.000000 0.078375 0.104648 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 4 -75.96980568 -4.7D-05 0.00009 0.00006 0.00303 0.00628 11.3 ok ok Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient Sending upstream hdr.cmd = CMD_STDOUT 1 Stretch OH1 2 1 0.95057 -0.00009 Sending upstream hdr.cmd = CMD_STDOUT 2*Stretch OH2 3 1 1.20000 0.13074 3 Bend HOH 3 1 2 101.34518 0.00004 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95057 -0.00009 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 101.34518 0.00004 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 11.3s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 11.3s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9698056979 3.26D-04 1.29D-04 10.7 2 -75.9698057067 7.75D-06 2.98D-06 10.8 Final RHF results ------------------ Total SCF energy = -75.969805706658 One-electron energy = -121.369573623747 Two-electron energy = 37.102030107263 Nuclear repulsion energy = 8.297737809826 Time for solution = 0.2s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5827 2 -1.3040 3 -0.6529 4 -0.5479 5 -0.4952 6 0.1659 7 0.2773 8 0.9343 9 1.1006 10 1.1444 11 1.1664 12 1.3633 13 1.4459 14 2.0361 15 2.0538 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304045D+00 Symmetry=a' Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480398 1 O s 6 0.470500 1 O s 1 -0.212612 1 O s Vector 3 Occ=2.000000D+00 E=-6.529342D-01 Symmetry=a' Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT 16 -0.254583 2 H s 3 -0.199473 1 O px Sending upstream hdr.cmd = CMD_STDOUT 6 0.174319 1 O s 18 0.158785 3 H s Vector 4 Occ=2.000000D+00 E=-5.478897D-01 Symmetry=a' MO Center= -5.1D-02, 4.8D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.501301 1 O px 7 0.378016 1 O px 6 -0.265203 1 O s 18 0.202237 3 H s 19 0.189215 3 H s 4 0.152293 1 O py Vector 5 Occ=2.000000D+00 E=-4.951894D-01 Symmetry=a" MO Center= -1.0D-01, -8.8D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.645019 1 O pz 9 0.505774 1 O pz Vector 6 Occ=0.000000D+00 E= 1.659083D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.091606 3 H s 6 0.993771 1 O s 17 -0.558485 2 H s 7 0.473620 1 O px 8 0.266991 1 O py 3 0.251029 1 O px 4 0.176410 1 O py Vector 7 Occ=0.000000D+00 E= 2.772512D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.630608 2 H s 6 -0.716190 1 O s 8 0.707327 1 O py 19 -0.691865 3 H s 4 0.318313 1 O py 7 -0.233444 1 O px Vector 8 Occ=0.000000D+00 E= 9.342926D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163107 3 H s 18 1.124243 3 H s 6 0.561157 1 O s 16 -0.294181 2 H s 11 0.266898 1 O dxy 17 0.245453 2 H s 2 -0.225050 1 O s 3 -0.185928 1 O px 7 0.177990 1 O px 4 -0.172036 1 O py Vector 9 Occ=0.000000D+00 E= 1.100558D+00 Symmetry=a' MO Center= 1.7D-01, -2.4D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.183368 1 O s 16 1.069018 2 H s 2 -0.705792 1 O s 17 -0.674249 2 H s 8 0.487731 1 O py 19 -0.365792 3 H s 7 -0.358776 1 O px 15 -0.317837 1 O dzz 18 0.246932 3 H s 11 -0.202449 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.144365D+00 Symmetry=a' MO Center= -4.8D-01, -2.5D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.559017 1 O s 3 0.784460 1 O px 2 -0.725497 1 O s 7 -0.564863 1 O px 10 -0.297162 1 O dxx 15 -0.216732 1 O dzz 8 -0.165370 1 O py Sending upstream hdr.cmd = CMD_STDOUT Vector 11 Occ=0.000000D+00 E= 1.166354D+00 Symmetry=a" MO Center= -1.2D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038888 1 O pz 5 0.959140 1 O pz Vector 12 Occ=0.000000D+00 E= 1.363292D+00 Symmetry=a' MO Center= -9.9D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.427916 1 O py 4 -1.004226 1 O py 17 0.934120 2 H s 6 -0.586939 1 O s 19 -0.470133 3 H s 2 0.238788 1 O s 16 -0.162423 2 H s Vector 13 Occ=0.000000D+00 E= 1.445903D+00 Symmetry=a' MO Center= 3.8D-01, -8.7D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.028222 1 O s 2 -1.252264 1 O s 7 1.200976 1 O px 17 -0.851144 2 H s 13 -0.604042 1 O dyy 3 -0.593656 1 O px 18 -0.424700 3 H s 10 -0.386758 1 O dxx 16 -0.333980 2 H s 19 -0.331983 3 H s Vector 14 Occ=0.000000D+00 E= 2.036116D+00 Symmetry=a' MO Center= -1.6D-01, -8.0D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988730 1 O dxx 13 -0.651333 1 O dyy 15 -0.289383 1 O dzz 6 -0.158166 1 O s Vector 15 Occ=0.000000D+00 E= 2.053760D+00 Symmetry=a" MO Center= -1.3D-01, -7.3D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.561857 1 O dyz 12 -0.747962 1 O dxz center of mass -------------- x = -0.08753488 y = -0.13194684 z = 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) ------------------ 5.111557765379 -0.802377282561 0.000000000000 -0.802377282561 2.941772960283 0.000000000000 0.000000000000 0.000000000000 8.053330725662 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.920256 0.000000 0.251306 1 0 1 0 0.072881 0.000000 -1.109959 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.347879 0.000000 2.637038 2 1 1 0 0.095883 0.000000 0.714659 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.011969 0.000000 5.185105 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.540762 0.000000 0.000000 Line search: step= 1.00 grad=-4.7D-08 hess= 2.3D-08 energy= -75.969806 mode=accept new step= 1.00 predicted energy= -75.969806 -------- Step 5 -------- Geometry "geometry" -> "h2o_c2v" -------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.12207056 -0.08390932 0.00000000 2 H 1.0000 0.51184621 -0.79235072 0.00000000 3 H 1.0000 0.59770357 0.87626004 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.2977378098 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2513058021 -1.1099593751 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 The SCF is already converged Total SCF energy = -75.969805706658 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.230680 -0.158566 0.000000 -0.078411 -0.104604 0.000000 2 H 0.967249 -1.497326 0.000000 -0.000002 -0.000000 0.000000 3 H 1.129496 1.655891 0.000000 0.078413 0.104604 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 5 -75.96980571 -2.4D-08 0.00000 0.00000 0.00014 0.00025 11.7 ok ok ok ok Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 0.13073 3 Bend HOH 3 1 2 101.32125 0.00000 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 -0.00000 3 Bend HOH 3 1 2 101.32125 0.00000 ---------------------- Optimization converged ---------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- @ 5 -75.96980571 -2.4D-08 0.00000 0.00000 0.00014 0.00025 11.7 ok ok ok ok Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 0.13073 3 Bend HOH 3 1 2 101.32125 0.00000 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 -0.00000 3 Bend HOH 3 1 2 101.32125 0.00000 Geometry "geometry" -> "h2o_c2v" -------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.12207056 -0.08390932 0.00000000 2 H 1.0000 0.51184621 -0.79235072 0.00000000 3 H 1.0000 0.59770357 0.87626004 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.2977378098 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2513058021 -1.1099593751 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 Final and change from initial internal coordinates -------------------------------------------------- Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Change ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.24935 3 Bend HOH 3 1 2 101.32125 -6.67875 Sending upstream hdr.cmd = CMD_STDOUT ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 H | 1 O | 1.79647 | 0.95065 ------------------------------------------------------------------------------ number of included internuclear distances: 1 ============================================================================== Task times cpu: 5.9s wall: 6.3s Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- Sending upstream hdr.cmd = CMD_STDOUT Deleted DRIVER restart files NWChem Geometry Optimization ---------------------------- maximum gradient threshold (gmax) = 0.000450 rms gradient threshold (grms) = 0.000300 maximum cartesian step threshold (xmax) = 0.001800 rms cartesian step threshold (xrms) = 0.001200 fixed trust radius (trust) = 0.300000 maximum step size to saddle (sadstp) = 0.100000 energy precision (eprec) = 1.0D-07 maximum number of steps (nptopt) = 40 initial hessian option (inhess) = 0 line search option (linopt) = 1 hessian update option (modupd) = 1 saddle point option (modsad) = 0 initial eigen-mode to follow (moddir) = 0 initial variable to follow (vardir) = 0 follow first negative mode (firstneg) = T apply conjugacy (opcg) = F source of zmatrix = user ------------------- Energy Minimization ------------------- Names of Z-matrix variables 1 OH1 2 OH2 3 HOH Variables with the same non-blank name are constrained to be equal Number of frozen variables = 1 Frozen variables = 2 Using diagonal initial Hessian Scaling for Hessian diagonals: bonds = 1.00 angles = 0.25 torsions = 0.10 -------- Step 0 -------- Geometry "geometry" -> "h2o_cs" ------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.14106846 -0.00000000 0.00000000 2 H 1.0000 0.56427384 -0.97082039 0.00000000 3 H1 1.0000 0.56427384 0.97082039 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 H1 1.007825 Effective nuclear repulsion energy (a.u.) 7.3282379250 Nuclear Dipole moment (a.u.) ---------------------------- ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Symmetry information Sending upstream hdr.cmd = CMD_STDOUT -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s H1 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 11.7s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 11.7s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9114937246 4.50D-01 1.85D-01 11.0 2 -75.9255746442 1.85D-01 9.86D-02 11.1 3 -75.9278671602 1.19D-02 4.57D-03 11.3 4 -75.9278877726 1.17D-04 6.55D-05 11.5 5 -75.9278877753 4.29D-06 1.97D-06 11.7 Final RHF results ------------------ Total SCF energy = -75.927887775281 One-electron energy = -119.592298812836 Two-electron energy = 36.336173112597 Nuclear repulsion energy = 7.328237924958 Time for solution = 0.7s Symmetry analysis of molecular orbitals - final ----------------------------------------------- 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Sending upstream hdr.cmd = CMD_STDOUT Final eigenvalues ----------------- 1 1 -20.6012 2 -1.2501 3 -0.5989 4 -0.5216 5 -0.4882 6 0.1453 7 0.2280 8 0.9418 9 0.9530 10 1.1327 11 1.1677 12 1.3621 13 1.4022 14 2.0765 15 2.0800 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.250097D+00 Symmetry=a' MO Center= -3.4D-02, -2.7D-07, 0.0D+00, r^2= 5.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.511379 1 O s 2 0.490735 1 O s 1 -0.217990 1 O s Vector 3 Occ=2.000000D+00 E=-5.988839D-01 Symmetry=a' MO Center= 1.3D-01, 5.7D-07, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.470700 1 O py 8 0.335312 1 O py 16 -0.206756 2 H s 18 0.206756 3 H s 17 -0.171527 2 H s 19 0.171527 3 H s Vector 4 Occ=2.000000D+00 E=-5.215883D-01 Symmetry=a' MO Center= -6.1D-02, 8.5D-07, 0.0D+00, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.530124 1 O px 7 0.405236 1 O px 6 -0.258526 1 O s Vector 5 Occ=2.000000D+00 E=-4.882243D-01 Symmetry=a" MO Center= -1.3D-01, 5.0D-08, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.649345 1 O pz 9 0.501330 1 O pz Vector 6 Occ=0.000000D+00 E= 1.452812D-01 Symmetry=a' MO Center= 5.6D-01, -6.1D-06, 0.0D+00, r^2= 2.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.922166 1 O s 17 -0.822333 2 H s 19 -0.822328 3 H s 7 0.498957 1 O px 3 0.300246 1 O px Vector 7 Occ=0.000000D+00 E= 2.280095D-01 Symmetry=a' MO Center= 5.4D-01, 5.0D-06, 0.0D+00, r^2= 2.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 0.973820 2 H s 19 -0.973824 3 H s 8 0.721685 1 O py 4 0.392560 1 O py Vector 8 Occ=0.000000D+00 E= 9.418223D-01 Symmetry=a' MO Center= 6.0D-01, -4.9D-05, 0.0D+00, r^2= 1.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 0.818493 2 H s 18 0.818449 3 H s 6 0.776887 1 O s 17 -0.770763 2 H s 19 -0.770717 3 H s 2 -0.344766 1 O s 3 -0.306889 1 O px 15 -0.186019 1 O dzz Sending upstream hdr.cmd = CMD_STDOUT MO Center= 4.5D-01, 4.9D-05, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function Sending upstream hdr.cmd = CMD_STDOUT 17 -0.886054 2 H s 19 0.886094 3 H s Sending upstream hdr.cmd = CMD_STDOUT 11 -0.339140 1 O dxy 4 0.268009 1 O py Sending upstream hdr.cmd = CMD_STDOUT MO Center= -6.3D-01, -3.5D-07, 0.0D+00, r^2= 1.1D+00 Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.112032 1 O s 2 -1.063369 1 O s 3 0.646814 1 O px 7 -0.566727 1 O px 10 -0.380566 1 O dxx 13 -0.372380 1 O dyy 15 -0.364923 1 O dzz 17 -0.259808 2 H s 19 -0.259807 3 H s Vector 11 Occ=0.000000D+00 E= 1.167741D+00 Symmetry=a" MO Center= -1.4D-01, -1.0D-08, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.041170 1 O pz 5 0.956241 1 O pz Vector 12 Occ=0.000000D+00 E= 1.362147D+00 Symmetry=a' MO Center= -2.7D-01, -6.6D-07, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.420889 1 O py 4 -0.974140 1 O py 17 0.428749 2 H s 19 -0.428747 3 H s 11 -0.247934 1 O dxy 16 0.151423 2 H s 18 -0.151421 3 H s Vector 13 Occ=0.000000D+00 E= 1.402187D+00 Symmetry=a' MO Center= 3.8D-01, 1.1D-06, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.478930 1 O s 2 -1.111258 1 O s 7 1.111847 1 O px 3 -0.689734 1 O px 13 -0.560196 1 O dyy 17 -0.430085 2 H s 19 -0.430087 3 H s 10 -0.335463 1 O dxx 16 -0.329647 2 H s 18 -0.329648 3 H s Vector 14 Occ=0.000000D+00 E= 2.076462D+00 Symmetry=a' MO Center= -1.8D-01, -2.0D-08, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 1.009239 1 O dxx 13 -0.555854 1 O dyy 15 -0.409762 1 O dzz Vector 15 Occ=0.000000D+00 E= 2.079961D+00 Symmetry=a" MO Center= -1.4D-01, -3.3D-08, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.732051 1 O dyz center of mass -------------- x = -0.11740896 y = -0.00000000 z = 0.00000000 moments of inertia (a.u.) ------------------ 6.784073987188 0.000000000000 0.000000000000 0.000000000000 3.180293791169 0.000000000000 0.000000000000 0.000000000000 9.964367778357 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.77 2.00 0.92 2.70 0.99 2.12 0.05 2 H 1 0.61 0.37 0.25 3 H 1 0.61 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.892668 0.000000 0.000000 1 0 1 0 -0.000005 0.000000 0.000000 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.549773 0.000000 2.842612 2 1 1 0 -0.000003 0.000000 -0.000000 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -2.543325 0.000000 6.731401 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.718032 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.266581 -0.000000 0.000000 -0.135501 0.000000 0.000000 2 H 1.066323 -1.834585 0.000000 0.067751 -0.113167 0.000000 3 H1 1.066323 1.834585 0.000000 0.067751 0.113166 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.03 | ---------------------------------------- | WALL | 0.00 | 0.04 | ---------------------------------------- @ Step Energy Delta E Gmax Grms Xrms Xmax Walltime @ ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 0 -75.92788778 0.0D+00 0.13138 0.07628 0.00000 0.00000 12.6 Internal coordinate gradient before constraints Z-matrix (user) Sending upstream hdr.cmd = CMD_STDOUT Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Sending upstream hdr.cmd = CMD_STDOUT Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 1.20000 0.13138 2*Stretch OH2 3 1 1.20000 0.13138 3 Bend HOH 3 1 2 108.00000 0.01405 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 1.20000 0.13138 2*Stretch OH2 3 1 1.20000 -0.00000 3 Bend HOH 3 1 2 108.00000 0.01405 Restricting large step in mode 1 eval= 2.3D-01 step=-5.8D-01 new=-3.0D-01 Restricting large step in mode 3 eval= 4.4D-02 step=-3.2D-01 new=-3.0D-01 Restricting overall step due to large component. alpha= 1.00 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s H1 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 12.6s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 12.6s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9563152251 2.79D-01 1.06D-01 11.9 2 -75.9617717127 9.96D-02 5.08D-02 12.0 3 -75.9625364996 6.82D-03 2.66D-03 12.1 4 -75.9625416833 2.77D-05 1.40D-05 12.4 Final RHF results ------------------ Total SCF energy = -75.962541683317 One-electron energy = -120.645755045499 Two-electron energy = 36.779488761539 Nuclear repulsion energy = 7.903724600642 Time for solution = 0.5s Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 2 -1.2825 Sending upstream hdr.cmd = CMD_STDOUT 4 -0.5474 5 -0.4943 6 0.1631 Sending upstream hdr.cmd = CMD_STDOUT 7 0.2560 8 0.9334 9 1.0391 10 1.1310 11 1.1650 12 1.3466 13 1.4545 14 2.0427 15 2.0667 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.282468D+00 Symmetry=a' Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.490473 1 O s 2 0.483812 1 O s 1 -0.214597 1 O s Sending upstream hdr.cmd = CMD_STDOUT Vector 3 Occ=2.000000D+00 E=-6.255617D-01 Symmetry=a' MO Center= 7.6D-02, -6.2D-02, 0.0D+00, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.467984 1 O py 8 0.315438 1 O py 16 -0.246684 2 H s 3 -0.164935 1 O px 17 -0.163486 2 H s 18 0.162871 3 H s Vector 4 Occ=2.000000D+00 E=-5.474474D-01 Symmetry=a' MO Center= -7.0D-02, 5.9D-02, 0.0D+00, r^2= 8.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.502891 1 O px 7 0.378315 1 O px 6 -0.270062 1 O s 18 0.198693 3 H s 19 0.187609 3 H s 2 -0.152031 1 O s Vector 5 Occ=2.000000D+00 E=-4.942733D-01 Symmetry=a" MO Center= -1.4D-01, -6.0D-02, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.647031 1 O pz 9 0.503689 1 O pz Vector 6 Occ=0.000000D+00 E= 1.631210D-01 Symmetry=a' MO Center= 6.1D-01, 4.2D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.038692 3 H s 6 0.977095 1 O s 17 -0.626167 2 H s 7 0.505738 1 O px 3 0.275734 1 O px 8 0.202842 1 O py Vector 7 Occ=0.000000D+00 E= 2.560377D-01 Symmetry=a' MO Center= 6.2D-01, -5.3D-01, 0.0D+00, r^2= 2.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.414480 2 H s 19 -0.755100 3 H s 8 0.703300 1 O py 6 -0.474111 1 O s 4 0.350408 1 O py 7 -0.186933 1 O px Vector 8 Occ=0.000000D+00 E= 9.333521D-01 Symmetry=a' MO Center= 4.6D-01, 6.8D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.151533 3 H s 18 1.091719 3 H s 6 0.463055 1 O s 16 -0.414331 2 H s 17 0.408587 2 H s 11 0.294879 1 O dxy 2 -0.188981 1 O s 4 -0.177018 1 O py 3 -0.153040 1 O px Vector 9 Occ=0.000000D+00 E= 1.039063D+00 Symmetry=a' MO Center= 4.7D-01, -4.9D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 1.101203 2 H s 17 -0.889372 2 H s 6 0.870281 1 O s 2 -0.475738 1 O s 18 0.367592 3 H s 19 -0.364360 3 H s 3 -0.303039 1 O px 8 0.236728 1 O py 15 -0.237577 1 O dzz 11 -0.178962 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.131016D+00 Symmetry=a' MO Center= -6.5D-01, -5.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.972767 1 O s 2 -0.985073 1 O s 3 0.699770 1 O px 7 -0.598425 1 O px 10 -0.365837 1 O dxx 13 -0.357547 1 O dyy 15 -0.333305 1 O dzz 19 -0.202717 3 H s 17 -0.178558 2 H s Vector 11 Occ=0.000000D+00 E= 1.165040D+00 Symmetry=a" MO Center= -1.5D-01, -5.7D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039901 1 O pz 5 0.957804 1 O pz Vector 12 Occ=0.000000D+00 E= 1.346638D+00 Symmetry=a' MO Center= -2.0D-01, -1.4D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.433496 1 O py 4 -0.996717 1 O py 17 0.737986 2 H s 19 -0.473081 3 H s 6 -0.379321 1 O s Vector 13 Occ=0.000000D+00 E= 1.454526D+00 Symmetry=a' MO Center= 3.3D-01, -3.9D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.738585 1 O s 7 1.213057 1 O px 2 -1.159917 1 O s 17 -0.636732 2 H s 3 -0.630430 1 O px 13 -0.582962 1 O dyy 18 -0.439555 3 H s 10 -0.386863 1 O dxx 16 -0.383828 2 H s 19 -0.347660 3 H s Vector 14 Occ=0.000000D+00 E= 2.042679D+00 Symmetry=a' MO Center= -1.9D-01, -5.5D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.974964 1 O dxx 13 -0.691817 1 O dyy 15 -0.243060 1 O dzz Vector 15 Occ=0.000000D+00 E= 2.066750D+00 Symmetry=a" MO Center= -1.6D-01, -4.9D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.603796 1 O dyz 12 -0.653569 1 O dxz center of mass -------------- x = -0.13896093 y = -0.09028759 z = 0.00000000 moments of inertia (a.u.) Sending upstream hdr.cmd = CMD_STDOUT ------------------ 5.282475541849 -0.530741740759 0.000000000000 -0.530741740759 3.371668710375 0.000000000000 0.000000000000 0.000000000000 8.654144252224 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT 1 O 8 8.80 2.00 0.92 2.75 0.98 2.09 0.06 2 H 1 0.58 0.43 0.15 3 H 1 0.63 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.947182 0.000000 -0.181299 1 0 1 0 0.043204 0.000000 -0.759515 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.364742 0.000000 3.017276 2 1 1 0 0.042806 0.000000 0.501060 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.069206 0.000000 5.294481 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.609124 0.000000 0.000000 Line search: step= 1.00 grad=-4.4D-02 hess= 9.0D-03 energy= -75.962542 mode=downhill new step= 2.43 predicted energy= -75.980915 -------- Step 1 -------- Geometry "geometry" -> "h2o_cs" Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z Sending upstream hdr.cmd = CMD_STDOUT ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.14895183 -0.14356387 0.00000000 2 H 1.0000 0.50678580 -0.62599141 0.00000000 3 H1 1.0000 0.62964526 0.76955528 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 H1 1.007825 Effective nuclear repulsion energy (a.u.) 9.1058179094 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.1042818284 -1.8990746464 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s H1 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 13.3s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 13.3s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9105778390 5.68D-01 2.21D-01 12.5 2 -75.9308017944 1.90D-01 9.41D-02 12.6 3 -75.9334884924 1.18D-02 5.82D-03 12.8 4 -75.9335053009 6.84D-05 3.09D-05 13.0 Final RHF results ------------------ Total SCF energy = -75.933505300884 One-electron energy = -122.681544312010 Two-electron energy = 37.642221101684 Nuclear repulsion energy = 9.105817909442 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a" 11 a' 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5754 2 -1.3672 3 -0.6753 4 -0.5736 5 -0.5069 6 0.1605 7 0.3009 8 0.9040 9 1.1117 10 1.1618 11 1.2397 12 1.4384 13 1.5049 14 1.9957 15 2.0329 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.367208D+00 Symmetry=a' MO Center= 7.0D-02, -2.2D-01, 0.0D+00, r^2= 4.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.472251 1 O s 6 0.418979 1 O s 1 -0.208278 1 O s 16 0.192100 2 H s Vector 3 Occ=2.000000D+00 E=-6.753233D-01 Symmetry=a' MO Center= -8.8D-02, -6.9D-02, 0.0D+00, r^2= 6.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 -0.400029 1 O py 3 0.365221 1 O px 6 -0.307657 1 O s 16 0.267366 2 H s 8 -0.236287 1 O py 7 0.196183 1 O px Vector 4 Occ=2.000000D+00 E=-5.736438D-01 Symmetry=a' MO Center= 6.8D-03, 4.2D-02, 0.0D+00, r^2= 9.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.392405 1 O px 4 0.306113 1 O py 7 0.299009 1 O px 18 0.242129 3 H s 8 0.226690 1 O py 6 -0.224835 1 O s 19 0.222444 3 H s Vector 5 Occ=2.000000D+00 E=-5.069295D-01 Symmetry=a" MO Center= -1.3D-01, -1.5D-01, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.646387 1 O pz 9 0.503936 1 O pz Vector 6 Occ=0.000000D+00 E= 1.605254D-01 Symmetry=a' MO Center= 6.5D-01, 5.1D-01, 0.0D+00, r^2= 1.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.095422 3 H s 6 -0.964047 1 O s 17 0.489435 2 H s 7 -0.453409 1 O px 8 -0.351045 1 O py 4 -0.234617 1 O py 3 -0.226510 1 O px Vector 7 Occ=0.000000D+00 E= 3.009376D-01 Symmetry=a' MO Center= 7.7D-01, -7.0D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 2.006059 2 H s 6 -1.080699 1 O s 19 -0.754044 3 H s 8 0.641316 1 O py 7 -0.341832 1 O px 4 0.269744 1 O py Vector 8 Occ=0.000000D+00 E= 9.039655D-01 Symmetry=a' MO Center= 4.6D-01, 6.5D-01, 0.0D+00, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.167085 3 H s 18 1.063025 3 H s 6 0.672939 1 O s 16 -0.398346 2 H s 7 0.363699 1 O px 11 0.230317 1 O dxy 2 -0.214601 1 O s 3 -0.212790 1 O px 17 0.189757 2 H s 8 -0.188041 1 O py Vector 9 Occ=0.000000D+00 E= 1.111748D+00 Symmetry=a' MO Center= -5.7D-01, 7.3D-02, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.804388 1 O s 2 -0.993607 1 O s 7 -0.732153 1 O px 3 0.536024 1 O px 19 -0.403378 3 H s 16 0.386336 2 H s 15 -0.374747 1 O dzz 10 -0.353094 1 O dxx 8 0.345491 1 O py 13 -0.325413 1 O dyy Vector 10 Occ=0.000000D+00 E= 1.161846D+00 Symmetry=a" MO Center= -1.5D-01, -1.4D-01, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039712 1 O pz 5 0.958117 1 O pz Vector 11 Occ=0.000000D+00 E= 1.239694D+00 Symmetry=a' MO Center= -1.0D-01, -3.3D-01, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.093636 1 O py 16 0.791898 2 H s 3 -0.556100 1 O px 4 -0.542588 1 O py 19 -0.505863 3 H s 6 -0.490911 1 O s 17 0.211466 2 H s 11 -0.201810 1 O dxy 18 0.197870 3 H s Vector 12 Occ=0.000000D+00 E= 1.438380D+00 Symmetry=a' MO Center= 2.3D-01, -5.1D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.362848 1 O s 17 -1.359656 2 H s 8 -0.963914 1 O py 4 0.802652 1 O py 2 -0.659661 1 O s 16 0.636698 2 H s Sending upstream hdr.cmd = CMD_STDOUT 19 0.332318 3 H s 15 -0.302924 1 O dzz Vector 13 Occ=0.000000D+00 E= 1.504872D+00 Symmetry=a' MO Center= 2.3D-01, -7.2D-02, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.157878 1 O s 7 1.336597 1 O px 2 -1.176542 1 O s 17 -0.991185 2 H s 18 -0.577258 3 H s 16 -0.544472 2 H s 13 -0.519572 1 O dyy 10 -0.498096 1 O dxx 3 -0.430781 1 O px 4 -0.218114 1 O py Vector 14 Occ=0.000000D+00 E= 1.995712D+00 Symmetry=a' MO Center= -1.7D-01, -1.4D-01, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 -0.863421 1 O dyy 10 0.812082 1 O dxx 11 0.427071 1 O dxy Vector 15 Occ=0.000000D+00 E= 2.032879D+00 Symmetry=a" MO Center= -1.7D-01, -1.3D-01, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.403698 1 O dxz 14 -1.012781 1 O dyz center of mass -------------- x = -0.12980550 y = -0.22575322 z = 0.00000000 moments of inertia (a.u.) ------------------ 3.801067232920 -1.295779510249 0.000000000000 -1.295779510249 3.314985311645 0.000000000000 0.000000000000 0.000000000000 7.116052544565 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.78 2.00 0.92 2.86 0.94 2.00 0.07 2 H 1 0.57 0.54 0.03 3 H 1 0.65 0.38 0.27 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.981336 0.000000 -0.104282 1 0 1 0 0.135917 0.000000 -1.899075 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.111853 0.000000 2.966762 2 1 1 0 0.116975 0.000000 1.208363 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.629046 0.000000 4.103029 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.431132 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.281478 -0.271296 0.000000 0.089009 -0.259840 0.000000 2 H 0.957686 -1.182952 0.000000 -0.186925 0.184932 0.000000 3 H1 1.189857 1.454249 0.000000 0.097916 0.074908 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.03 | ---------------------------------------- | WALL | 0.00 | 0.04 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 1 -75.93350530 -5.6D-03 0.26016 0.15127 0.27766 0.66571 14.0 Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.81408 -0.26016 2*Stretch OH2 3 1 1.20000 0.12053 3 Bend HOH 3 1 2 85.88848 -0.03109 Internal coordinate gradient after constraints Z-matrix (user) -------- Sending upstream hdr.cmd = CMD_STDOUT Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- Sending upstream hdr.cmd = CMD_STDOUT 1 Stretch OH1 2 1 0.81408 -0.26016 2*Stretch OH2 3 1 1.20000 -0.00000 3 Bend HOH 3 1 2 85.88848 -0.03109 Restricting large step in mode 1 eval= 4.2D-02 step= 4.9D-01 new= 3.0D-01 Restricting large step in mode 2 eval= 5.2D-01 step= 5.0D-01 new= 3.0D-01 Restricting overall step due to large component. alpha= 0.96 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s H1 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 14.0s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a" 11 a' 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 14.1s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9578610162 3.92D-01 1.62D-01 13.2 2 -75.9673445868 1.29D-01 6.28D-02 13.3 3 -75.9685803161 8.66D-03 5.51D-03 13.5 4 -75.9685925472 7.02D-05 3.50D-05 13.7 Final RHF results ------------------ Total SCF energy = -75.968592547170 One-electron energy = -121.283802581246 Two-electron energy = 37.050445003201 Nuclear repulsion energy = 8.264765030875 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5877 2 -1.3057 3 -0.6431 4 -0.5571 5 -0.4978 6 0.1651 7 0.2731 8 0.9243 9 1.0998 10 1.1384 11 1.1641 12 1.3533 13 1.4746 14 2.0249 15 2.0563 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.305738D+00 Symmetry=a' Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.3D-02, -1.4D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480028 1 O s 6 0.472148 1 O s 1 -0.212449 1 O s Vector 3 Occ=2.000000D+00 E=-6.431196D-01 Symmetry=a' MO Center= 2.9D-02, -6.7D-02, 0.0D+00, r^2= 8.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.454131 1 O py 8 0.294030 1 O py 16 -0.258341 2 H s 3 -0.237514 1 O px 6 0.190301 1 O s 17 -0.150269 2 H s Vector 4 Occ=2.000000D+00 E=-5.570511D-01 Symmetry=a' MO Center= -5.1D-02, 6.4D-02, 0.0D+00, r^2= 8.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.475070 1 O px 7 0.356946 1 O px 6 -0.261235 1 O s 18 0.216675 3 H s 19 0.201473 3 H s 4 0.192318 1 O py 2 -0.150345 1 O s Vector 5 Occ=2.000000D+00 E=-4.978272D-01 Symmetry=a" MO Center= -1.4D-01, -8.8D-02, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.646130 1 O pz 9 0.504545 1 O pz Vector 6 Occ=0.000000D+00 E= 1.650660D-01 Symmetry=a' MO Center= 6.3D-01, 5.0D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.083343 3 H s 6 -0.973486 1 O s 17 0.550773 2 H s 7 -0.491177 1 O px 8 -0.268738 1 O py 3 -0.258597 1 O px 4 -0.178862 1 O py Vector 7 Occ=0.000000D+00 E= 2.730503D-01 Symmetry=a' MO Center= 6.7D-01, -6.5D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.618692 2 H s 19 -0.706687 3 H s 6 -0.695102 1 O s 8 0.685434 1 O py 4 0.320346 1 O py 7 -0.251553 1 O px Vector 8 Occ=0.000000D+00 E= 9.242903D-01 Symmetry=a' MO Center= 4.6D-01, 6.8D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.159833 3 H s 18 1.086393 3 H s 6 0.535901 1 O s 16 -0.403070 2 H s 17 0.339906 2 H s 11 0.276843 1 O dxy 7 0.208470 1 O px 2 -0.204987 1 O s 3 -0.172139 1 O px 4 -0.151313 1 O py Vector 9 Occ=0.000000D+00 E= 1.099848D+00 Symmetry=a' MO Center= 1.6D-01, -1.7D-01, 0.0D+00, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.484842 1 O s 16 0.987566 2 H s 2 -0.832947 1 O s 17 -0.710057 2 H s 19 -0.448570 3 H s 8 0.428175 1 O py 15 -0.361269 1 O dzz 18 0.319574 3 H s 7 -0.308943 1 O px 10 -0.221066 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.138358D+00 Symmetry=a' MO Center= -4.6D-01, -2.7D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.449622 1 O s 3 0.792593 1 O px 2 -0.677790 1 O s 7 -0.546682 1 O px 16 -0.493981 2 H s 13 -0.302495 1 O dyy 10 -0.298219 1 O dxx 15 -0.195228 1 O dzz 8 -0.185837 1 O py Vector 11 Occ=0.000000D+00 E= 1.164139D+00 Symmetry=a" MO Center= -1.5D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039435 1 O pz 5 0.958398 1 O pz Vector 12 Occ=0.000000D+00 E= 1.353339D+00 Symmetry=a' MO Center= -1.1D-01, -2.6D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.399036 1 O py 4 -0.997672 1 O py 17 0.950056 2 H s 6 -0.649210 1 O s 19 -0.475399 3 H s 2 0.266473 1 O s 16 -0.165406 2 H s Vector 13 Occ=0.000000D+00 E= 1.474559D+00 Symmetry=a' MO Center= 3.1D-01, -5.8D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.898876 1 O s 7 1.261231 1 O px 2 -1.186124 1 O s 17 -0.768237 2 H s 3 -0.586509 1 O px 13 -0.580103 1 O dyy 18 -0.487516 3 H s 10 -0.417044 1 O dxx 16 -0.414339 2 H s 19 -0.299744 3 H s Vector 14 Occ=0.000000D+00 E= 2.024942D+00 Symmetry=a' MO Center= -1.9D-01, -8.2D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.943316 1 O dxx 13 -0.750422 1 O dyy 11 0.173253 1 O dxy 15 -0.161338 1 O dzz Vector 15 Occ=0.000000D+00 E= 2.056270D+00 Symmetry=a" MO Center= -1.6D-01, -7.2D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.430678 1 O dyz 12 -0.975453 1 O dxz center of mass -------------- x = -0.13725841 y = -0.13300310 z = 0.00000000 moments of inertia (a.u.) ------------------ 4.705076785710 -0.808286994896 0.000000000000 -0.808286994896 3.363932097462 0.000000000000 0.000000000000 0.000000000000 8.069008883171 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.80 2.00 0.92 2.78 0.97 2.07 0.06 2 H 1 0.56 0.46 0.10 3 H 1 0.63 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 1 1 0 0 0.961859 0.000000 -0.166977 1 0 1 0 0.066368 0.000000 -1.118845 Sending upstream hdr.cmd = CMD_STDOUT 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.281252 0.000000 3.010583 2 1 1 0 0.076820 0.000000 0.762884 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.268685 0.000000 4.783600 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.549358 0.000000 0.000000 Line search: step= 0.96 grad=-8.5D-02 hess= 5.0D-02 energy= -75.968593 mode=downhill new step= 0.85 predicted energy= -75.969276 -------- Step 2 -------- Geometry "geometry" -> "h2o_cs" ------------------------------- No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- Sending upstream hdr.cmd = CMD_STDOUT 2 H 1.0000 0.52966745 -0.74093866 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT 3 H1 1.0000 0.61177304 0.83243550 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 H1 1.007825 Effective nuclear repulsion energy (a.u.) 8.3533509897 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.1705471125 -1.2103277050 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s H1 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 14.7s Loading old vectors from job with title : Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 14.7s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9679909856 4.22D-02 1.73D-02 13.9 2 -75.9681215088 9.26D-04 5.23D-04 14.0 3 -75.9681216296 6.38D-06 2.97D-06 14.2 Final RHF results ------------------ Total SCF energy = -75.968121629631 One-electron energy = -121.436189972445 Two-electron energy = 37.114717353114 Nuclear repulsion energy = 8.353350989700 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5864 2 -1.3119 3 -0.6469 4 -0.5593 5 -0.4988 6 0.1650 7 0.2767 8 0.9218 9 1.1087 10 1.1457 11 1.1639 12 1.3569 13 1.4795 14 2.0207 15 2.0537 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.311897D+00 Symmetry=a' MO Center= 1.8D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.479139 1 O s 6 0.467141 1 O s 1 -0.211933 1 O s Vector 3 Occ=2.000000D+00 E=-6.469396D-01 Symmetry=a' MO Center= 1.6D-02, -6.7D-02, 0.0D+00, r^2= 8.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.449228 1 O py 8 0.287969 1 O py 16 -0.260301 2 H s 3 -0.254658 1 O px 6 0.205186 1 O s Vector 4 Occ=2.000000D+00 E=-5.593294D-01 Symmetry=a' MO Center= -4.5D-02, 6.3D-02, 0.0D+00, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.466467 1 O px 7 0.350594 1 O px 6 -0.258032 1 O s 18 0.220568 3 H s 4 0.207197 1 O py 19 0.204562 3 H s 8 0.159295 1 O py Vector 5 Occ=2.000000D+00 E=-4.988100D-01 Symmetry=a" MO Center= -1.4D-01, -9.5D-02, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.646030 1 O pz 9 0.504620 1 O pz Vector 6 Occ=0.000000D+00 E= 1.650143D-01 Symmetry=a' MO Center= 6.3D-01, 5.1D-01, 0.0D+00, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.088663 3 H s 6 -0.971644 1 O s 17 0.538062 2 H s 7 -0.487569 1 O px 8 -0.281269 1 O py 3 -0.254820 1 O px 4 -0.187211 1 O py MO Center= 6.8D-01, -6.7D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT 17 1.663824 2 H s 6 -0.742203 1 O s 19 -0.703710 3 H s 8 0.680216 1 O py 4 0.313622 1 O py 7 -0.265004 1 O px Vector 8 Occ=0.000000D+00 E= 9.218354D-01 Symmetry=a' MO Center= 4.6D-01, 6.7D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.161321 3 H s 18 1.083729 3 H s 6 0.551648 1 O s 16 -0.403232 2 H s 17 0.325261 2 H s 11 0.271957 1 O dxy 7 0.225222 1 O px 2 -0.207231 1 O s 3 -0.176328 1 O px Vector 9 Occ=0.000000D+00 E= 1.108685D+00 Symmetry=a' MO Center= -7.1D-02, -2.8D-02, 0.0D+00, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.754324 1 O s 2 -0.966055 1 O s 16 0.842267 2 H s 17 -0.618474 2 H s 19 -0.454307 3 H s 7 -0.443842 1 O px 8 0.422076 1 O py 15 -0.397856 1 O dzz 18 0.283735 3 H s 10 -0.281648 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.145724D+00 Symmetry=a' MO Center= -2.6D-01, -3.8D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.069921 1 O s 3 0.783788 1 O px 16 -0.702972 2 H s 2 -0.457885 1 O s 7 -0.455192 1 O px 8 -0.326763 1 O py 13 -0.247599 1 O dyy 10 -0.240384 1 O dxx 17 0.228862 2 H s 18 -0.180720 3 H s Vector 11 Occ=0.000000D+00 E= 1.163871D+00 Symmetry=a" MO Center= -1.5D-01, -9.1D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039389 1 O pz 5 0.958460 1 O pz Vector 12 Occ=0.000000D+00 E= 1.356878D+00 Symmetry=a' MO Center= -8.5D-02, -2.9D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.378546 1 O py 17 1.003931 2 H s 4 -0.993536 1 O py 6 -0.719083 1 O s 19 -0.471389 3 H s 2 0.300556 1 O s 16 -0.212240 2 H s 7 -0.165571 1 O px Vector 13 Occ=0.000000D+00 E= 1.479538D+00 Symmetry=a' MO Center= 3.0D-01, -6.2D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.933045 1 O s 7 1.273738 1 O px 2 -1.189374 1 O s 17 -0.797761 2 H s 3 -0.574166 1 O px 13 -0.576509 1 O dyy 18 -0.499735 3 H s 10 -0.425880 1 O dxx 16 -0.424947 2 H s 19 -0.286794 3 H s Vector 14 Occ=0.000000D+00 E= 2.020671D+00 Symmetry=a' MO Center= -1.9D-01, -8.8D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.931892 1 O dxx 13 -0.766349 1 O dyy 11 0.198589 1 O dxy Vector 15 Occ=0.000000D+00 E= 2.053661D+00 Symmetry=a" MO Center= -1.6D-01, -7.9D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.379913 1 O dyz 12 -1.045906 1 O dxz center of mass -------------- x = -0.13768281 y = -0.14387816 z = 0.00000000 moments of inertia (a.u.) ------------------ 4.575093087573 -0.868252401056 0.000000000000 -0.868252401056 3.369211463348 0.000000000000 0.000000000000 0.000000000000 7.944304550921 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.80 2.00 0.92 2.79 0.97 2.06 0.07 2 H 1 0.56 0.47 0.09 3 H 1 0.64 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.965609 0.000000 -0.170547 1 0 1 0 0.073415 0.000000 -1.210328 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.260437 0.000000 3.015573 2 1 1 0 0.081491 0.000000 0.819582 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.318790 0.000000 4.674210 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.535725 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.290945 -0.172904 0.000000 -0.090765 -0.108572 0.000000 2 H 1.000926 -1.400171 0.000000 0.001400 0.018016 0.000000 3 H1 1.156083 1.573075 0.000000 0.089365 0.090556 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.03 | ---------------------------------------- | WALL | 0.00 | 0.04 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 2 -75.96812163 -3.5D-02 0.01323 0.01008 0.09366 0.22504 15.3 Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94293 -0.01139 2*Stretch OH2 3 1 1.20000 0.12675 3 Bend HOH 3 1 2 93.87978 -0.01323 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94293 -0.01139 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 93.87978 -0.01323 Restricting large step in mode 1 eval= 4.0D-02 step= 3.2D-01 new= 3.0D-01 Restricting overall step due to large component. alpha= 1.00 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s H1 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 15.4s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 15.4s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- Sending upstream hdr.cmd = CMD_STDOUT 1 -75.9687918827 1.10D-01 4.84D-02 14.5 2 -75.9696876640 6.33D-03 2.76D-03 14.6 3 -75.9696923805 3.58D-05 1.67D-05 14.8 Final RHF results ------------------ Total SCF energy = -75.969692380489 One-electron energy = -121.424079798909 Two-electron energy = 37.129780952620 Nuclear repulsion energy = 8.324606465799 Time for solution = 0.4s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" ----------------- Sending upstream hdr.cmd = CMD_STDOUT 1 1 -20.5809 2 -1.3047 3 -0.6565 4 -0.5455 5 -0.4946 6 0.1660 7 0.2791 8 0.9364 9 1.1031 10 1.1471 11 1.1670 12 1.3668 13 1.4387 14 2.0392 15 2.0524 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304711D+00 Symmetry=a' MO Center= 4.2D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480315 1 O s 6 0.469047 1 O s 1 -0.212560 1 O s Vector 3 Occ=2.000000D+00 E=-6.565195D-01 Symmetry=a' MO Center= 7.4D-02, -3.6D-02, 0.0D+00, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.467266 1 O py 8 0.300337 1 O py 16 -0.254054 2 H s 3 -0.192938 1 O px 6 0.173378 1 O s 18 0.162249 3 H s Vector 4 Occ=2.000000D+00 E=-5.455470D-01 Symmetry=a' MO Center= -4.9D-02, 4.3D-02, 0.0D+00, r^2= 8.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.506436 1 O px 7 0.382432 1 O px 6 -0.265203 1 O s 18 0.199128 3 H s 19 0.186655 3 H s Vector 5 Occ=2.000000D+00 E=-4.945689D-01 Symmetry=a" MO Center= -9.6D-02, -8.9D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.644663 1 O pz 9 0.506162 1 O pz Vector 6 Occ=0.000000D+00 E= 1.660135D-01 Symmetry=a' MO Center= 6.1D-01, 5.4D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.094922 3 H s 6 0.999035 1 O s 17 -0.557521 2 H s 7 0.467578 1 O px 8 0.268908 1 O py 3 0.248138 1 O px 4 0.177251 1 O py Vector 7 Occ=0.000000D+00 E= 2.790684D-01 Symmetry=a' MO Center= 6.6D-01, -7.1D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.643057 2 H s 6 -0.731318 1 O s 8 0.712570 1 O py 19 -0.687244 3 H s 4 0.316203 1 O py 7 -0.230413 1 O px Vector 8 Occ=0.000000D+00 E= 9.363739D-01 Symmetry=a' MO Center= 4.9D-01, 7.9D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.164884 3 H s 18 1.134278 3 H s 6 0.567193 1 O s 11 0.261848 1 O dxy 16 -0.256599 2 H s 2 -0.230747 1 O s 17 0.215971 2 H s 3 -0.189717 1 O px 4 -0.176624 1 O py 7 0.168464 1 O px Vector 9 Occ=0.000000D+00 E= 1.103078D+00 Symmetry=a' MO Center= 1.4D-01, -2.4D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.139236 1 O s 16 1.073116 2 H s 2 -0.692119 1 O s 17 -0.647528 2 H s 8 0.509228 1 O py 7 -0.399302 1 O px 19 -0.341117 3 H s 15 -0.311942 1 O dzz 18 0.216464 3 H s 11 -0.209050 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.147096D+00 Symmetry=a' MO Center= -4.6D-01, -2.7D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.544288 1 O s 3 0.782738 1 O px 2 -0.710277 1 O s 7 -0.556052 1 O px 16 -0.481419 2 H s 13 -0.320462 1 O dyy 10 -0.289409 1 O dxx 15 -0.209980 1 O dzz 8 -0.182890 1 O py Vector 11 Occ=0.000000D+00 E= 1.166978D+00 Symmetry=a" MO Center= -1.1D-01, -8.5D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038712 1 O pz 5 0.959377 1 O pz Vector 12 Occ=0.000000D+00 E= 1.366837D+00 Symmetry=a' MO Center= -9.0D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.432465 1 O py 4 -1.006147 1 O py 17 0.929441 2 H s 6 -0.548609 1 O s 19 -0.472647 3 H s 2 0.222848 1 O s 16 -0.170733 2 H s Vector 13 Occ=0.000000D+00 E= 1.438708D+00 Symmetry=a' MO Center= 4.0D-01, -1.0D-01, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.075964 1 O s 2 -1.274525 1 O s 7 1.183833 1 O px 17 -0.890274 2 H s 13 -0.606993 1 O dyy 3 -0.593905 1 O px 18 -0.405835 3 H s 10 -0.382994 1 O dxx 19 -0.335170 3 H s 16 -0.306683 2 H s Vector 14 Occ=0.000000D+00 E= 2.039193D+00 Symmetry=a' MO Center= -1.5D-01, -8.1D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.996461 1 O dxx 13 -0.625397 1 O dyy 15 -0.320415 1 O dzz 6 -0.166608 1 O s Vector 15 Occ=0.000000D+00 E= 2.052447D+00 Symmetry=a" MO Center= -1.2D-01, -7.4D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.581093 1 O dyz 12 -0.706434 1 O dxz center of mass -------------- x = -0.07289151 y = -0.13394497 z = 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) ------------------ 5.202024681934 -0.811136852710 0.000000000000 -0.811136852710 2.823153180011 0.000000000000 0.000000000000 0.000000000000 8.025177861945 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.82 2.00 0.91 2.80 0.96 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.908444 0.000000 0.374488 1 0 1 0 0.077017 0.000000 -1.126768 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.363343 0.000000 2.538821 2 1 1 0 0.102705 0.000000 0.709359 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -2.947519 0.000000 5.278325 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.535796 0.000000 0.000000 Line search: step= 1.00 grad=-4.0D-03 hess= 2.4D-03 energy= -75.969692 mode=downhill new step= 0.82 predicted energy= -75.969768 -------- Step 3 -------- Geometry "geometry" -> "h2o_cs" Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- Sending upstream hdr.cmd = CMD_STDOUT 2 H 1.0000 0.50999166 -0.78913042 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT 3 H1 1.0000 0.59774821 0.87531028 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 H1 1.007825 Effective nuclear repulsion energy (a.u.) 8.3293341593 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2752475202 -1.1399942527 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s H1 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 15.9s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 15.9s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Sending upstream hdr.cmd = CMD_STDOUT Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9697325850 1.90D-02 9.36D-03 15.0 2 -75.9697591412 3.35D-04 1.31D-04 15.2 3 -75.9697591561 2.64D-06 1.37D-06 15.4 Final RHF results ------------------ Total SCF energy = -75.969759156108 One-electron energy = -121.425722235860 Two-electron energy = 37.126628920437 Nuclear repulsion energy = 8.329334159315 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Sending upstream hdr.cmd = CMD_STDOUT Final eigenvalues ----------------- 1 1 -20.5820 2 -1.3060 3 -0.6548 4 -0.5481 5 -0.4954 6 0.1660 7 0.2786 8 0.9341 9 1.1044 10 1.1464 11 1.1664 12 1.3649 13 1.4460 14 2.0353 15 2.0528 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.305970D+00 Symmetry=a' MO Center= 3.8D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480151 1 O s 6 0.468758 1 O s 1 -0.212464 1 O s Vector 3 Occ=2.000000D+00 E=-6.548178D-01 Symmetry=a' MO Center= 6.5D-02, -4.1D-02, 0.0D+00, r^2= 8.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.465173 1 O py 8 0.298898 1 O py 16 -0.255032 2 H s 3 -0.202340 1 O px 6 0.177975 1 O s 18 0.158426 3 H s Vector 4 Occ=2.000000D+00 E=-5.481260D-01 Symmetry=a' MO Center= -5.0D-02, 4.6D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.500813 1 O px 7 0.377650 1 O px 6 -0.264804 1 O s 18 0.202569 3 H s 19 0.189346 3 H s 4 0.154255 1 O py Vector 5 Occ=2.000000D+00 E=-4.953605D-01 Symmetry=a" MO Center= -1.0D-01, -9.0D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.644925 1 O pz 9 0.505868 1 O pz Vector 6 Occ=0.000000D+00 E= 1.660327D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.094304 3 H s 6 -0.994523 1 O s 17 0.554377 2 H s 7 -0.471471 1 O px 8 -0.271247 1 O py 3 -0.249369 1 O px 4 -0.179100 1 O py Vector 7 Occ=0.000000D+00 E= 2.786198D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.646030 2 H s 6 -0.733434 1 O s 8 0.706926 1 O py 19 -0.688848 3 H s 4 0.315888 1 O py 7 -0.236674 1 O px Vector 8 Occ=0.000000D+00 E= 9.341070D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.162952 3 H s 18 1.124859 3 H s 6 0.565562 1 O s 16 -0.290376 2 H s 11 0.265242 1 O dxy 17 0.238092 2 H s 2 -0.226147 1 O s 3 -0.187189 1 O px 7 0.180675 1 O px 4 -0.171584 1 O py Vector 9 Occ=0.000000D+00 E= 1.104371D+00 Symmetry=a' MO Center= 1.2D-01, -2.0D-01, 0.0D+00, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.254553 1 O s 16 1.039850 2 H s 2 -0.744242 1 O s 17 -0.646328 2 H s 8 0.499591 1 O py 7 -0.404464 1 O px 19 -0.373237 3 H s 15 -0.329566 1 O dzz 18 0.239770 3 H s 10 -0.216702 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.146447D+00 Symmetry=a' MO Center= -4.4D-01, -2.9D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.483851 1 O s 3 0.784914 1 O px 2 -0.677302 1 O s 7 -0.540621 1 O px 16 -0.519156 2 H s 13 -0.312535 1 O dyy 10 -0.283361 1 O dxx 8 -0.207595 1 O py 15 -0.195130 1 O dzz Vector 11 Occ=0.000000D+00 E= 1.166395D+00 Symmetry=a" MO Center= -1.2D-01, -8.6D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038843 1 O pz 5 0.959201 1 O pz Vector 12 Occ=0.000000D+00 E= 1.364939D+00 Symmetry=a' MO Center= -8.9D-02, -2.6D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.422868 1 O py 4 -1.004285 1 O py 17 0.947932 2 H s 6 -0.596453 1 O s 19 -0.469624 3 H s 2 0.244350 1 O s 16 -0.178751 2 H s Vector 13 Occ=0.000000D+00 E= 1.446020D+00 Symmetry=a' MO Center= 3.8D-01, -9.2D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.050301 1 O s 2 -1.258954 1 O s 7 1.201032 1 O px 17 -0.868802 2 H s 13 -0.605053 1 O dyy 3 -0.590786 1 O px 18 -0.424426 3 H s 10 -0.387427 1 O dxx 16 -0.330853 2 H s 19 -0.329273 3 H s Vector 14 Occ=0.000000D+00 E= 2.035347D+00 Symmetry=a' MO Center= -1.6D-01, -8.2D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988838 1 O dxx 13 -0.650409 1 O dyy 15 -0.290145 1 O dzz 6 -0.159964 1 O s Vector 15 Occ=0.000000D+00 E= 2.052786D+00 Symmetry=a" MO Center= -1.3D-01, -7.5D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.557286 1 O dyz 12 -0.757405 1 O dxz center of mass -------------- x = -0.08468880 y = -0.13551725 z = 0.00000000 moments of inertia (a.u.) ------------------ 5.092101055900 -0.819913878552 0.000000000000 -0.819913878552 2.918920521736 0.000000000000 0.000000000000 0.000000000000 8.011021577636 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.82 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.918916 0.000000 0.275248 1 0 1 0 0.076016 0.000000 -1.139994 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.345059 0.000000 2.617931 2 1 1 0 0.098318 0.000000 0.727346 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.013210 0.000000 5.172010 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.535674 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.227260 -0.162856 0.000000 -0.073223 -0.110458 0.000000 2 H 0.963744 -1.491240 0.000000 -0.005052 0.005674 0.000000 3 H1 1.129580 1.654097 0.000000 0.078275 0.104784 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.03 | ---------------------------------------- | WALL | 0.00 | 0.04 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 3 -75.96975916 -1.6D-03 0.00760 0.00439 0.04728 0.08588 16.6 Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94412 -0.00760 2*Stretch OH2 3 1 1.20000 0.13079 3 Bend HOH 3 1 2 101.37004 -0.00002 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.94412 -0.00760 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 101.37004 -0.00002 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s H1 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 16.6s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 16.6s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9697932839 9.23D-03 3.64D-03 15.6 2 -75.9697997653 3.53D-05 1.60D-05 15.8 Final RHF results ------------------ Total SCF energy = -75.969799765286 One-electron energy = -121.389649662706 Two-electron energy = 37.110860488368 Nuclear repulsion energy = 8.308989409051 Time for solution = 0.3s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5824 2 -1.3047 3 -0.6536 4 -0.5480 5 -0.4952 6 0.1660 7 0.2777 8 0.9342 9 1.1020 10 1.1451 11 1.1664 12 1.3639 13 1.4459 14 2.0359 15 2.0534 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304720D+00 Symmetry=a' MO Center= 3.6D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT 2 0.480312 1 O s 6 0.469880 1 O s 1 -0.212560 1 O s Vector 3 Occ=2.000000D+00 E=-6.536248D-01 Symmetry=a' MO Center= 6.6D-02, -4.2D-02, 0.0D+00, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.465385 1 O py 8 0.299723 1 O py 16 -0.254739 2 H s 3 -0.200426 1 O px 6 0.175590 1 O s 18 0.158690 3 H s Vector 4 Occ=2.000000D+00 E=-5.479523D-01 Symmetry=a' MO Center= -5.0D-02, 4.7D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.501182 1 O px 7 0.377928 1 O px 6 -0.265055 1 O s 18 0.202326 3 H s 19 0.189238 3 H s 4 0.152917 1 O py Vector 5 Occ=2.000000D+00 E=-4.952434D-01 Symmetry=a" MO Center= -1.0D-01, -8.9D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.644982 1 O pz 9 0.505811 1 O pz Vector 6 Occ=0.000000D+00 E= 1.659539D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.092593 3 H s 6 0.994089 1 O s 17 -0.557032 2 H s 7 0.472810 1 O px 8 0.268507 1 O py 3 0.250418 1 O px 4 0.177366 1 O py Vector 7 Occ=0.000000D+00 E= 2.777499D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.636117 2 H s 6 -0.722362 1 O s 8 0.707243 1 O py 19 -0.690747 3 H s 4 0.317449 1 O py 7 -0.234557 1 O px Vector 8 Occ=0.000000D+00 E= 9.342491D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163075 3 H s 18 1.124561 3 H s 6 0.562778 1 O s 16 -0.292488 2 H s 11 0.266274 1 O dxy 17 0.242583 2 H s 2 -0.225498 1 O s 3 -0.186411 1 O px 7 0.178848 1 O px 4 -0.171919 1 O py Vector 9 Occ=0.000000D+00 E= 1.101954D+00 Symmetry=a' MO Center= 1.5D-01, -2.3D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.207438 1 O s 16 1.059684 2 H s 2 -0.719021 1 O s 17 -0.664566 2 H s 8 0.492495 1 O py 7 -0.374898 1 O px 19 -0.368264 3 H s 15 -0.321916 1 O dzz 18 0.244241 3 H s 10 -0.205564 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.145075D+00 Symmetry=a' MO Center= -4.7D-01, -2.7D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.533714 1 O s 3 0.784998 1 O px 2 -0.709216 1 O s 7 -0.556975 1 O px 16 -0.476293 2 H s 13 -0.318184 1 O dyy 10 -0.292513 1 O dxx 15 -0.209407 1 O dzz 8 -0.179639 1 O py Vector 11 Occ=0.000000D+00 E= 1.166374D+00 Symmetry=a" MO Center= -1.2D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038870 1 O pz 5 0.959164 1 O pz Vector 12 Occ=0.000000D+00 E= 1.363888D+00 Symmetry=a' MO Center= -9.5D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.426287 1 O py 4 -1.004282 1 O py 17 0.938979 2 H s 6 -0.590159 1 O s 19 -0.469981 3 H s 2 0.240665 1 O s 16 -0.168108 2 H s Vector 13 Occ=0.000000D+00 E= 1.445873D+00 Symmetry=a' MO Center= 3.8D-01, -8.9D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.036333 1 O s 2 -1.254789 1 O s 7 1.200842 1 O px 17 -0.857599 2 H s 13 -0.604435 1 O dyy 3 -0.592651 1 O px 18 -0.424441 3 H s 10 -0.386947 1 O dxx 16 -0.332664 2 H s 19 -0.331096 3 H s Vector 14 Occ=0.000000D+00 E= 2.035875D+00 Symmetry=a' MO Center= -1.6D-01, -8.1D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988848 1 O dxx 13 -0.650765 1 O dyy 15 -0.289947 1 O dzz 6 -0.158882 1 O s Vector 15 Occ=0.000000D+00 E= 2.053407D+00 Symmetry=a" MO Center= -1.3D-01, -7.4D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.560449 1 O dyz 12 -0.750885 1 O dxz center of mass -------------- x = -0.08640306 y = -0.13321432 z = 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) ------------------ 5.105586491336 -0.808609038844 0.000000000000 -0.808609038844 2.932653022718 0.000000000000 Sending upstream hdr.cmd = CMD_STDOUT 0.000000000000 0.000000000000 8.038239514053 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.919675 0.000000 0.260827 1 0 1 0 0.074012 0.000000 -1.120622 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.347033 0.000000 2.629395 2 1 1 0 0.096800 0.000000 0.719079 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.011822 0.000000 5.181366 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.538935 0.000000 0.000000 Line search: step= 1.00 grad=-6.0D-05 hess= 2.0D-05 energy= -75.969800 mode=downhill new step= 1.54 predicted energy= -75.969805 -------- Step 4 -------- Geometry "geometry" -> "h2o_cs" ------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.12193754 -0.08392564 0.00000000 2 H 1.0000 0.51175770 -0.79245114 0.00000000 3 H1 1.0000 0.59765906 0.87637678 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 H1 1.007825 Effective nuclear repulsion energy (a.u.) 8.2980945924 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2530654083 -1.1101752249 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs Sending upstream hdr.cmd = CMD_STDOUT use symmetry = T symmetry adapt = T Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s H1 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 17.0s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 17.0s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9698038142 4.94D-03 1.95D-03 16.0 2 -75.9698056823 1.94D-05 8.89D-06 16.2 Final RHF results ------------------ Total SCF energy = -75.969805682255 One-electron energy = -121.370305911111 Two-electron energy = 37.102405636502 Nuclear repulsion energy = 8.298094592353 Time for solution = 0.3s Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5827 2 -1.3041 3 -0.6530 4 -0.5479 5 -0.4952 6 0.1659 7 0.2773 8 0.9343 9 1.1006 10 1.1444 11 1.1664 12 1.3633 13 1.4458 14 2.0362 15 2.0537 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304053D+00 Symmetry=a' MO Center= 3.5D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480398 1 O s 6 0.470479 1 O s 1 -0.212611 1 O s Vector 3 Occ=2.000000D+00 E=-6.529837D-01 Symmetry=a' MO Center= 6.6D-02, -4.2D-02, 0.0D+00, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.465508 1 O py 8 0.300170 1 O py 16 -0.254575 2 H s 3 -0.199374 1 O px 6 0.174300 1 O s 18 0.158838 3 H s Vector 4 Occ=2.000000D+00 E=-5.478566D-01 Symmetry=a' MO Center= -5.1D-02, 4.7D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.501380 1 O px 7 0.378081 1 O px 6 -0.265200 1 O s 18 0.202191 3 H s 19 0.189176 3 H s 4 0.152182 1 O py Vector 5 Occ=2.000000D+00 E=-4.951808D-01 Symmetry=a" MO Center= -1.0D-01, -8.8D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.645014 1 O pz 9 0.505779 1 O pz Vector 6 Occ=0.000000D+00 E= 1.659101D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.091651 3 H s 6 0.993850 1 O s 17 -0.558479 2 H s 7 0.473534 1 O px 8 0.267015 1 O py 3 0.250988 1 O px 4 0.176420 1 O py Vector 7 Occ=0.000000D+00 E= 2.772771D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.630771 2 H s 6 -0.716391 1 O s 8 0.707406 1 O py 19 -0.691800 3 H s 4 0.318288 1 O py 7 -0.233398 1 O px Vector 8 Occ=0.000000D+00 E= 9.343249D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163132 3 H s 18 1.124392 3 H s 6 0.561258 1 O s 16 -0.293657 2 H s 11 0.266831 1 O dxy 17 0.245027 2 H s 2 -0.225134 1 O s 3 -0.185986 1 O px 7 0.177863 1 O px 4 -0.172105 1 O py Vector 9 Occ=0.000000D+00 E= 1.100590D+00 Symmetry=a' MO Center= 1.7D-01, -2.4D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.182682 1 O s 16 1.069117 2 H s 2 -0.705567 1 O s 17 -0.673901 2 H s 8 0.488035 1 O py 19 -0.365442 3 H s 7 -0.359315 1 O px 15 -0.317745 1 O dzz 18 0.246513 3 H s 11 -0.202553 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.144401D+00 Symmetry=a' MO Center= -4.8D-01, -2.5D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.558852 1 O s 3 0.784444 1 O px 2 -0.725315 1 O s 7 -0.564773 1 O px 16 -0.453962 2 H s 13 -0.320914 1 O dyy 10 -0.297062 1 O dxx 15 -0.216652 1 O dzz 8 -0.165578 1 O py Vector 11 Occ=0.000000D+00 E= 1.166363D+00 Symmetry=a" MO Center= -1.2D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038886 1 O pz 5 0.959143 1 O pz Vector 12 Occ=0.000000D+00 E= 1.363342D+00 Symmetry=a' MO Center= -9.8D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.427991 1 O py 4 -1.004253 1 O py 17 0.934087 2 H s 6 -0.586524 1 O s 19 -0.470151 3 H s 2 0.238616 1 O s 16 -0.162524 2 H s Vector 13 Occ=0.000000D+00 E= 1.445797D+00 Symmetry=a' MO Center= 3.8D-01, -8.7D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.028879 1 O s 2 -1.252572 1 O s 7 1.200735 1 O px 17 -0.851653 2 H s 13 -0.604096 1 O dyy 3 -0.593661 1 O px 18 -0.424436 3 H s 10 -0.386691 1 O dxx 16 -0.333608 2 H s 19 -0.332052 3 H s Vector 14 Occ=0.000000D+00 E= 2.036160D+00 Symmetry=a' MO Center= -1.6D-01, -8.0D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988852 1 O dxx 13 -0.650958 1 O dyy 15 -0.289839 1 O dzz 6 -0.158301 1 O s Vector 15 Occ=0.000000D+00 E= 2.053742D+00 Symmetry=a" MO Center= -1.3D-01, -7.3D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.562165 1 O dyz 12 -0.747320 1 O dxz center of mass -------------- x = -0.08732571 y = -0.13197250 z = 0.00000000 moments of inertia (a.u.) ------------------ 5.112901343462 -0.802488318893 0.000000000000 -0.802488318893 2.940060196294 0.000000000000 0.000000000000 0.000000000000 8.052961539757 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 1 1 0 0 0.920082 0.000000 0.253065 1 0 1 0 0.072938 0.000000 -1.110175 Sending upstream hdr.cmd = CMD_STDOUT 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.348103 0.000000 2.635597 2 1 1 0 0.095982 0.000000 0.714574 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.011043 0.000000 5.186482 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.540691 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.230429 -0.158596 0.000000 -0.078282 -0.104688 0.000000 2 H 0.967082 -1.497516 0.000000 -0.000093 0.000040 0.000000 3 H1 1.129412 1.656112 0.000000 0.078375 0.104648 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.03 | ---------------------------------------- | WALL | 0.00 | 0.04 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 4 -75.96980568 -4.7D-05 0.00009 0.00006 0.00303 0.00628 17.4 ok ok Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95057 -0.00009 2*Stretch OH2 3 1 1.20000 0.13074 3 Bend HOH 3 1 2 101.34517 0.00004 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95057 -0.00009 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 101.34517 0.00004 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s H1 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 17.4s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 17.5s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9698056979 3.26D-04 1.29D-04 16.4 2 -75.9698057067 7.75D-06 2.98D-06 16.6 Final RHF results ------------------ Total SCF energy = -75.969805706672 One-electron energy = -121.369573621157 Two-electron energy = 37.102030105770 Nuclear repulsion energy = 8.297737808714 Time for solution = 0.2s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5827 2 -1.3040 3 -0.6529 4 -0.5479 5 -0.4952 6 0.1659 7 0.2773 8 0.9343 9 1.1006 10 1.1444 11 1.1664 12 1.3633 13 1.4459 14 2.0361 15 2.0538 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304045D+00 Symmetry=a' MO Center= 3.5D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480398 1 O s 6 0.470500 1 O s 1 -0.212612 1 O s Vector 3 Occ=2.000000D+00 E=-6.529342D-01 Symmetry=a' MO Center= 6.6D-02, -4.2D-02, 0.0D+00, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.465484 1 O py 8 0.300167 1 O py 16 -0.254583 2 H s 3 -0.199473 1 O px 6 0.174319 1 O s 18 0.158785 3 H s Vector 4 Occ=2.000000D+00 E=-5.478897D-01 Symmetry=a' MO Center= -5.1D-02, 4.8D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.501301 1 O px 7 0.378016 1 O px 6 -0.265203 1 O s 18 0.202237 3 H s 19 0.189215 3 H s 4 0.152293 1 O py Vector 5 Occ=2.000000D+00 E=-4.951894D-01 Symmetry=a" MO Center= -1.0D-01, -8.8D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.645019 1 O pz 9 0.505774 1 O pz Vector 6 Occ=0.000000D+00 E= 1.659083D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.091606 3 H s 6 0.993771 1 O s 17 -0.558485 2 H s 7 0.473620 1 O px 8 0.266992 1 O py 3 0.251029 1 O px 4 0.176411 1 O py Vector 7 Occ=0.000000D+00 E= 2.772512D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.630608 2 H s 6 -0.716190 1 O s 8 0.707327 1 O py 19 -0.691865 3 H s 4 0.318313 1 O py 7 -0.233444 1 O px Vector 8 Occ=0.000000D+00 E= 9.342926D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163107 3 H s 18 1.124243 3 H s 6 0.561157 1 O s 16 -0.294181 2 H s 11 0.266898 1 O dxy 17 0.245453 2 H s 2 -0.225050 1 O s 3 -0.185928 1 O px 7 0.177990 1 O px 4 -0.172036 1 O py Vector 9 Occ=0.000000D+00 E= 1.100558D+00 Symmetry=a' MO Center= 1.7D-01, -2.4D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.183368 1 O s 16 1.069018 2 H s 2 -0.705792 1 O s 17 -0.674249 2 H s 8 0.487731 1 O py 19 -0.365792 3 H s 7 -0.358776 1 O px 15 -0.317837 1 O dzz 18 0.246932 3 H s 11 -0.202449 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.144365D+00 Symmetry=a' MO Center= -4.8D-01, -2.5D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.559017 1 O s 3 0.784460 1 O px 2 -0.725497 1 O s 7 -0.564863 1 O px 16 -0.453631 2 H s 13 -0.320916 1 O dyy 10 -0.297162 1 O dxx 15 -0.216732 1 O dzz 8 -0.165370 1 O py Vector 11 Occ=0.000000D+00 E= 1.166354D+00 Symmetry=a" MO Center= -1.2D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Vector 12 Occ=0.000000D+00 E= 1.363292D+00 Symmetry=a' Sending upstream hdr.cmd = CMD_STDOUT MO Center= -9.9D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.427916 1 O py 4 -1.004226 1 O py 17 0.934120 2 H s 6 -0.586939 1 O s 19 -0.470133 3 H s 2 0.238788 1 O s 16 -0.162423 2 H s Vector 13 Occ=0.000000D+00 E= 1.445903D+00 Symmetry=a' MO Center= 3.8D-01, -8.7D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.028222 1 O s 2 -1.252264 1 O s 7 1.200977 1 O px 17 -0.851144 2 H s 13 -0.604042 1 O dyy 3 -0.593656 1 O px 18 -0.424700 3 H s 10 -0.386758 1 O dxx 16 -0.333980 2 H s 19 -0.331983 3 H s Vector 14 Occ=0.000000D+00 E= 2.036116D+00 Symmetry=a' MO Center= -1.6D-01, -8.0D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988730 1 O dxx 13 -0.651333 1 O dyy 15 -0.289383 1 O dzz 6 -0.158166 1 O s Vector 15 Occ=0.000000D+00 E= 2.053760D+00 Symmetry=a" MO Center= -1.3D-01, -7.3D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.561857 1 O dyz 12 -0.747962 1 O dxz center of mass -------------- x = -0.08753485 y = -0.13194700 z = 0.00000000 moments of inertia (a.u.) ------------------ 5.111558127224 -0.802376782226 0.000000000000 -0.802376782226 2.941772599304 0.000000000000 0.000000000000 0.000000000000 8.053330726529 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.920256 0.000000 0.251306 1 0 1 0 0.072881 0.000000 -1.109961 2 2 0 0 -4.347879 0.000000 2.637037 2 1 1 0 0.095883 0.000000 0.714658 Sending upstream hdr.cmd = CMD_STDOUT 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.011969 0.000000 5.185106 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.540762 0.000000 0.000000 Line search: step= 1.00 grad=-4.7D-08 hess= 2.2D-08 energy= -75.969806 mode=accept new step= 1.00 predicted energy= -75.969806 -------- Step 5 -------- Geometry "geometry" -> "h2o_cs" Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z Sending upstream hdr.cmd = CMD_STDOUT 1 O 8.0000 -0.12207054 -0.08390943 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT 2 H 1.0000 0.51184640 -0.79235068 0.00000000 3 H1 1.0000 0.59770337 0.87626010 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 H1 1.007825 Effective nuclear repulsion energy (a.u.) 8.2977378087 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2513060488 -1.1099607507 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s H1 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 The SCF is already converged Total SCF energy = -75.969805706672 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.230680 -0.158566 0.000000 -0.078411 -0.104604 0.000000 2 H 0.967249 -1.497326 0.000000 -0.000002 -0.000000 0.000000 3 H1 1.129496 1.655891 0.000000 0.078413 0.104604 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.03 | ---------------------------------------- | WALL | 0.00 | 0.04 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 5 -75.96980571 -2.4D-08 0.00000 0.00000 0.00014 0.00025 17.9 ok ok ok ok Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 0.13073 3 Bend HOH 3 1 2 101.32125 0.00000 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 101.32125 0.00000 ---------------------- Optimization converged ---------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- @ 5 -75.96980571 -2.4D-08 0.00000 0.00000 0.00014 0.00025 17.9 ok ok ok ok Internal coordinate gradient before constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 0.13073 3 Bend HOH 3 1 2 101.32125 0.00000 Internal coordinate gradient after constraints Z-matrix (user) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch OH1 2 1 0.95065 -0.00000 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 101.32125 0.00000 Geometry "geometry" -> "h2o_cs" ------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.12207054 -0.08390943 0.00000000 2 H 1.0000 0.51184640 -0.79235068 0.00000000 3 H1 1.0000 0.59770337 0.87626010 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 H1 1.007825 Effective nuclear repulsion energy (a.u.) 8.2977378087 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2513060488 -1.1099607507 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 Final and change from initial internal coordinates -------------------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Change ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- Sending upstream hdr.cmd = CMD_STDOUT 1 Stretch OH1 2 1 0.95065 -0.24935 2*Stretch OH2 3 1 1.20000 0.00000 3 Bend HOH 3 1 2 101.32125 -6.67875 ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 H | 1 O | 1.79647 | 0.95065 ------------------------------------------------------------------------------ number of included internuclear distances: 1 ============================================================================== Task times cpu: 5.7s wall: 6.2s Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- Deleted DRIVER restart files NWChem Geometry Optimization ---------------------------- maximum gradient threshold (gmax) = 0.000450 rms gradient threshold (grms) = 0.000300 maximum cartesian step threshold (xmax) = 0.001800 rms cartesian step threshold (xrms) = 0.001200 fixed trust radius (trust) = 0.300000 maximum step size to saddle (sadstp) = 0.100000 energy precision (eprec) = 1.0D-07 maximum number of steps (nptopt) = 40 initial hessian option (inhess) = 0 line search option (linopt) = 1 hessian update option (modupd) = 1 saddle point option (modsad) = 0 initial eigen-mode to follow (moddir) = 0 initial variable to follow (vardir) = 0 follow first negative mode (firstneg) = T apply conjugacy (opcg) = F source of zmatrix = autoz ------------------- Energy Minimization ------------------- Names of Z-matrix variables 1 r 2 3 Variables with the same non-blank name are constrained to be equal Number of frozen variables = 1 Frozen variables = 1 Using diagonal initial Hessian Scaling for Hessian diagonals: bonds = 1.00 angles = 0.25 torsions = 0.10 -------- Step 0 -------- Geometry "geometry" -> "h2o_cart" --------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.14106846 -0.00000000 0.00000000 2 H 1.0000 0.56427384 -0.97082039 0.00000000 3 H 1.0000 0.56427384 0.97082039 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 7.3282379379 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.0000000110 -0.0000000197 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 17.9s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 17.9s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Sending upstream hdr.cmd = CMD_STDOUT Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9114937220 4.50D-01 1.85D-01 16.8 2 -75.9255746448 1.85D-01 9.86D-02 16.9 3 -75.9278671613 1.19D-02 4.57D-03 17.0 4 -75.9278877736 1.17D-04 6.55D-05 17.3 5 -75.9278877763 4.29D-06 1.97D-06 17.4 Final RHF results ------------------ Total SCF energy = -75.927887776344 One-electron energy = -119.592298838243 Two-electron energy = 36.336173124027 Nuclear repulsion energy = 7.328237937872 Time for solution = 0.7s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.6012 2 -1.2501 3 -0.5989 4 -0.5216 5 -0.4882 6 0.1453 7 0.2280 8 0.9418 9 0.9530 10 1.1327 11 1.1677 12 1.3621 13 1.4022 14 2.0765 15 2.0800 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.250097D+00 Symmetry=a' MO Center= -3.4D-02, -2.7D-07, 0.0D+00, r^2= 5.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.511379 1 O s 2 0.490735 1 O s 1 -0.217990 1 O s Vector 3 Occ=2.000000D+00 E=-5.988839D-01 Symmetry=a' MO Center= 1.3D-01, 5.6D-07, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.470700 1 O py 8 0.335312 1 O py 16 -0.206756 2 H s 18 0.206756 3 H s 17 -0.171527 2 H s 19 0.171527 3 H s Vector 4 Occ=2.000000D+00 E=-5.215883D-01 Symmetry=a' MO Center= -6.1D-02, 8.5D-07, 0.0D+00, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.530124 1 O px 7 0.405236 1 O px 6 -0.258526 1 O s Vector 5 Occ=2.000000D+00 E=-4.882243D-01 Symmetry=a" MO Center= -1.3D-01, 4.9D-08, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Vector 6 Occ=0.000000D+00 E= 1.452812D-01 Symmetry=a' MO Center= 5.6D-01, -6.1D-06, 0.0D+00, r^2= 2.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.922166 1 O s 17 -0.822333 2 H s 19 -0.822328 3 H s 7 0.498957 1 O px 3 0.300246 1 O px Sending upstream hdr.cmd = CMD_STDOUT Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT 17 0.973820 2 H s 19 -0.973824 3 H s 8 0.721685 1 O py 4 0.392560 1 O py Vector 8 Occ=0.000000D+00 E= 9.418223D-01 Symmetry=a' MO Center= 6.0D-01, -4.9D-05, 0.0D+00, r^2= 1.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 0.818493 2 H s 18 0.818450 3 H s 6 0.776887 1 O s 17 -0.770763 2 H s 19 -0.770717 3 H s 2 -0.344766 1 O s 3 -0.306889 1 O px 15 -0.186019 1 O dzz Vector 9 Occ=0.000000D+00 E= 9.530188D-01 Symmetry=a' MO Center= 4.5D-01, 4.9D-05, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 -0.886054 2 H s 19 0.886094 3 H s 16 0.835914 2 H s 18 -0.835956 3 H s 11 -0.339140 1 O dxy 4 0.268009 1 O py Vector 10 Occ=0.000000D+00 E= 1.132664D+00 Symmetry=a' MO Center= -6.3D-01, -3.5D-07, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.112032 1 O s 2 -1.063369 1 O s 3 0.646814 1 O px 7 -0.566727 1 O px 10 -0.380566 1 O dxx 13 -0.372380 1 O dyy 15 -0.364923 1 O dzz 17 -0.259808 2 H s 19 -0.259807 3 H s Vector 11 Occ=0.000000D+00 E= 1.167741D+00 Symmetry=a" MO Center= -1.4D-01, -1.2D-08, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.041170 1 O pz 5 0.956241 1 O pz Vector 12 Occ=0.000000D+00 E= 1.362147D+00 Symmetry=a' MO Center= -2.7D-01, -6.7D-07, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.420889 1 O py 4 -0.974140 1 O py 17 0.428749 2 H s 19 -0.428747 3 H s 11 -0.247934 1 O dxy 16 0.151423 2 H s 18 -0.151421 3 H s Vector 13 Occ=0.000000D+00 E= 1.402187D+00 Symmetry=a' MO Center= 3.8D-01, 1.1D-06, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.478930 1 O s 2 -1.111258 1 O s 7 1.111847 1 O px 3 -0.689734 1 O px 13 -0.560196 1 O dyy 17 -0.430085 2 H s 19 -0.430087 3 H s 10 -0.335463 1 O dxx 16 -0.329647 2 H s 18 -0.329648 3 H s Vector 14 Occ=0.000000D+00 E= 2.076462D+00 Symmetry=a' MO Center= -1.8D-01, -2.1D-08, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 1.009239 1 O dxx 13 -0.555854 1 O dyy 15 -0.409762 1 O dzz Vector 15 Occ=0.000000D+00 E= 2.079961D+00 Symmetry=a" MO Center= -1.4D-01, -3.5D-08, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.732051 1 O dyz center of mass -------------- x = -0.11740896 y = -0.00000000 z = 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) ------------------ Sending upstream hdr.cmd = CMD_STDOUT 6.784073965773 -0.000000013839 0.000000000000 -0.000000013839 3.180293777615 0.000000000000 0.000000000000 0.000000000000 9.964367743388 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.77 2.00 0.92 2.70 0.99 2.12 0.05 2 H 1 0.61 0.37 0.25 3 H 1 0.61 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.892668 0.000000 -0.000000 1 0 1 0 -0.000005 0.000000 -0.000000 2 2 0 0 -4.549773 0.000000 2.842612 2 1 1 0 -0.000003 0.000000 0.000000 Sending upstream hdr.cmd = CMD_STDOUT 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -2.543325 0.000000 6.731401 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.718032 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.266581 -0.000000 0.000000 -0.135501 0.000000 0.000000 2 H 1.066323 -1.834585 0.000000 0.067751 -0.113167 0.000000 3 H 1.066323 1.834585 0.000000 0.067751 0.113166 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- @ Step Energy Delta E Gmax Grms Xrms Xmax Walltime @ ---- ---------------- -------- -------- -------- -------- -------- -------- @ 0 -75.92788778 0.0D+00 0.13138 0.07628 0.00000 0.00000 18.8 Internal coordinate gradient before constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.13138 2 Stretch 1 2 1.20000 0.13138 3 Bend 2 1 3 108.00000 0.01405 Internal coordinate gradient after constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 -0.00000 2 Stretch 1 2 1.20000 0.13138 3 Bend 2 1 3 108.00000 0.01405 Restricting large step in mode 2 eval= 2.3D-01 step=-5.8D-01 new=-3.0D-01 Restricting large step in mode 3 eval= 4.4D-02 step=-3.2D-01 new=-3.0D-01 Restricting overall step due to large component. alpha= 1.00 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 18.8s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 18.8s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9563152256 2.79D-01 1.06D-01 17.6 2 -75.9617717132 9.96D-02 5.08D-02 17.7 3 -75.9625365002 6.82D-03 2.66D-03 17.9 4 -75.9625416839 2.77D-05 1.40D-05 18.1 Final RHF results ------------------ Total SCF energy = -75.962541683890 One-electron energy = -120.645755077156 Two-electron energy = 36.779488775557 Nuclear repulsion energy = 7.903724617708 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5936 2 -1.2825 3 -0.6256 4 -0.5474 5 -0.4943 6 0.1631 7 0.2560 8 0.9334 9 1.0391 10 1.1310 11 1.1650 12 1.3466 13 1.4545 14 2.0427 15 2.0667 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.282468D+00 Symmetry=a' MO Center= -1.1D-02, -9.3D-02, 0.0D+00, r^2= 5.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.490473 1 O s 2 0.483812 1 O s 1 -0.214597 1 O s Vector 3 Occ=2.000000D+00 E=-6.255617D-01 Symmetry=a' MO Center= 7.6D-02, -6.2D-02, 0.0D+00, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.467984 1 O py 8 0.315438 1 O py 16 -0.246684 2 H s 3 -0.164935 1 O px 17 -0.163486 2 H s 18 0.162871 3 H s Vector 4 Occ=2.000000D+00 E=-5.474474D-01 Symmetry=a' MO Center= -7.0D-02, 5.9D-02, 0.0D+00, r^2= 8.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.502891 1 O px 7 0.378315 1 O px 6 -0.270062 1 O s 18 0.198693 3 H s 19 0.187609 3 H s 2 -0.152031 1 O s Vector 5 Occ=2.000000D+00 E=-4.942733D-01 Symmetry=a" MO Center= -1.4D-01, -6.0D-02, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.647031 1 O pz 9 0.503689 1 O pz Vector 6 Occ=0.000000D+00 E= 1.631210D-01 Symmetry=a' MO Center= 6.1D-01, 4.2D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.038692 3 H s 6 0.977095 1 O s 17 -0.626167 2 H s 7 0.505738 1 O px 3 0.275734 1 O px 8 0.202842 1 O py Vector 7 Occ=0.000000D+00 E= 2.560377D-01 Symmetry=a' MO Center= 6.2D-01, -5.3D-01, 0.0D+00, r^2= 2.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.414480 2 H s 19 -0.755100 3 H s 8 0.703300 1 O py 6 -0.474111 1 O s 4 0.350408 1 O py 7 -0.186933 1 O px Vector 8 Occ=0.000000D+00 E= 9.333521D-01 Symmetry=a' MO Center= 4.6D-01, 6.8D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.151533 3 H s 18 1.091719 3 H s 6 0.463055 1 O s 16 -0.414331 2 H s 17 0.408587 2 H s 11 0.294879 1 O dxy 2 -0.188981 1 O s 4 -0.177018 1 O py 3 -0.153040 1 O px Vector 9 Occ=0.000000D+00 E= 1.039063D+00 Symmetry=a' MO Center= 4.7D-01, -4.9D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 1.101203 2 H s 17 -0.889372 2 H s 6 0.870281 1 O s 2 -0.475738 1 O s 18 0.367592 3 H s 19 -0.364360 3 H s 3 -0.303039 1 O px 8 0.236728 1 O py 15 -0.237577 1 O dzz 11 -0.178962 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.131016D+00 Symmetry=a' MO Center= -6.5D-01, -5.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.972767 1 O s 2 -0.985073 1 O s 3 0.699770 1 O px 7 -0.598425 1 O px 10 -0.365837 1 O dxx 13 -0.357547 1 O dyy 15 -0.333305 1 O dzz 19 -0.202717 3 H s 17 -0.178558 2 H s Vector 11 Occ=0.000000D+00 E= 1.165040D+00 Symmetry=a" MO Center= -1.5D-01, -5.7D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039901 1 O pz 5 0.957804 1 O pz Vector 12 Occ=0.000000D+00 E= 1.346638D+00 Symmetry=a' MO Center= -2.0D-01, -1.4D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.433496 1 O py 4 -0.996717 1 O py 17 0.737986 2 H s 19 -0.473081 3 H s 6 -0.379321 1 O s Vector 13 Occ=0.000000D+00 E= 1.454526D+00 Symmetry=a' MO Center= 3.3D-01, -3.9D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.738585 1 O s 7 1.213057 1 O px 2 -1.159917 1 O s 17 -0.636732 2 H s 3 -0.630430 1 O px 13 -0.582962 1 O dyy 18 -0.439555 3 H s 10 -0.386863 1 O dxx 16 -0.383828 2 H s 19 -0.347660 3 H s Vector 14 Occ=0.000000D+00 E= 2.042679D+00 Symmetry=a' MO Center= -1.9D-01, -5.5D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.974964 1 O dxx 13 -0.691817 1 O dyy 15 -0.243060 1 O dzz Vector 15 Occ=0.000000D+00 E= 2.066750D+00 Symmetry=a" MO Center= -1.6D-01, -4.9D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.603796 1 O dyz 12 -0.653569 1 O dxz center of mass -------------- x = -0.13896093 y = -0.09028759 z = 0.00000000 moments of inertia (a.u.) ------------------ 5.282475527885 -0.530741753507 0.000000000000 -0.530741753507 3.371668694239 0.000000000000 0.000000000000 0.000000000000 8.654144222124 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.80 2.00 0.92 2.75 0.98 2.09 0.06 2 H 1 0.58 0.43 0.15 3 H 1 0.63 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.947182 0.000000 -0.181299 1 0 1 0 0.043204 0.000000 -0.759515 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.364742 0.000000 3.017276 2 1 1 0 0.042806 0.000000 0.501060 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.069206 0.000000 5.294481 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.609124 0.000000 0.000000 Line search: step= 1.00 grad=-4.4D-02 hess= 9.0D-03 energy= -75.962542 mode=downhill new step= 2.43 predicted energy= -75.980915 -------- Step 1 -------- Geometry "geometry" -> "h2o_cart" Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- Sending upstream hdr.cmd = CMD_STDOUT 2 H 1.0000 0.50678580 -0.62599142 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT 3 H 1.0000 0.62964525 0.76955528 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 9.1058178382 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.1042818514 -1.8990745949 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 19.4s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 19.5s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9105778482 5.68D-01 2.21D-01 18.3 2 -75.9308018009 1.90D-01 9.41D-02 18.4 3 -75.9334884984 1.18D-02 5.82D-03 18.5 4 -75.9335053069 6.84D-05 3.09D-05 18.8 Final RHF results ------------------ Total SCF energy = -75.933505306930 One-electron energy = -122.681544199233 Two-electron energy = 37.642221054078 Nuclear repulsion energy = 9.105817838225 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a" 11 a' 12 a' 13 a' 14 a' 15 a" Sending upstream hdr.cmd = CMD_STDOUT Final eigenvalues ----------------- 1 1 -20.5754 2 -1.3672 3 -0.6753 4 -0.5736 5 -0.5069 6 0.1605 7 0.3009 8 0.9040 9 1.1117 10 1.1618 11 1.2397 12 1.4384 13 1.5049 14 1.9957 15 2.0329 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.367208D+00 Symmetry=a' Sending upstream hdr.cmd = CMD_STDOUT MO Center= 7.0D-02, -2.2D-01, 0.0D+00, r^2= 4.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.472251 1 O s 6 0.418979 1 O s 1 -0.208278 1 O s 16 0.192100 2 H s Vector 3 Occ=2.000000D+00 E=-6.753232D-01 Symmetry=a' MO Center= -8.8D-02, -6.9D-02, 0.0D+00, r^2= 6.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 -0.400029 1 O py 3 0.365221 1 O px 6 -0.307657 1 O s 16 0.267366 2 H s 8 -0.236287 1 O py 7 0.196183 1 O px Vector 4 Occ=2.000000D+00 E=-5.736438D-01 Symmetry=a' MO Center= 6.8D-03, 4.2D-02, 0.0D+00, r^2= 9.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.392405 1 O px 4 0.306113 1 O py 7 0.299009 1 O px 18 0.242129 3 H s 8 0.226690 1 O py 6 -0.224835 1 O s 19 0.222444 3 H s Vector 5 Occ=2.000000D+00 E=-5.069295D-01 Symmetry=a" MO Center= -1.3D-01, -1.5D-01, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.646387 1 O pz 9 0.503936 1 O pz Vector 6 Occ=0.000000D+00 E= 1.605254D-01 Symmetry=a' MO Center= 6.5D-01, 5.1D-01, 0.0D+00, r^2= 1.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.095422 3 H s 6 -0.964047 1 O s 17 0.489435 2 H s 7 -0.453409 1 O px 8 -0.351045 1 O py 4 -0.234617 1 O py 3 -0.226510 1 O px Vector 7 Occ=0.000000D+00 E= 3.009376D-01 Symmetry=a' MO Center= 7.7D-01, -7.0D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 2.006059 2 H s 6 -1.080699 1 O s 19 -0.754044 3 H s 8 0.641316 1 O py 7 -0.341832 1 O px 4 0.269744 1 O py Vector 8 Occ=0.000000D+00 E= 9.039655D-01 Symmetry=a' MO Center= 4.6D-01, 6.5D-01, 0.0D+00, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.167085 3 H s 18 1.063025 3 H s 7 0.363699 1 O px 11 0.230317 1 O dxy Sending upstream hdr.cmd = CMD_STDOUT 2 -0.214601 1 O s 3 -0.212790 1 O px 17 0.189757 2 H s 8 -0.188041 1 O py Vector 9 Occ=0.000000D+00 E= 1.111748D+00 Symmetry=a' MO Center= -5.7D-01, 7.3D-02, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.804388 1 O s 2 -0.993607 1 O s 7 -0.732153 1 O px 3 0.536024 1 O px 19 -0.403378 3 H s 16 0.386336 2 H s 15 -0.374747 1 O dzz 10 -0.353094 1 O dxx 8 0.345491 1 O py 13 -0.325413 1 O dyy Vector 10 Occ=0.000000D+00 E= 1.161846D+00 Symmetry=a" MO Center= -1.5D-01, -1.4D-01, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039712 1 O pz 5 0.958117 1 O pz Vector 11 Occ=0.000000D+00 E= 1.239694D+00 Symmetry=a' MO Center= -1.0D-01, -3.3D-01, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.093636 1 O py 16 0.791898 2 H s 3 -0.556100 1 O px 4 -0.542588 1 O py 19 -0.505863 3 H s 6 -0.490911 1 O s 17 0.211466 2 H s 11 -0.201810 1 O dxy 18 0.197870 3 H s Vector 12 Occ=0.000000D+00 E= 1.438380D+00 Symmetry=a' MO Center= 2.3D-01, -5.1D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.362848 1 O s 17 -1.359656 2 H s 8 -0.963914 1 O py 4 0.802652 1 O py 2 -0.659661 1 O s 16 0.636698 2 H s 3 -0.443696 1 O px 7 0.343346 1 O px 19 0.332318 3 H s 15 -0.302924 1 O dzz Vector 13 Occ=0.000000D+00 E= 1.504872D+00 Symmetry=a' MO Center= 2.3D-01, -7.2D-02, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.157878 1 O s 7 1.336597 1 O px 2 -1.176542 1 O s 17 -0.991185 2 H s 18 -0.577258 3 H s 16 -0.544472 2 H s 13 -0.519572 1 O dyy 10 -0.498096 1 O dxx 3 -0.430781 1 O px 4 -0.218114 1 O py Vector 14 Occ=0.000000D+00 E= 1.995712D+00 Symmetry=a' MO Center= -1.7D-01, -1.4D-01, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 -0.863421 1 O dyy 10 0.812082 1 O dxx 11 0.427071 1 O dxy Vector 15 Occ=0.000000D+00 E= 2.032879D+00 Symmetry=a" MO Center= -1.7D-01, -1.3D-01, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.403698 1 O dxz 14 -1.012781 1 O dyz center of mass -------------- x = -0.12980550 y = -0.22575321 z = 0.00000000 moments of inertia (a.u.) ------------------ 3.801067300156 -1.295779473192 0.000000000000 -1.295779473192 3.314985307956 0.000000000000 0.000000000000 0.000000000000 7.116052608112 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.78 2.00 0.92 2.86 0.94 2.00 0.07 2 H 1 0.57 0.54 0.03 3 H 1 0.65 0.38 0.27 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.981336 0.000000 -0.104282 1 0 1 0 0.135917 0.000000 -1.899075 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.111853 0.000000 2.966762 2 1 1 0 0.116975 0.000000 1.208363 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.629046 0.000000 4.103029 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.431132 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.281478 -0.271296 0.000000 0.089009 -0.259840 0.000000 2 H 0.957686 -1.182952 0.000000 -0.186925 0.184932 0.000000 3 H 1.189857 1.454249 0.000000 0.097916 0.074908 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Internal coordinate gradient before constraints Sending upstream hdr.cmd = CMD_STDOUT Z-matrix (autoz) -------- Sending upstream hdr.cmd = CMD_STDOUT Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.12053 2 Stretch 1 2 0.81408 -0.26016 3 Bend 2 1 3 85.88848 -0.03109 Internal coordinate gradient after constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.00000 2 Stretch 1 2 0.81408 -0.26016 3 Bend 2 1 3 85.88848 -0.03109 Restricting large step in mode 1 eval= 4.2D-02 step= 4.9D-01 new= 3.0D-01 Restricting large step in mode 2 eval= 5.2D-01 step= 5.0D-01 new= 3.0D-01 Restricting overall step due to large component. alpha= 0.96 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 20.2s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a" 11 a' 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 20.2s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Sending upstream hdr.cmd = CMD_STDOUT Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9578610165 3.92D-01 1.62D-01 19.0 2 -75.9673445869 1.29D-01 6.28D-02 19.0 3 -75.9685803162 8.66D-03 5.51D-03 19.2 4 -75.9685925473 7.02D-05 3.50D-05 19.4 Final RHF results ------------------ Total SCF energy = -75.968592547257 One-electron energy = -121.283802480678 Two-electron energy = 37.050444961105 Nuclear repulsion energy = 8.264764972316 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 2 -1.3057 Sending upstream hdr.cmd = CMD_STDOUT 3 -0.6431 4 -0.5571 5 -0.4978 6 0.1651 7 0.2731 8 0.9243 9 1.0998 10 1.1384 11 1.1641 12 1.3533 13 1.4746 14 2.0249 15 2.0563 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.305738D+00 Symmetry=a' MO Center= 1.3D-02, -1.4D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480028 1 O s 6 0.472148 1 O s 1 -0.212449 1 O s Vector 3 Occ=2.000000D+00 E=-6.431196D-01 Symmetry=a' MO Center= 2.9D-02, -6.7D-02, 0.0D+00, r^2= 8.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.454131 1 O py 8 0.294030 1 O py 16 -0.258341 2 H s 3 -0.237514 1 O px 6 0.190301 1 O s 17 -0.150269 2 H s Vector 4 Occ=2.000000D+00 E=-5.570511D-01 Symmetry=a' MO Center= -5.1D-02, 6.4D-02, 0.0D+00, r^2= 8.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.475070 1 O px 7 0.356946 1 O px 6 -0.261235 1 O s 18 0.216675 3 H s 19 0.201473 3 H s 4 0.192318 1 O py 2 -0.150345 1 O s Vector 5 Occ=2.000000D+00 E=-4.978272D-01 Symmetry=a" MO Center= -1.4D-01, -8.8D-02, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.646130 1 O pz 9 0.504545 1 O pz Vector 6 Occ=0.000000D+00 E= 1.650660D-01 Symmetry=a' MO Center= 6.3D-01, 5.0D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.083343 3 H s 6 -0.973486 1 O s 17 0.550773 2 H s 7 -0.491177 1 O px 8 -0.268738 1 O py 3 -0.258597 1 O px 4 -0.178862 1 O py Vector 7 Occ=0.000000D+00 E= 2.730503D-01 Symmetry=a' MO Center= 6.7D-01, -6.5D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.618692 2 H s 19 -0.706687 3 H s 6 -0.695102 1 O s 8 0.685434 1 O py 4 0.320346 1 O py 7 -0.251553 1 O px Vector 8 Occ=0.000000D+00 E= 9.242903D-01 Symmetry=a' MO Center= 4.6D-01, 6.8D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.159833 3 H s 18 1.086393 3 H s 6 0.535901 1 O s 16 -0.403070 2 H s 17 0.339906 2 H s 11 0.276843 1 O dxy 7 0.208470 1 O px 2 -0.204987 1 O s 3 -0.172139 1 O px 4 -0.151313 1 O py Vector 9 Occ=0.000000D+00 E= 1.099848D+00 Symmetry=a' MO Center= 1.6D-01, -1.7D-01, 0.0D+00, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.484842 1 O s 16 0.987566 2 H s 2 -0.832946 1 O s 17 -0.710057 2 H s 19 -0.448570 3 H s 8 0.428175 1 O py 15 -0.361269 1 O dzz 18 0.319574 3 H s 7 -0.308943 1 O px 10 -0.221066 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.138358D+00 Symmetry=a' MO Center= -4.6D-01, -2.7D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.449622 1 O s 3 0.792593 1 O px 2 -0.677790 1 O s 7 -0.546682 1 O px 16 -0.493981 2 H s 13 -0.302495 1 O dyy 10 -0.298219 1 O dxx 15 -0.195228 1 O dzz 8 -0.185837 1 O py Vector 11 Occ=0.000000D+00 E= 1.164139D+00 Symmetry=a" MO Center= -1.5D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039435 1 O pz 5 0.958398 1 O pz Vector 12 Occ=0.000000D+00 E= 1.353339D+00 Symmetry=a' MO Center= -1.1D-01, -2.6D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.399036 1 O py 4 -0.997672 1 O py 17 0.950056 2 H s 6 -0.649210 1 O s 19 -0.475399 3 H s 2 0.266473 1 O s 16 -0.165405 2 H s Vector 13 Occ=0.000000D+00 E= 1.474559D+00 Symmetry=a' MO Center= 3.1D-01, -5.8D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 2.898876 1 O s 7 1.261231 1 O px 2 -1.186124 1 O s 17 -0.768237 2 H s 3 -0.586509 1 O px 13 -0.580103 1 O dyy 18 -0.487516 3 H s 10 -0.417044 1 O dxx 16 -0.414339 2 H s 19 -0.299744 3 H s Vector 14 Occ=0.000000D+00 E= 2.024942D+00 Symmetry=a' MO Center= -1.9D-01, -8.2D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.943316 1 O dxx 13 -0.750422 1 O dyy 11 0.173253 1 O dxy 15 -0.161338 1 O dzz Vector 15 Occ=0.000000D+00 E= 2.056270D+00 Symmetry=a" MO Center= -1.6D-01, -7.2D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.430678 1 O dyz 12 -0.975453 1 O dxz center of mass -------------- x = -0.13725841 y = -0.13300309 z = 0.00000000 moments of inertia (a.u.) ------------------ 4.705076885891 -0.808286952296 0.000000000000 -0.808286952296 3.363932082644 0.000000000000 0.000000000000 0.000000000000 8.069008968534 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.80 2.00 0.92 2.78 0.97 2.07 0.06 2 H 1 0.56 0.46 0.10 3 H 1 0.63 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 1 1 0 0 0.961859 0.000000 -0.166977 1 0 1 0 0.066368 0.000000 -1.118845 1 0 0 1 0.000000 0.000000 0.000000 Sending upstream hdr.cmd = CMD_STDOUT 2 2 0 0 -4.281252 0.000000 3.010583 2 1 1 0 0.076820 0.000000 0.762884 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.268685 0.000000 4.783600 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.549358 0.000000 0.000000 Line search: step= 0.96 grad=-8.5D-02 hess= 5.0D-02 energy= -75.968593 mode=downhill new step= 0.85 predicted energy= -75.969276 -------- Step 2 -------- Geometry "geometry" -> "h2o_cart" --------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- Sending upstream hdr.cmd = CMD_STDOUT 1 O 8.0000 -0.15396127 -0.09149684 0.00000000 2 H 1.0000 0.52966745 -0.74093866 0.00000000 3 H 1.0000 0.61177304 0.83243550 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.3533509639 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.1705471262 -1.2103276857 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 20.8s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 20.9s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9679909858 4.22D-02 1.73D-02 19.6 2 -75.9681215091 9.26D-04 5.23D-04 19.8 3 -75.9681216299 6.38D-06 2.97D-06 20.0 Final RHF results ------------------ Total SCF energy = -75.968121629938 One-electron energy = -121.436189928868 Two-electron energy = 37.114717335026 Nuclear repulsion energy = 8.353350963904 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5864 2 -1.3119 3 -0.6469 4 -0.5593 5 -0.4988 6 0.1650 7 0.2767 8 0.9218 9 1.1087 10 1.1457 11 1.1639 12 1.3569 13 1.4795 14 2.0207 15 2.0537 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.311897D+00 Symmetry=a' MO Center= 1.8D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.479139 1 O s 6 0.467141 1 O s 1 -0.211933 1 O s Vector 3 Occ=2.000000D+00 E=-6.469396D-01 Symmetry=a' MO Center= 1.6D-02, -6.7D-02, 0.0D+00, r^2= 8.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.449228 1 O py 8 0.287969 1 O py 16 -0.260301 2 H s 3 -0.254658 1 O px 6 0.205186 1 O s Vector 4 Occ=2.000000D+00 E=-5.593294D-01 Symmetry=a' MO Center= -4.5D-02, 6.3D-02, 0.0D+00, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.466467 1 O px 7 0.350594 1 O px 6 -0.258032 1 O s 18 0.220568 3 H s 4 0.207197 1 O py 19 0.204562 3 H s 8 0.159295 1 O py Vector 5 Occ=2.000000D+00 E=-4.988100D-01 Symmetry=a" MO Center= -1.4D-01, -9.5D-02, 0.0D+00, r^2= 5.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.646030 1 O pz 9 0.504620 1 O pz Vector 6 Occ=0.000000D+00 E= 1.650143D-01 Symmetry=a' MO Center= 6.3D-01, 5.1D-01, 0.0D+00, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.088663 3 H s 6 -0.971644 1 O s 17 0.538062 2 H s 7 -0.487569 1 O px 8 -0.281269 1 O py 3 -0.254820 1 O px 4 -0.187211 1 O py Vector 7 Occ=0.000000D+00 E= 2.766621D-01 Symmetry=a' MO Center= 6.8D-01, -6.7D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.663824 2 H s 6 -0.742203 1 O s 19 -0.703710 3 H s 8 0.680216 1 O py 4 0.313622 1 O py 7 -0.265004 1 O px Vector 8 Occ=0.000000D+00 E= 9.218354D-01 Symmetry=a' MO Center= 4.6D-01, 6.7D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.161321 3 H s 18 1.083729 3 H s 6 0.551648 1 O s 16 -0.403232 2 H s 17 0.325261 2 H s 11 0.271957 1 O dxy 7 0.225222 1 O px 2 -0.207231 1 O s 3 -0.176328 1 O px Vector 9 Occ=0.000000D+00 E= 1.108685D+00 Symmetry=a' MO Center= -7.1D-02, -2.8D-02, 0.0D+00, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.754324 1 O s 2 -0.966055 1 O s 16 0.842267 2 H s 17 -0.618474 2 H s 19 -0.454307 3 H s 7 -0.443842 1 O px 8 0.422076 1 O py 15 -0.397856 1 O dzz 18 0.283735 3 H s 10 -0.281648 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.145724D+00 Symmetry=a' MO Center= -2.6D-01, -3.8D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.069922 1 O s 3 0.783788 1 O px 16 -0.702972 2 H s 2 -0.457885 1 O s 7 -0.455192 1 O px 8 -0.326763 1 O py 13 -0.247599 1 O dyy 10 -0.240385 1 O dxx 17 0.228862 2 H s 18 -0.180720 3 H s Vector 11 Occ=0.000000D+00 E= 1.163871D+00 Symmetry=a" MO Center= -1.5D-01, -9.1D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.039389 1 O pz 5 0.958460 1 O pz Vector 12 Occ=0.000000D+00 E= 1.356878D+00 Symmetry=a' MO Center= -8.5D-02, -2.9D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.378546 1 O py 17 1.003931 2 H s 4 -0.993536 1 O py 6 -0.719083 1 O s 19 -0.471389 3 H s 2 0.300556 1 O s 16 -0.212240 2 H s 7 -0.165571 1 O px MO Center= 3.0D-01, -6.2D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function Sending upstream hdr.cmd = CMD_STDOUT 6 2.933045 1 O s 7 1.273738 1 O px 2 -1.189374 1 O s 17 -0.797761 2 H s Sending upstream hdr.cmd = CMD_STDOUT 18 -0.499735 3 H s 10 -0.425880 1 O dxx Sending upstream hdr.cmd = CMD_STDOUT 16 -0.424947 2 H s 19 -0.286794 3 H s Vector 14 Occ=0.000000D+00 E= 2.020671D+00 Symmetry=a' MO Center= -1.9D-01, -8.8D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.931892 1 O dxx 13 -0.766349 1 O dyy 11 0.198589 1 O dxy Vector 15 Occ=0.000000D+00 E= 2.053661D+00 Symmetry=a" MO Center= -1.6D-01, -7.9D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.379913 1 O dyz 12 -1.045906 1 O dxz center of mass -------------- x = -0.13768281 y = -0.14387816 z = 0.00000000 moments of inertia (a.u.) ------------------ 4.575093135563 -0.868252381675 0.000000000000 -0.868252381675 3.369211451286 0.000000000000 0.000000000000 0.000000000000 7.944304586849 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.80 2.00 0.92 2.79 0.97 2.06 0.07 2 H 1 0.56 0.47 0.09 3 H 1 0.64 0.37 0.26 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 1 1 0 0 0.965609 0.000000 -0.170547 1 0 1 0 0.073415 0.000000 -1.210328 Sending upstream hdr.cmd = CMD_STDOUT 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.260437 0.000000 3.015573 2 1 1 0 0.081491 0.000000 0.819582 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.318790 0.000000 4.674210 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.535725 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.290945 -0.172904 0.000000 -0.090765 -0.108572 0.000000 2 H 1.000926 -1.400171 0.000000 0.001400 0.018016 0.000000 3 H 1.156083 1.573075 0.000000 0.089365 0.090556 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- @ 2 -75.96812163 -3.5D-02 0.01323 0.01008 0.09366 0.22504 21.5 Internal coordinate gradient before constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.12675 2 Stretch 1 2 0.94293 -0.01139 3 Bend 2 1 3 93.87978 -0.01323 Internal coordinate gradient after constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.00000 2 Stretch 1 2 0.94293 -0.01139 3 Bend 2 1 3 93.87978 -0.01323 Restricting large step in mode 1 eval= 4.0D-02 step= 3.2D-01 new= 3.0D-01 Restricting overall step due to large component. alpha= 1.00 ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 Sending upstream hdr.cmd = CMD_STDOUT open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 21.5s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 21.5s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Sending upstream hdr.cmd = CMD_STDOUT Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9687918827 1.10D-01 4.84D-02 20.2 2 -75.9696876640 6.33D-03 2.76D-03 20.3 3 -75.9696923805 3.58D-05 1.67D-05 20.6 Final RHF results ------------------ Total SCF energy = -75.969692380481 One-electron energy = -121.424079778692 Two-electron energy = 37.129780944927 Nuclear repulsion energy = 8.324606453284 Time for solution = 0.4s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5809 2 -1.3047 3 -0.6565 4 -0.5455 5 -0.4946 6 0.1660 7 0.2791 8 0.9364 9 1.1031 10 1.1471 11 1.1670 12 1.3668 13 1.4387 14 2.0392 15 2.0524 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304711D+00 Symmetry=a' MO Center= 4.2D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480315 1 O s 6 0.469047 1 O s 1 -0.212560 1 O s Vector 3 Occ=2.000000D+00 E=-6.565195D-01 Symmetry=a' MO Center= 7.4D-02, -3.6D-02, 0.0D+00, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.467266 1 O py 8 0.300337 1 O py 16 -0.254054 2 H s 3 -0.192938 1 O px 6 0.173378 1 O s 18 0.162249 3 H s Vector 4 Occ=2.000000D+00 E=-5.455470D-01 Symmetry=a' Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.506436 1 O px 7 0.382432 1 O px Sending upstream hdr.cmd = CMD_STDOUT 6 -0.265203 1 O s 18 0.199128 3 H s 19 0.186655 3 H s Vector 5 Occ=2.000000D+00 E=-4.945689D-01 Symmetry=a" MO Center= -9.6D-02, -8.9D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.644663 1 O pz 9 0.506162 1 O pz Vector 6 Occ=0.000000D+00 E= 1.660135D-01 Symmetry=a' MO Center= 6.1D-01, 5.4D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.094922 3 H s 6 0.999035 1 O s 17 -0.557521 2 H s 7 0.467578 1 O px 8 0.268908 1 O py 3 0.248138 1 O px 4 0.177251 1 O py Vector 7 Occ=0.000000D+00 E= 2.790684D-01 Symmetry=a' MO Center= 6.6D-01, -7.1D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.643057 2 H s 6 -0.731318 1 O s 8 0.712570 1 O py 19 -0.687244 3 H s 4 0.316203 1 O py 7 -0.230413 1 O px Vector 8 Occ=0.000000D+00 E= 9.363739D-01 Symmetry=a' MO Center= 4.9D-01, 7.9D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.164884 3 H s 18 1.134279 3 H s 6 0.567193 1 O s 11 0.261848 1 O dxy 16 -0.256599 2 H s 2 -0.230747 1 O s 17 0.215971 2 H s 3 -0.189717 1 O px 4 -0.176624 1 O py 7 0.168464 1 O px Vector 9 Occ=0.000000D+00 E= 1.103078D+00 Symmetry=a' MO Center= 1.4D-01, -2.4D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.139236 1 O s 16 1.073116 2 H s 2 -0.692119 1 O s 17 -0.647528 2 H s 8 0.509228 1 O py 7 -0.399302 1 O px 19 -0.341117 3 H s 15 -0.311942 1 O dzz 18 0.216464 3 H s 11 -0.209050 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.147096D+00 Symmetry=a' MO Center= -4.6D-01, -2.7D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.544288 1 O s 3 0.782738 1 O px 2 -0.710277 1 O s 7 -0.556052 1 O px 16 -0.481419 2 H s 13 -0.320462 1 O dyy 10 -0.289409 1 O dxx 15 -0.209980 1 O dzz 8 -0.182890 1 O py Vector 11 Occ=0.000000D+00 E= 1.166978D+00 Symmetry=a" MO Center= -1.1D-01, -8.5D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038712 1 O pz 5 0.959377 1 O pz Sending upstream hdr.cmd = CMD_STDOUT Vector 12 Occ=0.000000D+00 E= 1.366837D+00 Symmetry=a' MO Center= -9.0D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.432465 1 O py 4 -1.006147 1 O py 17 0.929441 2 H s 6 -0.548609 1 O s 19 -0.472647 3 H s 2 0.222848 1 O s 16 -0.170733 2 H s Vector 13 Occ=0.000000D+00 E= 1.438708D+00 Symmetry=a' MO Center= 4.0D-01, -1.0D-01, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.075964 1 O s 2 -1.274525 1 O s 7 1.183833 1 O px 17 -0.890274 2 H s 13 -0.606993 1 O dyy 3 -0.593905 1 O px 18 -0.405835 3 H s 10 -0.382994 1 O dxx 19 -0.335170 3 H s 16 -0.306683 2 H s Vector 14 Occ=0.000000D+00 E= 2.039193D+00 Symmetry=a' MO Center= -1.5D-01, -8.1D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.996461 1 O dxx 13 -0.625397 1 O dyy 15 -0.320415 1 O dzz 6 -0.166608 1 O s Vector 15 Occ=0.000000D+00 E= 2.052447D+00 Symmetry=a" MO Center= -1.2D-01, -7.4D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.581093 1 O dyz 12 -0.706434 1 O dxz center of mass -------------- x = -0.07289151 y = -0.13394497 z = 0.00000000 moments of inertia (a.u.) ------------------ 5.202024723729 -0.811136840688 0.000000000000 -0.811136840688 2.823153157191 0.000000000000 0.000000000000 0.000000000000 8.025177880920 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.82 2.00 0.91 2.80 0.96 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 1 1 0 0 0.908444 0.000000 0.374488 1 0 1 0 0.077017 0.000000 -1.126768 Sending upstream hdr.cmd = CMD_STDOUT 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.363343 0.000000 2.538821 2 1 1 0 0.102705 0.000000 0.709359 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -2.947519 0.000000 5.278325 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.535796 0.000000 0.000000 Line search: step= 1.00 grad=-4.0D-03 hess= 2.4D-03 energy= -75.969692 mode=downhill new step= 0.82 predicted energy= -75.969768 -------- Step 3 -------- Geometry "geometry" -> "h2o_cart" --------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.12026064 -0.08617986 0.00000000 2 H 1.0000 0.50999166 -0.78913042 0.00000000 3 H 1.0000 0.59774821 0.87531028 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.3293341461 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2752474834 -1.1399942493 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 22.0s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 22.1s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9697325850 1.90D-02 9.36D-03 20.7 2 -75.9697591412 3.35D-04 1.31D-04 20.9 3 -75.9697591561 2.64D-06 1.37D-06 21.1 Final RHF results ------------------ Total SCF energy = -75.969759156107 One-electron energy = -121.425722212099 Two-electron energy = 37.126628909901 Nuclear repulsion energy = 8.329334146091 Time for solution = 0.5s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5820 2 -1.3060 3 -0.6548 4 -0.5481 5 -0.4954 6 0.1660 7 0.2786 8 0.9341 9 1.1044 10 1.1464 11 1.1664 12 1.3649 13 1.4460 14 2.0353 15 2.0528 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.305970D+00 Symmetry=a' MO Center= 3.8D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480151 1 O s 6 0.468758 1 O s 1 -0.212464 1 O s Vector 3 Occ=2.000000D+00 E=-6.548178D-01 Symmetry=a' MO Center= 6.5D-02, -4.1D-02, 0.0D+00, r^2= 8.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.465173 1 O py 8 0.298898 1 O py 16 -0.255032 2 H s 3 -0.202340 1 O px 6 0.177975 1 O s 18 0.158426 3 H s Vector 4 Occ=2.000000D+00 E=-5.481260D-01 Symmetry=a' MO Center= -5.0D-02, 4.6D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.500813 1 O px 7 0.377650 1 O px 6 -0.264804 1 O s 18 0.202569 3 H s 19 0.189346 3 H s 4 0.154255 1 O py Vector 5 Occ=2.000000D+00 E=-4.953605D-01 Symmetry=a" MO Center= -1.0D-01, -9.0D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.644925 1 O pz 9 0.505868 1 O pz Vector 6 Occ=0.000000D+00 E= 1.660327D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.094304 3 H s 6 -0.994523 1 O s 17 0.554377 2 H s 7 -0.471471 1 O px 8 -0.271247 1 O py 3 -0.249369 1 O px 4 -0.179100 1 O py Vector 7 Occ=0.000000D+00 E= 2.786198D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.646030 2 H s 6 -0.733434 1 O s 8 0.706926 1 O py 19 -0.688848 3 H s 4 0.315888 1 O py 7 -0.236674 1 O px Vector 8 Occ=0.000000D+00 E= 9.341070D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.162952 3 H s 18 1.124859 3 H s 6 0.565562 1 O s 16 -0.290376 2 H s 11 0.265242 1 O dxy 17 0.238092 2 H s 2 -0.226147 1 O s 3 -0.187189 1 O px 7 0.180675 1 O px 4 -0.171584 1 O py Vector 9 Occ=0.000000D+00 E= 1.104371D+00 Symmetry=a' MO Center= 1.2D-01, -2.0D-01, 0.0D+00, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.254553 1 O s 16 1.039850 2 H s 2 -0.744242 1 O s 17 -0.646328 2 H s 8 0.499591 1 O py 7 -0.404464 1 O px 19 -0.373237 3 H s 15 -0.329566 1 O dzz 18 0.239770 3 H s 10 -0.216702 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.146447D+00 Symmetry=a' MO Center= -4.4D-01, -2.9D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.483851 1 O s 3 0.784914 1 O px 2 -0.677302 1 O s 7 -0.540621 1 O px 16 -0.519156 2 H s 13 -0.312535 1 O dyy 10 -0.283361 1 O dxx 8 -0.207595 1 O py 15 -0.195130 1 O dzz Vector 11 Occ=0.000000D+00 E= 1.166395D+00 Symmetry=a" MO Center= -1.2D-01, -8.6D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038843 1 O pz 5 0.959201 1 O pz Vector 12 Occ=0.000000D+00 E= 1.364939D+00 Symmetry=a' MO Center= -8.9D-02, -2.6D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.422868 1 O py 4 -1.004285 1 O py 17 0.947932 2 H s 6 -0.596453 1 O s 19 -0.469624 3 H s 2 0.244350 1 O s 16 -0.178751 2 H s Vector 13 Occ=0.000000D+00 E= 1.446020D+00 Symmetry=a' MO Center= 3.8D-01, -9.2D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.050301 1 O s 2 -1.258954 1 O s 7 1.201032 1 O px 17 -0.868802 2 H s 18 -0.424426 3 H s 10 -0.387427 1 O dxx Sending upstream hdr.cmd = CMD_STDOUT 16 -0.330853 2 H s 19 -0.329273 3 H s Vector 14 Occ=0.000000D+00 E= 2.035347D+00 Symmetry=a' MO Center= -1.6D-01, -8.2D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988838 1 O dxx 13 -0.650409 1 O dyy 15 -0.290145 1 O dzz 6 -0.159964 1 O s Sending upstream hdr.cmd = CMD_STDOUT MO Center= -1.3D-01, -7.5D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.557286 1 O dyz 12 -0.757405 1 O dxz center of mass -------------- x = -0.08468881 y = -0.13551725 z = 0.00000000 moments of inertia (a.u.) ------------------ 5.092101061835 -0.819913868402 0.000000000000 -0.819913868402 2.918920533001 0.000000000000 0.000000000000 0.000000000000 8.011021594836 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.82 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 1 1 0 0 0.918916 0.000000 0.275247 1 0 1 0 0.076016 0.000000 -1.139994 Sending upstream hdr.cmd = CMD_STDOUT 2 2 0 0 -4.345059 0.000000 2.617931 2 1 1 0 0.098318 0.000000 0.727346 Sending upstream hdr.cmd = CMD_STDOUT 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.013210 0.000000 5.172010 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.535674 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.227260 -0.162856 0.000000 -0.073223 -0.110458 0.000000 2 H 0.963744 -1.491240 0.000000 -0.005052 0.005674 0.000000 3 H 1.129580 1.654097 0.000000 0.078275 0.104784 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- @ 3 -75.96975916 -1.6D-03 0.00760 0.00439 0.04728 0.08588 22.7 Internal coordinate gradient before constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.13079 2 Stretch 1 2 0.94412 -0.00760 3 Bend 2 1 3 101.37004 -0.00002 Internal coordinate gradient after constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.00000 2 Stretch 1 2 0.94412 -0.00760 3 Bend 2 1 3 101.37004 -0.00002 NWChem SCF Module ----------------- ao basis = "ao basis" functions = 19 atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 22.7s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 22.7s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Sending upstream hdr.cmd = CMD_STDOUT Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9697932839 9.23D-03 3.64D-03 21.3 2 -75.9697997653 3.53D-05 1.60D-05 21.5 Final RHF results ------------------ Total SCF energy = -75.969799765276 One-electron energy = -121.389649653857 Two-electron energy = 37.110860484427 Nuclear repulsion energy = 8.308989404155 Time for solution = 0.3s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5824 2 -1.3047 3 -0.6536 4 -0.5480 5 -0.4952 6 0.1660 7 0.2777 8 0.9342 9 1.1020 10 1.1451 11 1.1664 12 1.3639 13 1.4459 14 2.0359 15 2.0534 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304720D+00 Symmetry=a' MO Center= 3.6D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480312 1 O s 6 0.469880 1 O s 1 -0.212560 1 O s Vector 3 Occ=2.000000D+00 E=-6.536248D-01 Symmetry=a' MO Center= 6.6D-02, -4.2D-02, 0.0D+00, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.465385 1 O py 8 0.299723 1 O py 16 -0.254739 2 H s 3 -0.200426 1 O px 6 0.175590 1 O s 18 0.158690 3 H s MO Center= -5.0D-02, 4.7D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.501182 1 O px 7 0.377928 1 O px 6 -0.265055 1 O s 18 0.202326 3 H s 19 0.189238 3 H s 4 0.152917 1 O py Sending upstream hdr.cmd = CMD_STDOUT MO Center= -1.0D-01, -8.9D-02, 0.0D+00, r^2= 6.0D-01 Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.644982 1 O pz 9 0.505811 1 O pz Vector 6 Occ=0.000000D+00 E= 1.659539D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.092593 3 H s 6 0.994089 1 O s 17 -0.557032 2 H s 7 0.472810 1 O px 8 0.268507 1 O py 3 0.250418 1 O px 4 0.177366 1 O py Vector 7 Occ=0.000000D+00 E= 2.777499D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.636117 2 H s 6 -0.722362 1 O s 8 0.707243 1 O py 19 -0.690747 3 H s 4 0.317449 1 O py 7 -0.234557 1 O px Vector 8 Occ=0.000000D+00 E= 9.342491D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163075 3 H s 18 1.124561 3 H s 6 0.562778 1 O s 16 -0.292488 2 H s 11 0.266274 1 O dxy 17 0.242583 2 H s 2 -0.225498 1 O s 3 -0.186411 1 O px 7 0.178848 1 O px 4 -0.171919 1 O py Vector 9 Occ=0.000000D+00 E= 1.101954D+00 Symmetry=a' MO Center= 1.5D-01, -2.3D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.207438 1 O s 16 1.059684 2 H s 2 -0.719021 1 O s 17 -0.664566 2 H s 8 0.492495 1 O py 7 -0.374898 1 O px 19 -0.368264 3 H s 15 -0.321916 1 O dzz 18 0.244241 3 H s 10 -0.205564 1 O dxx Vector 10 Occ=0.000000D+00 E= 1.145075D+00 Symmetry=a' MO Center= -4.7D-01, -2.7D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.533714 1 O s 3 0.784998 1 O px 2 -0.709216 1 O s 7 -0.556975 1 O px 16 -0.476293 2 H s 13 -0.318184 1 O dyy 10 -0.292513 1 O dxx 15 -0.209407 1 O dzz 8 -0.179639 1 O py Vector 11 Occ=0.000000D+00 E= 1.166374D+00 Symmetry=a" MO Center= -1.2D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038870 1 O pz 5 0.959164 1 O pz Sending upstream hdr.cmd = CMD_STDOUT Vector 12 Occ=0.000000D+00 E= 1.363888D+00 Symmetry=a' MO Center= -9.5D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.426287 1 O py 4 -1.004282 1 O py 17 0.938979 2 H s 6 -0.590159 1 O s 19 -0.469981 3 H s 2 0.240665 1 O s 16 -0.168108 2 H s Vector 13 Occ=0.000000D+00 E= 1.445873D+00 Symmetry=a' MO Center= 3.8D-01, -8.9D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.036333 1 O s 2 -1.254789 1 O s 7 1.200842 1 O px 17 -0.857599 2 H s 13 -0.604435 1 O dyy 3 -0.592651 1 O px 18 -0.424441 3 H s 10 -0.386947 1 O dxx 16 -0.332664 2 H s 19 -0.331096 3 H s Vector 14 Occ=0.000000D+00 E= 2.035875D+00 Symmetry=a' MO Center= -1.6D-01, -8.1D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988848 1 O dxx 13 -0.650765 1 O dyy 15 -0.289947 1 O dzz 6 -0.158882 1 O s Vector 15 Occ=0.000000D+00 E= 2.053407D+00 Symmetry=a" MO Center= -1.3D-01, -7.4D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.560449 1 O dyz 12 -0.750885 1 O dxz center of mass -------------- x = -0.08640306 y = -0.13321432 z = 0.00000000 moments of inertia (a.u.) ------------------ 5.105586494463 -0.808609033085 0.000000000000 -0.808609033085 2.932653026003 0.000000000000 0.000000000000 0.000000000000 8.038239520466 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.919675 0.000000 0.260827 1 0 1 0 0.074012 0.000000 -1.120622 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.347033 0.000000 2.629395 2 1 1 0 0.096800 0.000000 0.719079 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.011822 0.000000 5.181366 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.538935 0.000000 0.000000 Line search: step= 1.00 grad=-6.0D-05 hess= 2.0D-05 energy= -75.969800 mode=downhill new step= 1.54 predicted energy= -75.969805 -------- Step 4 -------- Geometry "geometry" -> "h2o_cart" Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- Sending upstream hdr.cmd = CMD_STDOUT 1 O 8.0000 -0.12193754 -0.08392564 0.00000000 2 H 1.0000 0.51175770 -0.79245114 0.00000000 Atomic Mass ----------- Sending upstream hdr.cmd = CMD_STDOUT O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.2980945523 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2530653561 -1.1101751952 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 ----------------- ao basis = "ao basis" functions = 19 atoms = 3 Sending upstream hdr.cmd = CMD_STDOUT closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 23.1s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 23.1s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9698038142 4.94D-03 1.95D-03 21.7 2 -75.9698056823 1.94D-05 8.89D-06 21.9 Final RHF results ------------------ Total SCF energy = -75.969805682292 One-electron energy = -121.370305839914 Two-electron energy = 37.102405605300 Nuclear repulsion energy = 8.298094552322 Time for solution = 0.3s Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5827 2 -1.3041 3 -0.6530 4 -0.5479 5 -0.4952 6 0.1659 7 0.2773 8 0.9343 9 1.1006 10 1.1444 11 1.1664 12 1.3633 13 1.4458 14 2.0362 15 2.0537 ROHF Final Molecular Orbital Analysis ------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT Vector 2 Occ=2.000000D+00 E=-1.304053D+00 Symmetry=a' MO Center= 3.5D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480398 1 O s 6 0.470479 1 O s 1 -0.212611 1 O s Vector 3 Occ=2.000000D+00 E=-6.529837D-01 Symmetry=a' MO Center= 6.6D-02, -4.2D-02, 0.0D+00, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.465508 1 O py 8 0.300170 1 O py 16 -0.254575 2 H s 3 -0.199374 1 O px 6 0.174300 1 O s 18 0.158838 3 H s Vector 4 Occ=2.000000D+00 E=-5.478566D-01 Symmetry=a' MO Center= -5.1D-02, 4.7D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.501380 1 O px 7 0.378081 1 O px 6 -0.265200 1 O s 18 0.202191 3 H s 19 0.189176 3 H s 4 0.152182 1 O py Vector 5 Occ=2.000000D+00 E=-4.951808D-01 Symmetry=a" MO Center= -1.0D-01, -8.8D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT Vector 6 Occ=0.000000D+00 E= 1.659101D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.091651 3 H s 6 0.993850 1 O s 17 -0.558479 2 H s 7 0.473534 1 O px 8 0.267015 1 O py 3 0.250988 1 O px 4 0.176420 1 O py Vector 7 Occ=0.000000D+00 E= 2.772771D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.630771 2 H s 6 -0.716391 1 O s 8 0.707406 1 O py 19 -0.691800 3 H s 4 0.318288 1 O py 7 -0.233398 1 O px Vector 8 Occ=0.000000D+00 E= 9.343249D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163132 3 H s 18 1.124392 3 H s 6 0.561258 1 O s 16 -0.293657 2 H s 11 0.266831 1 O dxy 17 0.245027 2 H s 2 -0.225134 1 O s 3 -0.185986 1 O px 7 0.177863 1 O px 4 -0.172105 1 O py Vector 9 Occ=0.000000D+00 E= 1.100590D+00 Symmetry=a' MO Center= 1.7D-01, -2.4D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.182682 1 O s 16 1.069117 2 H s 2 -0.705567 1 O s 17 -0.673901 2 H s 8 0.488035 1 O py 19 -0.365442 3 H s 7 -0.359315 1 O px 15 -0.317745 1 O dzz 18 0.246513 3 H s 11 -0.202553 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.144401D+00 Symmetry=a' MO Center= -4.8D-01, -2.5D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT 2 -0.725315 1 O s 7 -0.564773 1 O px 16 -0.453962 2 H s 13 -0.320914 1 O dyy 10 -0.297062 1 O dxx 15 -0.216652 1 O dzz 8 -0.165578 1 O py Vector 11 Occ=0.000000D+00 E= 1.166363D+00 Symmetry=a" MO Center= -1.2D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038886 1 O pz 5 0.959143 1 O pz Vector 12 Occ=0.000000D+00 E= 1.363342D+00 Symmetry=a' MO Center= -9.8D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.427991 1 O py 4 -1.004253 1 O py 17 0.934087 2 H s 6 -0.586524 1 O s 19 -0.470151 3 H s 2 0.238616 1 O s 16 -0.162524 2 H s Vector 13 Occ=0.000000D+00 E= 1.445797D+00 Symmetry=a' MO Center= 3.8D-01, -8.7D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.028879 1 O s 2 -1.252572 1 O s 7 1.200735 1 O px 17 -0.851653 2 H s 13 -0.604096 1 O dyy 3 -0.593661 1 O px 18 -0.424436 3 H s 10 -0.386691 1 O dxx 16 -0.333608 2 H s 19 -0.332052 3 H s Vector 14 Occ=0.000000D+00 E= 2.036160D+00 Symmetry=a' MO Center= -1.6D-01, -8.0D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988852 1 O dxx 13 -0.650958 1 O dyy 15 -0.289839 1 O dzz 6 -0.158301 1 O s Vector 15 Occ=0.000000D+00 E= 2.053742D+00 Symmetry=a" MO Center= -1.3D-01, -7.3D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.562165 1 O dyz 12 -0.747320 1 O dxz center of mass -------------- x = -0.08732572 y = -0.13197250 z = 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) ------------------ 5.112901371733 -0.802488293214 0.000000000000 -0.802488293214 2.940060222229 0.000000000000 0.000000000000 0.000000000000 8.052961593962 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 0 0 0 0 -0.000000 0.000000 10.000000 1 1 0 0 0.920082 0.000000 0.253065 1 0 1 0 0.072938 0.000000 -1.110175 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.348103 0.000000 2.635597 2 1 1 0 0.095982 0.000000 0.714574 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.011043 0.000000 5.186482 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.540691 0.000000 0.000000 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 1 O -0.230429 -0.158596 0.000000 -0.078282 -0.104688 0.000000 2 H 0.967082 -1.497516 0.000000 -0.000093 0.000040 0.000000 3 H 1.129412 1.656112 0.000000 0.078375 0.104648 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 4 -75.96980568 -4.7D-05 0.00009 0.00006 0.00303 0.00628 23.5 ok ok Internal coordinate gradient before constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.13074 2 Stretch 1 2 0.95057 -0.00009 3 Bend 2 1 3 101.34517 0.00004 Internal coordinate gradient after constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.00000 2 Stretch 1 2 0.95057 -0.00009 3 Bend 2 1 3 101.34517 0.00004 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 Forming initial guess at 23.5s Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Starting SCF solution at 23.6s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Sending upstream hdr.cmd = CMD_STDOUT Maximum no. of iterations : 30 Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -75.9698056979 3.26D-04 1.29D-04 22.1 2 -75.9698057067 7.75D-06 2.98D-06 22.3 Final RHF results ------------------ Total SCF energy = -75.969805706661 One-electron energy = -121.369573619553 Two-electron energy = 37.102030105079 Nuclear repulsion energy = 8.297737807813 Time for solution = 0.2s Symmetry analysis of molecular orbitals - final ----------------------------------------------- Numbering of irreducible representations: 1 a' 2 a" Orbital symmetries: 1 a' 2 a' 3 a' 4 a' 5 a" 6 a' 7 a' 8 a' 9 a' 10 a' 11 a" 12 a' 13 a' 14 a' 15 a" Final eigenvalues ----------------- 1 1 -20.5827 2 -1.3040 3 -0.6529 4 -0.5479 5 -0.4952 6 0.1659 7 0.2773 8 0.9343 9 1.1006 10 1.1444 11 1.1664 12 1.3633 13 1.4459 14 2.0361 15 2.0538 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.304045D+00 Symmetry=a' MO Center= 3.5D-02, -1.5D-01, 0.0D+00, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.480398 1 O s 6 0.470500 1 O s 1 -0.212612 1 O s Vector 3 Occ=2.000000D+00 E=-6.529342D-01 Symmetry=a' MO Center= 6.6D-02, -4.2D-02, 0.0D+00, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.465484 1 O py 8 0.300167 1 O py 16 -0.254583 2 H s 3 -0.199473 1 O px 6 0.174319 1 O s 18 0.158785 3 H s Vector 4 Occ=2.000000D+00 E=-5.478897D-01 Symmetry=a' MO Center= -5.1D-02, 4.8D-02, 0.0D+00, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 0.501301 1 O px 7 0.378016 1 O px 6 -0.265203 1 O s 18 0.202237 3 H s 19 0.189215 3 H s 4 0.152293 1 O py Vector 5 Occ=2.000000D+00 E=-4.951894D-01 Symmetry=a" MO Center= -1.0D-01, -8.8D-02, 0.0D+00, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.645019 1 O pz 9 0.505774 1 O pz Vector 6 Occ=0.000000D+00 E= 1.659083D-01 Symmetry=a' MO Center= 6.1D-01, 5.3D-01, 0.0D+00, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.091606 3 H s 6 0.993771 1 O s 17 -0.558485 2 H s 7 0.473620 1 O px 8 0.266992 1 O py 3 0.251029 1 O px 4 0.176411 1 O py Vector 7 Occ=0.000000D+00 E= 2.772512D-01 Symmetry=a' MO Center= 6.6D-01, -7.0D-01, 0.0D+00, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.630608 2 H s 6 -0.716190 1 O s 8 0.707327 1 O py 19 -0.691865 3 H s 4 0.318313 1 O py 7 -0.233444 1 O px Vector 8 Occ=0.000000D+00 E= 9.342926D-01 Symmetry=a' MO Center= 4.8D-01, 7.7D-01, 0.0D+00, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 -1.163107 3 H s 18 1.124243 3 H s 6 0.561157 1 O s 16 -0.294181 2 H s 11 0.266898 1 O dxy 17 0.245453 2 H s 2 -0.225050 1 O s 3 -0.185928 1 O px 7 0.177990 1 O px 4 -0.172036 1 O py Vector 9 Occ=0.000000D+00 E= 1.100558D+00 Symmetry=a' MO Center= 1.7D-01, -2.4D-01, 0.0D+00, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.183368 1 O s 16 1.069018 2 H s 2 -0.705792 1 O s 17 -0.674249 2 H s 8 0.487731 1 O py 19 -0.365792 3 H s 7 -0.358776 1 O px 15 -0.317837 1 O dzz 18 0.246932 3 H s 11 -0.202449 1 O dxy Vector 10 Occ=0.000000D+00 E= 1.144365D+00 Symmetry=a' MO Center= -4.8D-01, -2.5D-01, 0.0D+00, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 1.559017 1 O s 3 0.784460 1 O px 2 -0.725497 1 O s 7 -0.564863 1 O px 16 -0.453631 2 H s 13 -0.320916 1 O dyy 10 -0.297162 1 O dxx 15 -0.216732 1 O dzz 8 -0.165370 1 O py Vector 11 Occ=0.000000D+00 E= 1.166354D+00 Symmetry=a" MO Center= -1.2D-01, -8.4D-02, 0.0D+00, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 -1.038888 1 O pz 5 0.959140 1 O pz Vector 12 Occ=0.000000D+00 E= 1.363292D+00 Symmetry=a' MO Center= -9.9D-02, -2.5D-01, 0.0D+00, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.427916 1 O py 4 -1.004226 1 O py 17 0.934120 2 H s 6 -0.586939 1 O s 19 -0.470133 3 H s 2 0.238788 1 O s 16 -0.162423 2 H s Vector 13 Occ=0.000000D+00 E= 1.445903D+00 Symmetry=a' MO Center= 3.8D-01, -8.7D-02, 0.0D+00, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 3.028222 1 O s 2 -1.252264 1 O s 7 1.200977 1 O px 17 -0.851144 2 H s 13 -0.604042 1 O dyy 3 -0.593656 1 O px 18 -0.424700 3 H s 10 -0.386758 1 O dxx 16 -0.333980 2 H s 19 -0.331983 3 H s Vector 14 Occ=0.000000D+00 E= 2.036116D+00 Symmetry=a' MO Center= -1.6D-01, -8.0D-02, 0.0D+00, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.988730 1 O dxx 13 -0.651333 1 O dyy 15 -0.289383 1 O dzz 6 -0.158166 1 O s Vector 15 Occ=0.000000D+00 E= 2.053760D+00 Symmetry=a" MO Center= -1.3D-01, -7.3D-02, 0.0D+00, r^2= 6.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.561857 1 O dyz 12 -0.747962 1 O dxz center of mass -------------- x = -0.08753486 y = -0.13194701 z = 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) ------------------ 5.111558130010 -0.802376778568 0.000000000000 -0.802376778568 2.941772597730 0.000000000000 0.000000000000 0.000000000000 8.053330727740 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 O 8 8.81 2.00 0.91 2.80 0.97 2.08 0.06 2 H 1 0.56 0.47 0.09 3 H 1 0.62 0.37 0.25 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- Sending upstream hdr.cmd = CMD_STDOUT 1 1 0 0 0.920256 0.000000 0.251306 1 0 1 0 0.072881 0.000000 -1.109961 Sending upstream hdr.cmd = CMD_STDOUT 1 0 0 1 0.000000 0.000000 0.000000 2 2 0 0 -4.347879 0.000000 2.637037 2 1 1 0 0.095883 0.000000 0.714658 2 1 0 1 0.000000 0.000000 0.000000 2 0 2 0 -3.011969 0.000000 5.185106 2 0 1 1 0.000000 0.000000 0.000000 2 0 0 2 -5.540762 0.000000 0.000000 Line search: step= 1.00 grad=-4.7D-08 hess= 2.3D-08 energy= -75.969806 mode=accept new step= 1.00 predicted energy= -75.969806 -------- Step 5 -------- Geometry "geometry" -> "h2o_cart" --------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.12207054 -0.08390943 0.00000000 2 H 1.0000 0.51184640 -0.79235068 0.00000000 3 H 1.0000 0.59770337 0.87626010 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.2977378078 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2513060254 -1.1099607586 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 ----------------- ao basis = "ao basis" functions = 19 Sending upstream hdr.cmd = CMD_STDOUT atoms = 3 closed shells = 5 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = ./h2o_opt_dat.movecs output vectors = ./h2o_opt_dat.movecs use symmetry = T symmetry adapt = T Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G* 6 15 3s2p1d H 6-31G* 2 2 2s Symmetry analysis of basis -------------------------- a' 15 a" 4 The SCF is already converged Total SCF energy = -75.969805706661 NWChem Gradients Module ----------------------- wavefunction = RHF Using symmetry RHF ENERGY GRADIENTS atom coordinates gradient x y z x y z 2 H 0.967249 -1.497326 0.000000 -0.000002 -0.000000 0.000000 3 H 1.129496 1.655891 0.000000 0.078413 0.104604 0.000000 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | Sending upstream hdr.cmd = CMD_STDOUT | CPU | 0.00 | 0.02 | ---------------------------------------- | WALL | 0.00 | 0.02 | Sending upstream hdr.cmd = CMD_STDOUT ---------------------------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- Sending upstream hdr.cmd = CMD_STDOUT @ 5 -75.96980571 -2.4D-08 0.00000 0.00000 0.00014 0.00025 23.9 ok ok ok ok Internal coordinate gradient before constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.13073 2 Stretch 1 2 0.95065 -0.00000 3 Bend 2 1 3 101.32125 0.00000 Internal coordinate gradient after constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.00000 2 Stretch 1 2 0.95065 -0.00000 3 Bend 2 1 3 101.32125 0.00000 ---------------------- Optimization converged ---------------------- Step Energy Delta E Gmax Grms Xrms Xmax Walltime ---- ---------------- -------- -------- -------- -------- -------- -------- @ 5 -75.96980571 -2.4D-08 0.00000 0.00000 0.00014 0.00025 23.9 ok ok ok ok Internal coordinate gradient before constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.13073 2 Stretch 1 2 0.95065 -0.00000 3 Bend 2 1 3 101.32125 0.00000 Internal coordinate gradient after constraints Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1*Stretch r 1 3 1.20000 0.00000 2 Stretch 1 2 0.95065 -0.00000 3 Bend 2 1 3 101.32125 0.00000 Geometry "geometry" -> "h2o_cart" --------------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 -0.12207054 -0.08390943 0.00000000 2 H 1.0000 0.51184640 -0.79235068 0.00000000 3 H 1.0000 0.59770337 0.87626010 0.00000000 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 8.2977378078 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.2513060254 -1.1099607586 0.0000000000 Symmetry information -------------------- Group name Cs Group number 2 Group order 2 No. of unique centers 3 Symmetry unique atoms 1 2 3 Final and change from initial internal coordinates -------------------------------------------------- Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Constants are marked with an asterisk (*). Type Name I J K L M Value Change ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- Sending upstream hdr.cmd = CMD_STDOUT 1*Stretch r 1 3 1.20000 -0.00000 2 Stretch 1 2 0.95065 -0.24935 3 Bend 2 1 3 101.32125 -6.67875 ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 H | 1 O | 1.79647 | 0.95065 ------------------------------------------------------------------------------ number of included internuclear distances: 1 ============================================================================== Task times cpu: 5.7s wall: 6.1s Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- Summary of allocated global arrays ----------------------------------- No active global arrays MA_summarize_allocated_blocks: starting scan ... 0 heap blocks, 0 stack blocks MA usage statistics: allocation statistics: heap stack ---- ----- current number of blocks 0 0 maximum number of blocks 20 29 current total bytes 0 0 maximum total bytes 80104 22509448 maximum total K-bytes 81 22510 maximum total M-bytes 1 23 CITATION -------- Please cite the following reference when publishing results obtained with NWChem: E. Apra, E. J. Bylaska, W. A. de Jong, N. Govind, K. Kowalski, T. P. Straatsma, M. Valiev, H. J. J. van Dam, Y. Alexeev, J. Anchell, V. Anisimov, F. W. Aquino, R. Atta-Fynn, J. Autschbach, N. P. Bauman, J. C. Becca, D. E. Bernholdt, K. Bhaskaran-Nair, S. Bogatko, P. Borowski, J. Boschen, J. Brabec, A. Bruner, E. Cauet, Y. Chen, G. N. Chuev, C. J. Cramer, J. Daily, M. J. O. Deegan, T. H. Dunning Jr., M. Dupuis, K. G. Dyall, G. I. Fann, S. A. Fischer, A. Fonari, H. Fruchtl, L. Gagliardi, J. Garza, N. Gawande, S. Ghosh, K. Glaesemann, A. W. Gotz, J. Hammond, V. Helms, E. D. Hermes, K. Hirao, S. Hirata, M. Jacquelin, L. Jensen, B. G. Johnson, H. Jonsson, R. A. Kendall, M. Klemm, R. Kobayashi, V. Konkov, S. Krishnamoorthy, M. Krishnan, Z. Lin, R. D. Lins, R. J. Littlefield, A. J. Logsdail, K. Lopata, W. Ma, A. V. Marenich, J. Martin del Campo, D. Mejia-Rodriguez, J. E. Moore, J. M. Mullin, T. Nakajima, D. R. Nascimento, J. A. Nichols, P. J. Nichols, J. Nieplocha, A. Otero-de-la-Roza, B. Palmer, A. Panyala, T. Pirojsirikul, B. Peng, R. Peverati, J. Pittner, L. Pollack, R. M. Richard, P. Sadayappan, G. C. Schatz, W. A. Shelton, D. W. Silverstein, D. M. A. Smith, T. A. Soares, D. Song, M. Swart, H. L. Taylor, G. S. Thomas, V. Tipparaju, D. G. Truhlar, K. Tsemekhman, T. Van Voorhis, A. Vazquez-Mayagoitia, P. Verma, O. Villa, A. Vishnu, K. D. Vogiatzis, D. Wang, J. H. Weare, M. J. Williamson, T. L. Windus, K. Wolinski, A. T. Wong, Q. Wu, C. Yang, Q. Yu, M. Zacharias, Z. Zhang, Y. Zhao, and R. J. Harrison "NWChem: Past, present, and future J. Chem. Phys. 152, 184102 (2020) doi:10.1063/5.0004997 AUTHORS ------- E. Apra, E. J. Bylaska, N. Govind, K. Kowalski, M. Valiev, D. Mejia-Rodriguez, A. Kunitsa, N. P. Bauman, A. Panyala, W. A. de Jong, T. P. Straatsma, H. J. J. van Dam, D. Wang, T. L. Windus, J. Hammond, J. Autschbach, A. Woods, K. Bhaskaran-Nair, J. Brabec, K. Lopata, S. A. Fischer, S. Krishnamoorthy, M. Jacquelin, W. Ma, M. Klemm, O. Villa, Y. Chen, V. Anisimov, F. Aquino, S. Hirata, M. T. Hackler, E. Hermes, L. Jensen, J. E. Moore, J. C. Becca, V. Konjkov, T. Risthaus, M. Malagoli, A. Marenich, A. Otero-de-la-Roza, J. Mullin, P. Nichols, R. Peverati, J. Pittner, Y. Zhao, P.-D. Fan, A. Fonari, M. J. Williamson, R. J. Harrison, J. R. Rehr, M. Dupuis, D. Silverstein, D. M. A. Smith, J. Nieplocha, V. Tipparaju, M. Krishnan, B. E. Van Kuiken, A. Vazquez-Mayagoitia, M. Swart, Q. Wu, T. Van Voorhis, A. A. Auer, M. Nooijen, L. D. Crosby, E. Brown, G. Cisneros, G. I. Fann, H. Fruchtl, J. Garza, K. Hirao, R. A. Kendall, J. A. Nichols, K. Tsemekhman, K. Wolinski, J. Anchell, D. E. Bernholdt, P. Borowski, T. Clark, D. Clerc, H. Dachsel, M. J. O. Deegan, K. Dyall, D. Elwood, E. Glendening, M. Gutowski, A. C. Hess, J. Jaffe, B. G. Johnson, J. Ju, R. Kobayashi, R. Kutteh, Z. Lin, R. Littlefield, X. Long, B. Meng, T. Nakajima, S. Niu, L. Pollack, M. Rosing, K. Glaesemann, G. Sandrone, M. Stave, H. Taylor, G. Thomas, J. H. van Lenthe, A. T. Wong, Z. Zhang. Total times cpu: 22.4s wall: 24.0s cmd=finalize cmd=finalize_ack rc=0 cmd=finalize cmd=finalize_ack rc=0 ################################################################################ Effective nuclear repulsion energy (a.u.) 7.33 Effective nuclear repulsion energy (a.u.) 7.33 Effective nuclear repulsion energy (a.u.) 7.33 Effective nuclear repulsion energy (a.u.) 7.33 Effective nuclear repulsion energy (a.u.) 7.33 Effective nuclear repulsion energy (a.u.) 7.33 Total SCF energy = -75.92789 Atoms Coordinates: O -0.216 0.000 -0.157 H -0.216 0.000 2.111 H 1.941 0.000 -0.857 Atoms Gradients: O -0.110 0.000 -0.080 H -0.012 0.000 0.131 H 0.121 0.000 -0.052 Total SCF energy = -75.96254 Effective nuclear repulsion energy (a.u.) 9.11 Total SCF energy = -75.93350 Atoms Coordinates: O -0.387 0.000 0.054 H 0.080 0.000 1.520 H 1.817 0.000 -0.477 Atoms Gradients: O -0.081 0.000 0.263 H -0.043 0.000 -0.259 H 0.123 0.000 -0.003 Total SCF energy = -75.96859 Effective nuclear repulsion energy (a.u.) 8.35 Total SCF energy = -75.96812 Atoms Coordinates: O -0.337 0.000 -0.031 H -0.013 0.000 1.721 H 1.860 0.000 -0.593 Atoms Gradients: O -0.137 0.000 0.034 H 0.012 0.000 -0.014 H 0.126 0.000 -0.021 Total SCF energy = -75.96969 Effective nuclear repulsion energy (a.u.) 8.33 Total SCF energy = -75.96976 Atoms Coordinates: O -0.280 0.000 -0.002 H -0.097 0.000 1.773 H 1.886 0.000 -0.674 Atoms Gradients: O -0.124 0.000 0.046 H -0.001 0.000 -0.008 H 0.125 0.000 -0.039 Total SCF energy = -75.96980 Effective nuclear repulsion energy (a.u.) 8.30 Total SCF energy = -75.96981 Atoms Coordinates: O -0.280 0.000 -0.007 H -0.098 0.000 1.780 H 1.887 0.000 -0.676 Atoms Gradients: O -0.125 0.000 0.039 H 0.000 0.000 0.000 H 0.125 0.000 -0.039 Total SCF energy = -75.96981 Effective nuclear repulsion energy (a.u.) 8.30 Total SCF energy = -75.96981 Atoms Coordinates: H -0.098 0.000 1.780 H 1.887 0.000 -0.676 Atoms Gradients: H 0.000 0.000 0.000 H 0.125 0.000 -0.039 Effective nuclear repulsion energy (a.u.) 8.30 Effective nuclear repulsion energy (a.u.) 7.33 Total SCF energy = -75.92789 Atoms Coordinates: O -0.267 0.000 0.000 H 1.066 -1.835 0.000 H 1.066 1.835 0.000 Atoms Gradients: O -0.136 0.000 0.000 H 0.068 -0.113 0.000 H 0.068 0.113 0.000 Total SCF energy = -75.96254 Effective nuclear repulsion energy (a.u.) 9.11 Total SCF energy = -75.93350 Atoms Coordinates: O -0.281 -0.271 0.000 H 0.958 -1.183 0.000 H 1.190 1.454 0.000 Atoms Gradients: O 0.089 -0.260 0.000 H -0.187 0.185 0.000 H 0.098 0.075 0.000 Total SCF energy = -75.96859 Effective nuclear repulsion energy (a.u.) 8.35 Total SCF energy = -75.96812 Atoms Coordinates: O -0.291 -0.173 0.000 H 1.001 -1.400 0.000 H 1.156 1.573 0.000 Atoms Gradients: O -0.091 -0.109 0.000 H 0.001 0.018 0.000 H 0.089 0.091 0.000 Total SCF energy = -75.96969 Effective nuclear repulsion energy (a.u.) 8.33 Total SCF energy = -75.96976 Atoms Coordinates: O -0.227 -0.163 0.000 H 0.964 -1.491 0.000 H 1.130 1.654 0.000 Atoms Gradients: O -0.073 -0.110 0.000 H -0.005 0.006 0.000 H 0.078 0.105 0.000 Total SCF energy = -75.96980 Effective nuclear repulsion energy (a.u.) 8.30 Total SCF energy = -75.96981 Atoms Coordinates: O -0.230 -0.159 0.000 H 0.967 -1.498 0.000 H 1.129 1.656 0.000 Atoms Gradients: O -0.078 -0.105 0.000 H 0.000 0.000 0.000 H 0.078 0.105 0.000 Total SCF energy = -75.96981 Effective nuclear repulsion energy (a.u.) 8.30 Total SCF energy = -75.96981 Atoms Coordinates: O -0.231 -0.159 0.000 H 0.967 -1.497 0.000 H 1.129 1.656 0.000 Atoms Gradients: O -0.078 -0.105 0.000 H 0.000 0.000 0.000 H 0.078 0.105 0.000 Effective nuclear repulsion energy (a.u.) 8.30 Effective nuclear repulsion energy (a.u.) 7.33 Total SCF energy = -75.92789 Atoms Coordinates: O -0.267 0.000 0.000 H 1.066 -1.835 0.000 H1 1.066 1.835 0.000 Atoms Gradients: O -0.136 0.000 0.000 H 0.068 -0.113 0.000 H1 0.068 0.113 0.000 Total SCF energy = -75.96254 Effective nuclear repulsion energy (a.u.) 9.11 Total SCF energy = -75.93351 Atoms Coordinates: O -0.281 -0.271 0.000 H 0.958 -1.183 0.000 H1 1.190 1.454 0.000 Atoms Gradients: O 0.089 -0.260 0.000 H -0.187 0.185 0.000 H1 0.098 0.075 0.000 Total SCF energy = -75.96859 Effective nuclear repulsion energy (a.u.) 8.35 Total SCF energy = -75.96812 Atoms Coordinates: O -0.291 -0.173 0.000 H 1.001 -1.400 0.000 H1 1.156 1.573 0.000 Atoms Gradients: O -0.091 -0.109 0.000 H 0.001 0.018 0.000 H1 0.089 0.091 0.000 Total SCF energy = -75.96969 Effective nuclear repulsion energy (a.u.) 8.33 Total SCF energy = -75.96976 Atoms Coordinates: O -0.227 -0.163 0.000 H 0.964 -1.491 0.000 H1 1.130 1.654 0.000 Atoms Gradients: O -0.073 -0.110 0.000 H -0.005 0.006 0.000 H1 0.078 0.105 0.000 Total SCF energy = -75.96980 Effective nuclear repulsion energy (a.u.) 8.30 Total SCF energy = -75.96981 Atoms Coordinates: O -0.230 -0.159 0.000 H 0.967 -1.498 0.000 H1 1.129 1.656 0.000 Atoms Gradients: O -0.078 -0.105 0.000 H 0.000 0.000 0.000 H1 0.078 0.105 0.000 Total SCF energy = -75.96981 Effective nuclear repulsion energy (a.u.) 8.30 Total SCF energy = -75.96981 Atoms Coordinates: O -0.231 -0.159 0.000 H 0.967 -1.497 0.000 H1 1.129 1.656 0.000 Atoms Gradients: O -0.078 -0.105 0.000 H 0.000 0.000 0.000 H1 0.078 0.105 0.000 Effective nuclear repulsion energy (a.u.) 8.30 Effective nuclear repulsion energy (a.u.) 7.33 Total SCF energy = -75.92789 Atoms Coordinates: O -0.267 0.000 0.000 H 1.066 -1.835 0.000 H 1.066 1.835 0.000 Atoms Gradients: O -0.136 0.000 0.000 H 0.068 -0.113 0.000 H 0.068 0.113 0.000 Total SCF energy = -75.96254 Effective nuclear repulsion energy (a.u.) 9.11 Total SCF energy = -75.93351 Atoms Coordinates: O -0.281 -0.271 0.000 H 0.958 -1.183 0.000 H 1.190 1.454 0.000 Atoms Gradients: O 0.089 -0.260 0.000 H -0.187 0.185 0.000 H 0.098 0.075 0.000 Total SCF energy = -75.96859 Effective nuclear repulsion energy (a.u.) 8.35 Total SCF energy = -75.96812 Atoms Coordinates: O -0.291 -0.173 0.000 H 1.001 -1.400 0.000 H 1.156 1.573 0.000 Atoms Gradients: O -0.091 -0.109 0.000 H 0.001 0.018 0.000 H 0.089 0.091 0.000 Total SCF energy = -75.96969 Effective nuclear repulsion energy (a.u.) 8.33 Total SCF energy = -75.96976 Atoms Coordinates: O -0.227 -0.163 0.000 H 0.964 -1.491 0.000 H 1.130 1.654 0.000 Atoms Gradients: O -0.073 -0.110 0.000 H -0.005 0.006 0.000 H 0.078 0.105 0.000 Total SCF energy = -75.96980 Effective nuclear repulsion energy (a.u.) 8.30 Total SCF energy = -75.96981 Atoms Coordinates: O -0.230 -0.159 0.000 H 0.967 -1.498 0.000 H 1.129 1.656 0.000 Atoms Gradients: O -0.078 -0.105 0.000 H 0.000 0.000 0.000 H 0.078 0.105 0.000 Total SCF energy = -75.96981 Effective nuclear repulsion energy (a.u.) 8.30 Total SCF energy = -75.96981 Atoms Coordinates: H 0.967 -1.497 0.000 H 1.129 1.656 0.000 Atoms Gradients: H 0.000 0.000 0.000 H 0.078 0.105 0.000 Effective nuclear repulsion energy (a.u.) 8.30 ################################################################################ ../testoutputs.doafewqmtests.mpi.2_mpich.log/tddft_h2o.out ################################################################################ host: builder1.x64.stream.opencloudos.tech [mpiexec@builder1.x64.stream.opencloudos.tech] Timeout set to -1 (-1 means infinite) ================================================================================================== mpiexec options: ---------------- Base path: /usr/lib64/mpich/bin/ Launcher: (null) Debug level: 1 Enable X: -1 Global environment: ------------------- NWCHEM_TARGET=LINUX64 SHELL=/bin/bash RPM_SOURCE_DIR=/builddir/build/SOURCES HISTCONTROL=ignoredups MPI_LIB=/usr/lib64/mpich/lib OMPI_MCA_rmaps_base_oversubscribe=1 PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig HOSTNAME=builder1.x64.stream.opencloudos.tech HISTSIZE=1000 _ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo= __LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1 OMPI_MCA_btl=^uct HYDRA_DEBUG=0 LMOD_DIR=/usr/share/lmod/lmod/libexec FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir LOGNAME=mockbuild MODULESHOME=/usr/share/lmod/lmod MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man MPI_COMPILER=mpich-x86_64 MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich CXX=g++ CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection MPI_INCLUDE=/usr/include/mpich-x86_64 RPM_ARCH=x86_64 MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich MPI_HOME=/usr/lib64/mpich __LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1 LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 HOME=/builddir _ModuleTable_Sz_=2 LANG=C __LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1 RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 LMOD_SETTARG_FULL_SUPPORT=no PROMPT_COMMAND=printf "\033]0;\007" RPM_PACKAGE_RELEASE=1.ocs23 LMOD_VERSION=8.7.31 MPI_SYSCONFIG=/etc/mpich-x86_64 RPM_OS=linux NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/ USE_LIBXC=True MODULEPATH_ROOT=/usr/share/modulefiles LT_SYS_LIBRARY_PATH=/usr/lib64: MALLOC_PERTURB_=98 MPI_SUFFIX=_mpich FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules LMOD_PKG=/usr/share/lmod/lmod TERM=vt100 FLEXIBLAS=openblas-openmp LESSOPEN=||/usr/bin/lesspipe.sh %s USER=mockbuild TIMEOUT_OPTS=--preserve-status --kill-after 10 1800 NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/ MPI_PYTHON_SITEARCH=@py2sitearch@/mpich LOADEDMODULES=mpi/mpich-x86_64 LMOD_ROOT=/usr/share/lmod SHLVL=3 RPM_BUILD_DIR=/builddir/build/BUILD BASH_ENV=/usr/share/lmod/lmod/init/bash LMOD_sys=Linux MPI_BIN=/usr/lib64/mpich/bin RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection __LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1 NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich RPM_DOC_DIR=/usr/share/doc _ModuleTable001_=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 LD_LIBRARY_PATH=/usr/lib64/mpich/lib MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec OMPI_MCA_btl_base_warn_component_unused=0 RPM_PACKAGE_VERSION=7.2.2 MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich MPI_MAN=/usr/share/man/mpich-x86_64 which_declare=declare -f MPIRUN_NPOPT=-verbose -np CONFIG_SITE=NONE PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core CC=gcc _LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64 CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod MAIL=/var/spool/mail/mockbuild __LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1 RPM_BUILD_NCPUS=32 RPM_PACKAGE_NAME=nwchem NPROC=2 RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" } BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ } BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status } _=/usr/lib64/mpich/bin/mpiexec Hydra internal environment: --------------------------- GFORTRAN_UNBUFFERED_PRECONNECTED=y Proxy information: ********************* [1] proxy: builder1.x64.stream.opencloudos.tech (1 cores) Exec list: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich (2 processes); ================================================================================================== [mpiexec@builder1.x64.stream.opencloudos.tech] Got a control port string of builder1.x64.stream.opencloudos.tech:36831 Proxy launch args: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:36831 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id Arguments being passed to proxy 0: --version 4.1.1 --iface-ip-env-name MPIR_CVAR_CH3_INTERFACE_HOSTNAME --hostname builder1.x64.stream.opencloudos.tech --global-core-map 0,1,1 --pmi-id-map 0,0 --global-process-count 2 --auto-cleanup 1 --pmi-kvsname kvs_686288_0_1954126987_builder1.x64.stream.opencloudos.tech --pmi-process-mapping (vector,(0,1,2)) --global-inherited-env 93 'NWCHEM_TARGET=LINUX64' 'SHELL=/bin/bash' 'RPM_SOURCE_DIR=/builddir/build/SOURCES' 'HISTCONTROL=ignoredups' 'MPI_LIB=/usr/lib64/mpich/lib' 'OMPI_MCA_rmaps_base_oversubscribe=1' 'PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig' 'HOSTNAME=builder1.x64.stream.opencloudos.tech' 'HISTSIZE=1000' '_ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo=' '__LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1' 'OMPI_MCA_btl=^uct' 'HYDRA_DEBUG=0' 'LMOD_DIR=/usr/share/lmod/lmod/libexec' 'FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir' 'LOGNAME=mockbuild' 'MODULESHOME=/usr/share/lmod/lmod' 'MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man' 'MPI_COMPILER=mpich-x86_64' 'MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich' 'CXX=g++' 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'MPI_INCLUDE=/usr/include/mpich-x86_64' 'RPM_ARCH=x86_64' 'MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich' 'MPI_HOME=/usr/lib64/mpich' '__LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' 'LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'HOME=/builddir' '_ModuleTable_Sz_=2' 'LANG=C' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' 'RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'LMOD_SETTARG_FULL_SUPPORT=no' 'PROMPT_COMMAND=printf "\033]0;\007"' 'RPM_PACKAGE_RELEASE=1.ocs23' 'LMOD_VERSION=8.7.31' 'MPI_SYSCONFIG=/etc/mpich-x86_64' 'RPM_OS=linux' 'NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/' 'USE_LIBXC=True' 'MODULEPATH_ROOT=/usr/share/modulefiles' 'LT_SYS_LIBRARY_PATH=/usr/lib64:' 'MALLOC_PERTURB_=98' 'MPI_SUFFIX=_mpich' 'FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'LMOD_PKG=/usr/share/lmod/lmod' 'TERM=vt100' 'FLEXIBLAS=openblas-openmp' 'LESSOPEN=||/usr/bin/lesspipe.sh %s' 'USER=mockbuild' 'TIMEOUT_OPTS=--preserve-status --kill-after 10 1800' 'NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/' 'MPI_PYTHON_SITEARCH=@py2sitearch@/mpich' 'LOADEDMODULES=mpi/mpich-x86_64' 'LMOD_ROOT=/usr/share/lmod' 'SHLVL=3' 'RPM_BUILD_DIR=/builddir/build/BUILD' 'BASH_ENV=/usr/share/lmod/lmod/init/bash' 'LMOD_sys=Linux' 'MPI_BIN=/usr/lib64/mpich/bin' 'RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' '__LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1' 'NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich' 'RPM_DOC_DIR=/usr/share/doc' '_ModuleTable001_=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' 'LD_LIBRARY_PATH=/usr/lib64/mpich/lib' 'MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec' 'OMPI_MCA_btl_base_warn_component_unused=0' 'RPM_PACKAGE_VERSION=7.2.2' 'MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich' 'MPI_MAN=/usr/share/man/mpich-x86_64' 'which_declare=declare -f' 'MPIRUN_NPOPT=-verbose -np' 'CONFIG_SITE=NONE' 'PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core' 'CC=gcc' '_LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64' 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod' 'MAIL=/var/spool/mail/mockbuild' '__LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1' 'RPM_BUILD_NCPUS=32' 'RPM_PACKAGE_NAME=nwchem' 'NPROC=2' 'RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64' 'OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA' 'BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" }' 'BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ }' 'BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status }' '_=/usr/lib64/mpich/bin/mpiexec' --global-user-env 0 --global-system-env 1 'GFORTRAN_UNBUFFERED_PRECONNECTED=y' --proxy-core-count 1 --exec --exec-appnum 0 --exec-proc-count 2 --exec-local-env 0 --exec-wdir /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir --exec-args 2 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/tddft_h2o/tddft_h2o.nw [mpiexec@builder1.x64.stream.opencloudos.tech] Launch arguments: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:36831 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PID_LIST [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=init pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_maxes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_appnum [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=appnum rc=0 appnum=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_my_kvsname [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=my_kvsname rc=0 kvsname=kvs_686288_0_1954126987_builder1.x64.stream.opencloudos.tech [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_686288_0_1954126987_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=init pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_686288_0_1954126987_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_BOhORa found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_maxes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_appnum [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=appnum rc=0 appnum=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_my_kvsname [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=my_kvsname rc=0 kvsname=kvs_686288_0_1954126987_builder1.x64.stream.opencloudos.tech [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_686288_0_1954126987_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_686288_0_1954126987_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_BOhORa found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_686288_0_1954126987_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 value=2F6465762F73686D2F6D706963685F736861725F746D706B76486E665400 [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D706B76486E665400 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] flushing 1 put command(s) out [proxy:0:0@builder1.x64.stream.opencloudos.tech] forwarding command upstream: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D706B76486E665400 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D706B76486E665400 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D706B76486E665400 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D706B76486E665400 [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_686288_0_1954126987_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=2F6465762F73686D2F6D706963685F736861725F746D706B76486E665400 found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_686288_0_1954126987_builder1.x64.stream.opencloudos.tech key=P0-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#45793$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#45793$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_686288_0_1954126987_builder1.x64.stream.opencloudos.tech key=P1-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#45877$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#45877$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] flushing 2 put command(s) out [proxy:0:0@builder1.x64.stream.opencloudos.tech] forwarding command upstream: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#45793$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#45877$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#45793$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#45877$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#45793$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#45877$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#45793$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#45877$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT argument 1 = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/tddft_h2o/tddft_h2o.nw [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================== echo of input deck ============================== # This tests CIS, TDHF, TDDFT functionality at once # by using a hybrid LDA, GGA, HF functional for # spin restricted reference with symmetry on. start tddft_h2o echo title "TDDFT H2O B3LYP/6-31G** QA TEST" geometry O 0.00000000 0.00000000 0.12982363 H 0.75933475 0.00000000 -0.46621158 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] H -0.75933475 0.00000000 -0.46621158 end basis O library 6-31G** H library 6-31G** end dft xc b3lyp end tddft nroots 10 Sending upstream hdr.cmd = CMD_STDOUT end task tddft energy ================================================================================ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Northwest Computational Chemistry Package (NWChem) 7.2.2 -------------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352 Copyright (c) 1994-2022 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Educational Community License (ECL) 2.0 A copy of the license is included with this distribution in the LICENSE.TXT file ACKNOWLEDGMENT -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Job information --------------- Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] hostname = builder1.x64.stream.opencloudos.tech program = nwchem_binary_mpich date = Tue Jul 23 09:46:03 2024 compiled = Tue_Jul_23_08:39:25_2024 source = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 nwchem branch = 7.2.2 nwchem revision = N/A ga revision = 5.8.0 use scalapack = T Sending upstream hdr.cmd = CMD_STDOUT input = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/tddft_h2o/tddft_h2o.nw prefix = tddft_h2o. data base = ./tddft_h2o.db status = startup nproc = 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT time left = -1s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Memory information ------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT heap = 26214400 doubles = 200.0 Mbytes stack = 26214397 doubles = 200.0 Mbytes global = 52428800 doubles = 400.0 Mbytes (distinct from heap & stack) total = 104857597 doubles = 800.0 Mbytes verify = yes hardfail = no [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Directory information --------------------- 0 permanent = . 0 scratch = . [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT TDDFT H2O B3LYP/6-31G** QA TEST ------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Scaling coordinates for geometry "geometry" by 1.889725989 (inverse scale = 0.529177249) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT C2V symmetry detected [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------ auto-z ------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Geometry "geometry" -> "" ------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 O 8.0000 0.00000000 0.00000000 0.11920704 2 H 1.0000 0.75933475 0.00000000 -0.47682817 3 H 1.0000 -0.75933475 0.00000000 -0.47682817 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Atomic Mass ----------- O 15.994910 H 1.007825 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Effective nuclear repulsion energy (a.u.) 9.1194413826 Nuclear Dipole moment (a.u.) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Symmetry information -------------------- Group name C2v Group number 16 Group order 4 No. of unique centers 2 Symmetry unique atoms [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Type Name I J K L M Value ----------- -------- ----- ----- ----- ----- ----- ---------- 1 Stretch 1 2 0.96532 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 Stretch 1 3 0.96532 3 Bend 2 1 3 103.74015 XYZ format geometry ------------------- 3 geometry O 0.00000000 0.00000000 0.11920704 H 0.75933475 0.00000000 -0.47682817 H -0.75933475 0.00000000 -0.47682817 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 H | 1 O | 1.82419 | 0.96532 3 H | 1 O | 1.82419 | 0.96532 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------------------------------------------------------------------ number of included internuclear distances: 2 ============================================================================== [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================================================================== internuclear angles [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 H | 1 O | 3 H | 103.74 ------------------------------------------------------------------------------ number of included internuclear angles: 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================================================================== [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT library name resolved from: environment library file name is: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Basis "ao basis" -> "" (cartesian) ----- O (Oxygen) ---------- Exponent Coefficients [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] -------------- --------------------------------------------------------- 1 S 5.48467170E+03 0.001831 1 S 8.25234950E+02 0.013950 Sending upstream hdr.cmd = CMD_STDOUT 1 S 1.88046960E+02 0.068445 1 S 5.29645000E+01 0.232714 1 S 1.68975700E+01 0.470193 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 S 5.79963530E+00 0.358521 2 S 1.55396160E+01 -0.110778 2 S 3.59993360E+00 -0.148026 2 S 1.01376180E+00 1.130767 3 P 1.55396160E+01 0.070874 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 3 P 3.59993360E+00 0.339753 3 P 1.01376180E+00 0.727159 4 S 2.70005800E-01 1.000000 5 P 2.70005800E-01 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 6 D 8.00000000E-01 1.000000 H (Hydrogen) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------ Exponent Coefficients -------------- --------------------------------------------------------- 1 S 1.87311370E+01 0.033495 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 S 2.82539370E+00 0.234727 1 S 6.40121700E-01 0.813757 2 S 1.61277800E-01 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] 3 P 1.10000000E+00 1.000000 Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT O 6-31G** 6 15 3s2p1d H 6-31G** 3 5 2s1p [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem DFT Module ----------------- TDDFT H2O B3LYP/6-31G** QA TEST [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O 6-31G** 6 15 3s2p1d H 6-31G** 3 5 2s1p [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of basis -------------------------- a1 12 a2 2 b1 7 b2 4 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Caching 1-el integrals [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] General Information ------------------- SCF calculation type: DFT Wavefunction type: closed shell. Sending upstream hdr.cmd = CMD_STDOUT No. of atoms : 3 No. of electrons : 10 Alpha electrons : 5 Beta electrons : 5 Charge : 0 Spin multiplicity: 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Use of symmetry is: off; symmetry adaption is: on Maximum number of iterations: 50 AO basis - number of functions: 25 number of shells: 12 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on energy requested: 1.00D-06 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT XC Information -------------- B3LYP Method XC Potential [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Hartree-Fock (Exact) Exchange 0.200 Slater Exchange Functional 0.800 local Becke 1988 Exchange Functional 0.720 non-local Lee-Yang-Parr Correlation Functional 0.810 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT VWN I RPA Correlation Functional 0.190 local Grid Information ---------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid used for XC integration: medium Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- O 0.60 49 5.0 434 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT H 0.35 45 6.0 434 Grid pruning is: on Number of quadrature shells: 139 Spatial weights used: Erf1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Sending upstream hdr.cmd = CMD_STDOUT Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------------------- Density screening/tol_rho: 1.00D-10 AO Gaussian exp screening on grid/accAOfunc: 14 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Superposition of Atomic Density Guess ------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Sum of atomic energies: -75.75081731 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Non-variational initial energy ------------------------------ Total energy = -75.904518 1-e energy = -121.613649 2-e energy = 36.589689 HOMO = -0.469134 LUMO = 0.112377 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of molecular orbitals - initial ------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Numbering of irreducible representations: 1 a1 2 a2 3 b1 4 b2 Orbital symmetries: 1 a1 2 a1 3 b1 4 a1 5 b2 6 a1 7 b1 8 b1 9 a1 10 a1 11 b2 12 b1 13 a1 14 a1 15 a2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT WARNING: movecs_in_org=atomic not equal to movecs_in=./tddft_h2o.movecs Time after variat. SCF: 0.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 0.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_EXIT_STATUS ################################################################################+ printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + test -r ../testoutputs.doafewqmtests.mpi.2_mpich.log/h2o_opt.out.nwparse + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/h2o_opt.out.nwparse + for f in $(diff <(grep "Running tests/" ${BUILD_LOG}) <(grep -E "Running tests/|verifying output ... OK" ${BUILD_LOG} | grep "verifying output" -B 1 | grep Running) | grep Running | cut -d' ' -f 4) + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo ++ basename tests/tddft_h2o/tddft_h2o + NAME=tddft_h2o + echo ../testoutputs.doafewqmtests.mpi.2_mpich.log/tddft_h2o.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/tddft_h2o.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + test -r ../testoutputs.doafewqmtests.mpi.2_mpich.log/tddft_h2o.out.nwparse + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/tddft_h2o.err + for f in $(diff <(grep "Running tests/" ${BUILD_LOG}) <(grep -E "Running tests/|verifying output ... OK" ${BUILD_LOG} | grep "verifying output" -B 1 | grep Running) | grep Running | cut -d' ' -f 4) + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo ++ basename tests/tddft_n2+/tddft_n2+ + NAME=tddft_n2+ + echo ../testoutputs.doafewqmtests.mpi.2_mpich.log/tddft_n2+.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/tddft_n2+.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + test -r ../testoutputs.doafewqmtests.mpi.2_mpich.log/tddft_n2+.out.nwparse + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/tddft_n2+.err + for f in $(diff <(grep "Running tests/" ${BUILD_LOG}) <(grep -E "Running tests/|verifying output ... OK" ${BUILD_LOG} | grep "verifying output" -B 1 | grep Running) | grep Running | cut -d' ' -f 4) + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo ++ basename tests/ch3radical_unrot/ch3radical_unrot + NAME=ch3radical_unrot + echo ../testoutputs.doafewqmtests.mpi.2_mpich.log/ch3radical_unrot.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/ch3radical_unrot.out Program received signal SIGFPE: Floating-point exception - erroneous arithmetic operation. Backtrace for this error: #0 0x7ff5ddc23862 in ??? #1 0x7ff5ddc229f5 in ??? #2 0x7ff5d2a54acf in ??? #3 0x7ff5cfcf2eb7 in ??? #4 0x7ff5cfbea7bf in ??? #5 0x4621c8f in ??? #6 0x7c4d49 in ??? #7 0x737210 in ??? #8 0x864259 in ??? #9 0x85ded5 in grid_loop_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid/grid_loop.F:335 #10 0x861aa9 in ??? #11 0x731da3 in ??? #12 0x7339f1 in ??? #13 0x6e8e06 in xc_getvxc_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getvxc.F:189 #14 0x6e890b in xc_getv_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getv.F:459 #15 0x68cc5b in dft_fockbld_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_fockbld.F:442 #16 0x684717 in dft_scf_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_scf.F:1304 #17 0x67f24f in dft_main0d_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_main0d.F:581 #18 0x6736e6 in nwdft_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:412 #19 0x673a81 in dft_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:18 #20 0x5fd707 in tddft_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft/tddft_energy.F:140 #21 0x426718 in task_energy_doit_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:308 #22 0x4280b3 in task_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:122 #23 0x41718e in task_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task.F:377 #24 0x40e1fd in nwchem at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:331 #25 0x40e743 in main at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:415 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich: line 3: 686292 Floating point exception(core dumped) nwchem_binary_mpich "$@" ################################################################################ ../testoutputs.doafewqmtests.mpi.2_mpich.log/tddft_n2+.out ################################################################################ host: builder1.x64.stream.opencloudos.tech [mpiexec@builder1.x64.stream.opencloudos.tech] Timeout set to -1 (-1 means infinite) ================================================================================================== mpiexec options: ---------------- Base path: /usr/lib64/mpich/bin/ Launcher: (null) Debug level: 1 Enable X: -1 Global environment: ------------------- NWCHEM_TARGET=LINUX64 SHELL=/bin/bash RPM_SOURCE_DIR=/builddir/build/SOURCES HISTCONTROL=ignoredups MPI_LIB=/usr/lib64/mpich/lib OMPI_MCA_rmaps_base_oversubscribe=1 PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig HOSTNAME=builder1.x64.stream.opencloudos.tech HISTSIZE=1000 _ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo= __LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1 OMPI_MCA_btl=^uct HYDRA_DEBUG=0 LMOD_DIR=/usr/share/lmod/lmod/libexec FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir LOGNAME=mockbuild MODULESHOME=/usr/share/lmod/lmod MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man MPI_COMPILER=mpich-x86_64 MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich CXX=g++ CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection MPI_INCLUDE=/usr/include/mpich-x86_64 RPM_ARCH=x86_64 MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich MPI_HOME=/usr/lib64/mpich __LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1 LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 HOME=/builddir _ModuleTable_Sz_=2 LANG=C __LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1 RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 LMOD_SETTARG_FULL_SUPPORT=no PROMPT_COMMAND=printf "\033]0;\007" RPM_PACKAGE_RELEASE=1.ocs23 LMOD_VERSION=8.7.31 MPI_SYSCONFIG=/etc/mpich-x86_64 RPM_OS=linux NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/ USE_LIBXC=True MODULEPATH_ROOT=/usr/share/modulefiles LT_SYS_LIBRARY_PATH=/usr/lib64: MALLOC_PERTURB_=119 MPI_SUFFIX=_mpich FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules LMOD_PKG=/usr/share/lmod/lmod TERM=vt100 FLEXIBLAS=openblas-openmp LESSOPEN=||/usr/bin/lesspipe.sh %s USER=mockbuild TIMEOUT_OPTS=--preserve-status --kill-after 10 1800 NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/ MPI_PYTHON_SITEARCH=@py2sitearch@/mpich LOADEDMODULES=mpi/mpich-x86_64 LMOD_ROOT=/usr/share/lmod SHLVL=3 RPM_BUILD_DIR=/builddir/build/BUILD BASH_ENV=/usr/share/lmod/lmod/init/bash LMOD_sys=Linux MPI_BIN=/usr/lib64/mpich/bin RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection __LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1 NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich RPM_DOC_DIR=/usr/share/doc _ModuleTable001_=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 LD_LIBRARY_PATH=/usr/lib64/mpich/lib MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec OMPI_MCA_btl_base_warn_component_unused=0 RPM_PACKAGE_VERSION=7.2.2 MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich MPI_MAN=/usr/share/man/mpich-x86_64 which_declare=declare -f MPIRUN_NPOPT=-verbose -np CONFIG_SITE=NONE PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core CC=gcc _LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64 CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod MAIL=/var/spool/mail/mockbuild __LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1 RPM_BUILD_NCPUS=32 RPM_PACKAGE_NAME=nwchem NPROC=2 RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" } BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ } BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status } _=/usr/lib64/mpich/bin/mpiexec Hydra internal environment: --------------------------- GFORTRAN_UNBUFFERED_PRECONNECTED=y Proxy information: ********************* [1] proxy: builder1.x64.stream.opencloudos.tech (1 cores) Exec list: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich (2 processes); ================================================================================================== [mpiexec@builder1.x64.stream.opencloudos.tech] Got a control port string of builder1.x64.stream.opencloudos.tech:38719 Proxy launch args: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:38719 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id Arguments being passed to proxy 0: --version 4.1.1 --iface-ip-env-name MPIR_CVAR_CH3_INTERFACE_HOSTNAME --hostname builder1.x64.stream.opencloudos.tech --global-core-map 0,1,1 --pmi-id-map 0,0 --global-process-count 2 --auto-cleanup 1 --pmi-kvsname kvs_686382_0_1355431444_builder1.x64.stream.opencloudos.tech --pmi-process-mapping (vector,(0,1,2)) --global-inherited-env 93 'NWCHEM_TARGET=LINUX64' 'SHELL=/bin/bash' 'RPM_SOURCE_DIR=/builddir/build/SOURCES' 'HISTCONTROL=ignoredups' 'MPI_LIB=/usr/lib64/mpich/lib' 'OMPI_MCA_rmaps_base_oversubscribe=1' 'PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig' 'HOSTNAME=builder1.x64.stream.opencloudos.tech' 'HISTSIZE=1000' '_ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo=' '__LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1' 'OMPI_MCA_btl=^uct' 'HYDRA_DEBUG=0' 'LMOD_DIR=/usr/share/lmod/lmod/libexec' 'FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir' 'LOGNAME=mockbuild' 'MODULESHOME=/usr/share/lmod/lmod' 'MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man' 'MPI_COMPILER=mpich-x86_64' 'MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich' 'CXX=g++' 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'MPI_INCLUDE=/usr/include/mpich-x86_64' 'RPM_ARCH=x86_64' 'MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich' 'MPI_HOME=/usr/lib64/mpich' '__LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' 'LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'HOME=/builddir' '_ModuleTable_Sz_=2' 'LANG=C' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' 'RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'LMOD_SETTARG_FULL_SUPPORT=no' 'PROMPT_COMMAND=printf "\033]0;\007"' 'RPM_PACKAGE_RELEASE=1.ocs23' 'LMOD_VERSION=8.7.31' 'MPI_SYSCONFIG=/etc/mpich-x86_64' 'RPM_OS=linux' 'NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/' 'USE_LIBXC=True' 'MODULEPATH_ROOT=/usr/share/modulefiles' 'LT_SYS_LIBRARY_PATH=/usr/lib64:' 'MALLOC_PERTURB_=119' 'MPI_SUFFIX=_mpich' 'FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'LMOD_PKG=/usr/share/lmod/lmod' 'TERM=vt100' 'FLEXIBLAS=openblas-openmp' 'LESSOPEN=||/usr/bin/lesspipe.sh %s' 'USER=mockbuild' 'TIMEOUT_OPTS=--preserve-status --kill-after 10 1800' 'NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/' 'MPI_PYTHON_SITEARCH=@py2sitearch@/mpich' 'LOADEDMODULES=mpi/mpich-x86_64' 'LMOD_ROOT=/usr/share/lmod' 'SHLVL=3' 'RPM_BUILD_DIR=/builddir/build/BUILD' 'BASH_ENV=/usr/share/lmod/lmod/init/bash' 'LMOD_sys=Linux' 'MPI_BIN=/usr/lib64/mpich/bin' 'RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' '__LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1' 'NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich' 'RPM_DOC_DIR=/usr/share/doc' '_ModuleTable001_=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' 'LD_LIBRARY_PATH=/usr/lib64/mpich/lib' 'MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec' 'OMPI_MCA_btl_base_warn_component_unused=0' 'RPM_PACKAGE_VERSION=7.2.2' 'MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich' 'MPI_MAN=/usr/share/man/mpich-x86_64' 'which_declare=declare -f' 'MPIRUN_NPOPT=-verbose -np' 'CONFIG_SITE=NONE' 'PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core' 'CC=gcc' '_LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64' 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod' 'MAIL=/var/spool/mail/mockbuild' '__LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1' 'RPM_BUILD_NCPUS=32' 'RPM_PACKAGE_NAME=nwchem' 'NPROC=2' 'RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64' 'OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA' 'BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" }' 'BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ }' 'BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status }' '_=/usr/lib64/mpich/bin/mpiexec' --global-user-env 0 --global-system-env 1 'GFORTRAN_UNBUFFERED_PRECONNECTED=y' --proxy-core-count 1 --exec --exec-appnum 0 --exec-proc-count 2 --exec-local-env 0 --exec-wdir /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir --exec-args 2 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/tddft_n2+/tddft_n2+.nw [mpiexec@builder1.x64.stream.opencloudos.tech] Launch arguments: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:38719 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PID_LIST [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=init pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_maxes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=init pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_appnum [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=appnum rc=0 appnum=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_maxes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_my_kvsname [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=my_kvsname rc=0 kvsname=kvs_686382_0_1355431444_builder1.x64.stream.opencloudos.tech [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_appnum [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=appnum rc=0 appnum=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_686382_0_1355431444_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_my_kvsname [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=my_kvsname rc=0 kvsname=kvs_686382_0_1355431444_builder1.x64.stream.opencloudos.tech [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_686382_0_1355431444_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_LMLiuk found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_686382_0_1355431444_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_686382_0_1355431444_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_LMLiuk found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_686382_0_1355431444_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 value=2F6465762F73686D2F6D706963685F736861725F746D704E44756C336600 [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704E44756C336600 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] flushing 1 put command(s) out [proxy:0:0@builder1.x64.stream.opencloudos.tech] forwarding command upstream: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704E44756C336600 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704E44756C336600 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704E44756C336600 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704E44756C336600 [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_686382_0_1355431444_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=2F6465762F73686D2F6D706963685F736861725F746D704E44756C336600 found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_686382_0_1355431444_builder1.x64.stream.opencloudos.tech key=P0-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#33665$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#33665$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_686382_0_1355431444_builder1.x64.stream.opencloudos.tech key=P1-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#42859$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#42859$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] flushing 2 put command(s) out [proxy:0:0@builder1.x64.stream.opencloudos.tech] forwarding command upstream: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#33665$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#42859$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#33665$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#42859$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#33665$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#42859$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#33665$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#42859$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT argument 1 = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/tddft_n2+/tddft_n2+.nw [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================== echo of input deck ============================== # This tests CIS, TDHF, TDDFT functionality at once # by using a hybrid LDA, GGA, HF functional for # spin unrestricted reference with symmetry on. start tddft_n2+ echo title "TDDFT N2+ 1.0977A B3LYP/6-31G** QA TEST" charge 1 geometry symmetry d2h N 0.0 0.0 -0.54885 N 0.0 0.0 0.54885 end basis N library 6-31G** end dft xc b3lyp mult 2 end tddft nroots 10 end task tddft energy ================================================================================ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Northwest Computational Chemistry Package (NWChem) 7.2.2 -------------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352 Copyright (c) 1994-2022 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Educational Community License (ECL) 2.0 A copy of the license is included with this distribution in the LICENSE.TXT file ACKNOWLEDGMENT -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Job information --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT hostname = builder1.x64.stream.opencloudos.tech program = nwchem_binary_mpich date = Tue Jul 23 09:46:05 2024 compiled = Tue_Jul_23_08:39:25_2024 source = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 nwchem branch = 7.2.2 nwchem revision = N/A ga revision = 5.8.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT use scalapack = T input = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/tddft_n2+/tddft_n2+.nw prefix = tddft_n2+. data base = ./tddft_n2+.db status = startup nproc = 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT time left = -1s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Memory information ------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT heap = 26214400 doubles = 200.0 Mbytes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT stack = 26214397 doubles = 200.0 Mbytes global = 52428800 doubles = 400.0 Mbytes (distinct from heap & stack) total = 104857597 doubles = 800.0 Mbytes verify = yes hardfail = no [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Directory information --------------------- 0 permanent = . 0 scratch = . [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT TDDFT N2+ 1.0977A B3LYP/6-31G** QA TEST --------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Scaling coordinates for geometry "geometry" by 1.889725989 (inverse scale = 0.529177249) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Turning off AUTOSYM since SYMMETRY directive was detected! [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------ auto-z ------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Geometry "geometry" -> "" ------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 N 7.0000 0.00000000 0.00000000 -0.54885000 2 N 7.0000 0.00000000 0.00000000 0.54885000 Atomic Mass ----------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT N 14.003070 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Effective nuclear repulsion energy (a.u.) 23.6218321955 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Symmetry information [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------------- Group name D2h Group number 26 Group order 8 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] No. of unique centers 1 Symmetry unique atoms 1 Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Z-matrix (autoz) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------- Units are Angstrom for bonds and degrees for angles Type Name I J K L M Value ----------- -------- ----- ----- ----- ----- ----- ---------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 Stretch 1 2 1.09770 XYZ format geometry [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------- 2 geometry N 0.00000000 0.00000000 -0.54885000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT N 0.00000000 0.00000000 0.54885000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 N | 1 N | 2.07435 | 1.09770 ------------------------------------------------------------------------------ number of included internuclear distances: 1 ============================================================================== [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT library name resolved from: environment library file name is: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Basis "ao basis" -> "" (cartesian) ----- N (Nitrogen) ------------ Exponent Coefficients [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------- --------------------------------------------------------- 1 S 4.17351100E+03 0.001835 1 S 6.27457900E+02 0.013995 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 S 1.42902100E+02 0.068587 1 S 4.02343300E+01 0.232241 1 S 1.28202100E+01 0.469070 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 S 4.39043700E+00 0.360455 2 S 1.16263580E+01 -0.114961 2 S 2.71628000E+00 -0.169118 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 S 7.72218000E-01 1.145852 3 P 1.16263580E+01 0.067580 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 3 P 2.71628000E+00 0.323907 3 P 7.72218000E-01 0.740895 4 S 2.12031300E-01 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] 5 P 2.12031300E-01 1.000000 6 D 8.00000000E-01 1.000000 Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Summary of "ao basis" -> "" (cartesian) ------------------------------------------------------------------------------ Sending upstream hdr.cmd = CMD_STDOUT Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- N 6-31G** 6 15 3s2p1d [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem DFT Module ----------------- TDDFT N2+ 1.0977A B3LYP/6-31G** QA TEST [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- N 6-31G** 6 15 3s2p1d [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of basis [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------------------- ag 8 au 1 b1g 1 b1u 8 b2g 3 b2u 3 b3g 3 b3u 3 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Caching 1-el integrals [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT General Information ------------------- SCF calculation type: DFT Wavefunction type: spin polarized. No. of atoms : 2 No. of electrons : 13 Alpha electrons : 7 Beta electrons : 6 Charge : 1 Spin multiplicity: 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Use of symmetry is: off; symmetry adaption is: on Maximum number of iterations: 50 AO basis - number of functions: 30 number of shells: 12 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on energy requested: 1.00D-06 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 XC Information -------------- B3LYP Method XC Potential Hartree-Fock (Exact) Exchange 0.200 Slater Exchange Functional 0.800 local Becke 1988 Exchange Functional 0.720 non-local Lee-Yang-Parr Correlation Functional 0.810 VWN I RPA Correlation Functional 0.190 local Grid Information ---------------- Grid used for XC integration: medium Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- N 0.65 49 5.0 434 Grid pruning is: on Number of quadrature shells: 98 Spatial weights used: Erf1 Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Density screening/tol_rho: 1.00D-10 AO Gaussian exp screening on grid/accAOfunc: 14 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Superposition of Atomic Density Guess ------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Sum of atomic energies: -108.58747649 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Renormalizing density from 14.00 to 13 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Non-variational initial energy ------------------------------ Total energy = -103.672717 1-e energy = -180.042836 2-e energy = 52.748287 HOMO = -0.962138 LUMO = -0.507383 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of molecular orbitals - initial alpha ------------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT !! scf_movecs_sym_adapt: 16 vectors were symmetry contaminated Symmetry fudging [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT !! scf_movecs_sym_adapt: 12 vectors were symmetry contaminated [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Numbering of irreducible representations: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 ag 2 au 3 b1g 4 b1u 5 b2g 6 b2u 7 b3g 8 b3u Orbital symmetries: 1 ag 2 b1u 3 ag 4 b1u 5 b3u 6 b2u 7 ag 8 b2g 9 b3g 10 b1u 11 ag 12 b3u 13 b2u 14 ag 15 b1u 16 b2g 17 b3g [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of molecular orbitals - initial beta ------------------------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT !! scf_movecs_sym_adapt: 16 vectors were symmetry contaminated Symmetry fudging [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT !! scf_movecs_sym_adapt: 12 vectors were symmetry contaminated [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Numbering of irreducible representations: 1 ag 2 au 3 b1g 4 b1u 5 b2g 6 b2u 7 b3g 8 b3u Orbital symmetries: 1 ag 2 b1u 3 ag 4 b1u 5 b3u Sending upstream hdr.cmd = CMD_STDOUT 6 b2u 7 ag 8 b2g 9 b3g 10 b1u 11 ag 12 b3u 13 b2u 14 ag 15 b1u 16 b2g 17 b3g [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT WARNING: movecs_in_org=atomic not equal to movecs_in=./tddft_n2+.movecs Time after variat. SCF: 0.4 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 0.4 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_EXIT_STATUS ################################################################################ Program received signal SIGFPE: Floating-point exception - erroneous arithmetic operation. Backtrace for this error: #0 0x7ff445e23862 in ??? #1 0x7ff445e229f5 in ??? #2 0x7ff43ac54acf in ??? #3 0x7ff437ef2eb7 in ??? #4 0x7ff437dea7bf in ??? #5 0x4621c8f in ??? #6 0x7c4d49 in ??? #7 0x737210 in ??? #8 0x864259 in ??? #9 0x85ded5 in grid_loop_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid/grid_loop.F:335 #10 0x861aa9 in ??? #11 0x731da3 in ??? #12 0x7339f1 in ??? #13 0x6e8e06 in xc_getvxc_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getvxc.F:189 #14 0x6e890b in xc_getv_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getv.F:459 #15 0x68cc5b in dft_fockbld_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_fockbld.F:442 #16 0x684717 in dft_scf_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_scf.F:1304 #17 0x67f24f in dft_main0d_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_main0d.F:581 #18 0x6736e6 in nwdft_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:412 #19 0x673a81 in dft_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:18 #20 0x5fd707 in tddft_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/lr_tddft/tddft_energy.F:140 #21 0x426718 in task_energy_doit_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:308 #22 0x4280b3 in task_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:122 #23 0x41718e in task_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task.F:377 #24 0x40e1fd in nwchem at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:331 #25 0x40e743 in main at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:415 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich: line 3: 686386 Floating point exception(core dumped) nwchem_binary_mpich "$@" ################################################################################ ../testoutputs.doafewqmtests.mpi.2_mpich.log/ch3radical_unrot.out ################################################################################ host: builder1.x64.stream.opencloudos.tech [mpiexec@builder1.x64.stream.opencloudos.tech] Timeout set to -1 (-1 means infinite) ================================================================================================== mpiexec options: ---------------- Base path: /usr/lib64/mpich/bin/ Launcher: (null) Debug level: 1 Enable X: -1 Global environment: ------------------- NWCHEM_TARGET=LINUX64 SHELL=/bin/bash RPM_SOURCE_DIR=/builddir/build/SOURCES HISTCONTROL=ignoredups MPI_LIB=/usr/lib64/mpich/lib OMPI_MCA_rmaps_base_oversubscribe=1 PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig HOSTNAME=builder1.x64.stream.opencloudos.tech HISTSIZE=1000 _ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo= __LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1 OMPI_MCA_btl=^uct HYDRA_DEBUG=0 LMOD_DIR=/usr/share/lmod/lmod/libexec FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir LOGNAME=mockbuild MODULESHOME=/usr/share/lmod/lmod MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man MPI_COMPILER=mpich-x86_64 MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich CXX=g++ CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection MPI_INCLUDE=/usr/include/mpich-x86_64 RPM_ARCH=x86_64 MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich MPI_HOME=/usr/lib64/mpich __LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1 LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 HOME=/builddir _ModuleTable_Sz_=2 LANG=C __LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1 RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 LMOD_SETTARG_FULL_SUPPORT=no PROMPT_COMMAND=printf "\033]0;\007" RPM_PACKAGE_RELEASE=1.ocs23 LMOD_VERSION=8.7.31 MPI_SYSCONFIG=/etc/mpich-x86_64 RPM_OS=linux NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/ USE_LIBXC=True MODULEPATH_ROOT=/usr/share/modulefiles LT_SYS_LIBRARY_PATH=/usr/lib64: MALLOC_PERTURB_=217 MPI_SUFFIX=_mpich FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules LMOD_PKG=/usr/share/lmod/lmod TERM=vt100 FLEXIBLAS=openblas-openmp LESSOPEN=||/usr/bin/lesspipe.sh %s USER=mockbuild TIMEOUT_OPTS=--preserve-status --kill-after 10 1800 NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/ MPI_PYTHON_SITEARCH=@py2sitearch@/mpich LOADEDMODULES=mpi/mpich-x86_64 LMOD_ROOT=/usr/share/lmod SHLVL=3 RPM_BUILD_DIR=/builddir/build/BUILD BASH_ENV=/usr/share/lmod/lmod/init/bash LMOD_sys=Linux MPI_BIN=/usr/lib64/mpich/bin RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection __LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1 NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich RPM_DOC_DIR=/usr/share/doc _ModuleTable001_=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 LD_LIBRARY_PATH=/usr/lib64/mpich/lib MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec OMPI_MCA_btl_base_warn_component_unused=0 RPM_PACKAGE_VERSION=7.2.2 MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich MPI_MAN=/usr/share/man/mpich-x86_64 which_declare=declare -f MPIRUN_NPOPT=-verbose -np CONFIG_SITE=NONE PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core CC=gcc _LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64 CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod MAIL=/var/spool/mail/mockbuild __LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1 RPM_BUILD_NCPUS=32 RPM_PACKAGE_NAME=nwchem NPROC=2 RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" } BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ } BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status } _=/usr/lib64/mpich/bin/mpiexec Hydra internal environment: --------------------------- GFORTRAN_UNBUFFERED_PRECONNECTED=y Proxy information: ********************* [1] proxy: builder1.x64.stream.opencloudos.tech (1 cores) Exec list: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich (2 processes); ================================================================================================== [mpiexec@builder1.x64.stream.opencloudos.tech] Got a control port string of builder1.x64.stream.opencloudos.tech:35779 Proxy launch args: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:35779 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id Arguments being passed to proxy 0: --version 4.1.1 --iface-ip-env-name MPIR_CVAR_CH3_INTERFACE_HOSTNAME --hostname builder1.x64.stream.opencloudos.tech --global-core-map 0,1,1 --pmi-id-map 0,0 --global-process-count 2 --auto-cleanup 1 --pmi-kvsname kvs_696150_0_60493633_builder1.x64.stream.opencloudos.tech --pmi-process-mapping (vector,(0,1,2)) --global-inherited-env 93 'NWCHEM_TARGET=LINUX64' 'SHELL=/bin/bash' 'RPM_SOURCE_DIR=/builddir/build/SOURCES' 'HISTCONTROL=ignoredups' 'MPI_LIB=/usr/lib64/mpich/lib' 'OMPI_MCA_rmaps_base_oversubscribe=1' 'PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig' 'HOSTNAME=builder1.x64.stream.opencloudos.tech' 'HISTSIZE=1000' '_ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo=' '__LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1' 'OMPI_MCA_btl=^uct' 'HYDRA_DEBUG=0' 'LMOD_DIR=/usr/share/lmod/lmod/libexec' 'FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir' 'LOGNAME=mockbuild' 'MODULESHOME=/usr/share/lmod/lmod' 'MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man' 'MPI_COMPILER=mpich-x86_64' 'MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich' 'CXX=g++' 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'MPI_INCLUDE=/usr/include/mpich-x86_64' 'RPM_ARCH=x86_64' 'MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich' 'MPI_HOME=/usr/lib64/mpich' '__LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' 'LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'HOME=/builddir' '_ModuleTable_Sz_=2' 'LANG=C' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' 'RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'LMOD_SETTARG_FULL_SUPPORT=no' 'PROMPT_COMMAND=printf "\033]0;\007"' 'RPM_PACKAGE_RELEASE=1.ocs23' 'LMOD_VERSION=8.7.31' 'MPI_SYSCONFIG=/etc/mpich-x86_64' 'RPM_OS=linux' 'NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/' 'USE_LIBXC=True' 'MODULEPATH_ROOT=/usr/share/modulefiles' 'LT_SYS_LIBRARY_PATH=/usr/lib64:' 'MALLOC_PERTURB_=217' 'MPI_SUFFIX=_mpich' 'FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'LMOD_PKG=/usr/share/lmod/lmod' 'TERM=vt100' 'FLEXIBLAS=openblas-openmp' 'LESSOPEN=||/usr/bin/lesspipe.sh %s' 'USER=mockbuild' 'TIMEOUT_OPTS=--preserve-status --kill-after 10 1800' 'NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/' 'MPI_PYTHON_SITEARCH=@py2sitearch@/mpich' 'LOADEDMODULES=mpi/mpich-x86_64' 'LMOD_ROOT=/usr/share/lmod' 'SHLVL=3' 'RPM_BUILD_DIR=/builddir/build/BUILD' 'BASH_ENV=/usr/share/lmod/lmod/init/bash' 'LMOD_sys=Linux' 'MPI_BIN=/usr/lib64/mpich/bin' 'RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' '__LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1' 'NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich' 'RPM_DOC_DIR=/usr/share/doc' '_ModuleTable001_=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' 'LD_LIBRARY_PATH=/usr/lib64/mpich/lib' 'MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec' 'OMPI_MCA_btl_base_warn_component_unused=0' 'RPM_PACKAGE_VERSION=7.2.2' 'MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich' 'MPI_MAN=/usr/share/man/mpich-x86_64' 'which_declare=declare -f' 'MPIRUN_NPOPT=-verbose -np' 'CONFIG_SITE=NONE' 'PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core' 'CC=gcc' '_LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64' 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod' 'MAIL=/var/spool/mail/mockbuild' '__LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1' 'RPM_BUILD_NCPUS=32' 'RPM_PACKAGE_NAME=nwchem' 'NPROC=2' 'RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64' 'OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA' 'BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" }' 'BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ }' 'BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status }' '_=/usr/lib64/mpich/bin/mpiexec' --global-user-env 0 --global-system-env 1 'GFORTRAN_UNBUFFERED_PRECONNECTED=y' --proxy-core-count 1 --exec --exec-appnum 0 --exec-proc-count 2 --exec-local-env 0 --exec-wdir /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir --exec-args 2 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/ch3radical_unrot/ch3radical_unrot.nw [mpiexec@builder1.x64.stream.opencloudos.tech] Launch arguments: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:35779 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PID_LIST [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=init pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_maxes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=init pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_appnum [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=appnum rc=0 appnum=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_my_kvsname [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=my_kvsname rc=0 kvsname=kvs_696150_0_60493633_builder1.x64.stream.opencloudos.tech [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_maxes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_696150_0_60493633_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_appnum [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=appnum rc=0 appnum=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_my_kvsname [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=my_kvsname rc=0 kvsname=kvs_696150_0_60493633_builder1.x64.stream.opencloudos.tech [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_696150_0_60493633_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_RiNDV0 found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_696150_0_60493633_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_696150_0_60493633_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_RiNDV0 found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_696150_0_60493633_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 value=2F6465762F73686D2F6D706963685F736861725F746D70624E366C466600 [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D70624E366C466600 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] flushing 1 put command(s) out [proxy:0:0@builder1.x64.stream.opencloudos.tech] forwarding command upstream: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D70624E366C466600 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D70624E366C466600 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D70624E366C466600 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D70624E366C466600 [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_696150_0_60493633_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=2F6465762F73686D2F6D706963685F736861725F746D70624E366C466600 found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_696150_0_60493633_builder1.x64.stream.opencloudos.tech key=P0-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#47829$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#47829$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_696150_0_60493633_builder1.x64.stream.opencloudos.tech key=P1-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#36091$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#36091$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] flushing 2 put command(s) out [proxy:0:0@builder1.x64.stream.opencloudos.tech] forwarding command upstream: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#47829$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#36091$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#47829$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#36091$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#47829$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#36091$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#47829$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#36091$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT argument 1 = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/ch3radical_unrot/ch3radical_unrot.nw [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================== echo of input deck ============================== echo start ch3radical_unrot title ch3radical_unrot geometry noautoz units angstrom nocenter [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT symmetry c1 c 0.0 0.0 0.0 h 1.028 0.0 -0.350 h -0.514 0.890 -0.350 h -0.514 -0.890 -0.350 end BASIS "ao basis" PRINT * library 6-311G END relativistic zora on zora:cutoff_NMR 1d-8 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT zora:cutoff 1d-30 end dft odft [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] mult 2 xc b3lyp end task dft Sending upstream hdr.cmd = CMD_STDOUT property gshift hyperfine shielding end [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT task dft property ================================================================================ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Northwest Computational Chemistry Package (NWChem) 7.2.2 -------------------------------------------------------- Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Richland, WA 99352 Copyright (c) 1994-2022 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the Educational Community License (ECL) 2.0 A copy of the license is included with this distribution [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT in the LICENSE.TXT file ACKNOWLEDGMENT -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Job information --------------- Sending upstream hdr.cmd = CMD_STDOUT hostname = builder1.x64.stream.opencloudos.tech program = nwchem_binary_mpich date = Tue Jul 23 09:58:13 2024 compiled = Tue_Jul_23_08:39:25_2024 source = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 nwchem branch = 7.2.2 nwchem revision = N/A ga revision = 5.8.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT use scalapack = T input = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/ch3radical_unrot/ch3radical_unrot.nw prefix = ch3radical_unrot. data base = ./ch3radical_unrot.db status = startup nproc = 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT time left = -1s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Memory information ------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT heap = 26214394 doubles = 200.0 Mbytes stack = 26214399 doubles = 200.0 Mbytes global = 52428800 doubles = 400.0 Mbytes (distinct from heap & stack) total = 104857593 doubles = 800.0 Mbytes verify = yes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT hardfail = no Directory information --------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0 permanent = . 0 scratch = . [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ch3radical_unrot ---------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Scaling coordinates for geometry "geometry" by 1.889725989 (inverse scale = 0.529177249) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Turning off AUTOSYM since SYMMETRY directive was detected! [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Geometry "geometry" -> "" ------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 c 6.0000 0.00000000 0.00000000 0.00000000 2 h 1.0000 1.02800000 0.00000000 -0.35000000 3 h 1.0000 -0.51400000 0.89000000 -0.35000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 h 1.0000 -0.51400000 -0.89000000 -0.35000000 Atomic Mass ----------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT c 12.000000 h 1.007825 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Effective nuclear repulsion energy (a.u.) 9.6642548292 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 -1.9842122880 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] XYZ format geometry ------------------- 4 geometry c 0.00000000 0.00000000 0.00000000 Sending upstream hdr.cmd = CMD_STDOUT h 1.02800000 0.00000000 -0.35000000 h -0.51400000 0.89000000 -0.35000000 h -0.51400000 -0.89000000 -0.35000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 h | 1 c | 2.05214 | 1.08595 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 3 h | 1 c | 2.05172 | 1.08572 4 h | 1 c | 2.05172 | 1.08572 ------------------------------------------------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT number of included internuclear distances: 3 ============================================================================== [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] 2 h | 1 c | 3 h | 110.14 2 h | 1 c | 4 h | 110.14 3 h | 1 c | 4 h | 110.12 Sending upstream hdr.cmd = CMD_STDOUT ------------------------------------------------------------------------------ number of included internuclear angles: 3 ============================================================================== [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT library name resolved from: environment library file name is: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Summary of "ao basis" -> "" (cartesian) ------------------------------------------------------------------------------ Sending upstream hdr.cmd = CMD_STDOUT Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- * 6-311G on all atoms [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem DFT Module ----------------- ch3radical_unrot [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Basis "ao basis" -> "ao basis" (cartesian) ----- c (Carbon) ---------- Exponent Coefficients Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------- --------------------------------------------------------- 1 S 4.56324000E+03 0.001967 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 S 6.82024000E+02 0.015231 1 S 1.54973000E+02 0.076127 1 S 4.44553000E+01 0.260801 1 S 1.30290000E+01 0.616462 1 S 1.82773000E+00 0.221006 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 S 2.09642000E+01 0.114660 2 S 4.80331000E+00 0.919999 2 S 1.45933000E+00 -0.003031 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 3 P 2.09642000E+01 0.040249 3 P 4.80331000E+00 0.237594 3 P 1.45933000E+00 0.815854 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 S 4.83456000E-01 1.000000 5 P 4.83456000E-01 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 6 S 1.45585000E-01 1.000000 7 P 1.45585000E-01 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT h (Hydrogen) ------------ Exponent Coefficients -------------- --------------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] 1 S 3.38650000E+01 0.025494 1 S 5.09479000E+00 0.190373 1 S 1.15879000E+00 0.852161 Sending upstream hdr.cmd = CMD_STDOUT 2 S 3.25840000E-01 1.000000 3 S 1.02741000E-01 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ---------------- ------------------------------ ------ --------------------- c 6-311G 7 13 4s3p [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT h 6-311G 3 3 3s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- c 6-311G 7 13 4s3p h 6-311G 3 3 3s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Caching 1-el integrals [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT General Information ------------------- SCF calculation type: DFT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Wavefunction type: spin polarized. No. of atoms : 4 No. of electrons : 9 Alpha electrons : 5 Beta electrons : 4 Charge : 0 Spin multiplicity: 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Use of symmetry is: off; symmetry adaption is: off Maximum number of iterations: 50 AO basis - number of functions: 22 number of shells: 16 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on energy requested: 1.00D-06 Convergence on density requested: 1.00D-05 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on gradient requested: 5.00D-04 XC Information -------------- B3LYP Method XC Potential [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Hartree-Fock (Exact) Exchange 0.200 Slater Exchange Functional 0.800 local Becke 1988 Exchange Functional 0.720 non-local [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Lee-Yang-Parr Correlation Functional 0.810 VWN I RPA Correlation Functional 0.190 local [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid Information ---------------- Grid used for XC integration: medium Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT c 0.70 49 6.0 434 h 0.35 45 7.0 434 Grid pruning is: on Number of quadrature shells: 184 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Spatial weights used: Erf1 Convergence Information ----------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT using up to (NFOCK): 10 stored Fock matrices. Damping( 0%) Levelshifting(0.5) DIIS [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information ------------------------------- Density screening/tol_rho: 1.00D-10 AO Gaussian exp screening on grid/accAOfunc: 14 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT dft: using ZORA [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Superposition of Atomic Density Guess ------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Sum of atomic energies: -39.16798055 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Performing ZORA calculations ---------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Read atomic ZORA corrections from ./ch3radical_unrot.zora_sf [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT dft_zora_read: failed to open./ch3radical_unrot.zora_sf [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Generating atomic ZORA corrections ---------------------------------- In dft_scf:: zora:Knucl= F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid_pts file = ./ch3radical_unrot.gridpts.0 Record size in doubles = 12289 No. of grid_pts per rec = 3070 Max. records in memory = 16 Max. recs in file = 506625431 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Wrote atomic ZORA corrections to ./ch3radical_unrot.zora_sf [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Superposition of Atomic Density Guess ------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Sum of atomic energies: -39.16798055 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Non-variational initial energy ------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Total energy = -39.485764 1-e energy = -70.478707 2-e energy = 21.328688 HOMO = -0.204961 LUMO = 0.110541 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT WARNING: movecs_in_org=atomic not equal to movecs_in=./ch3radical_unrot.movecs Time after variat. SCF: 0.9 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 0.9 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Memory utilization after 1st SCF pass: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Heap Space remaining (MW): 0.00 28 Stack Space remaining (MW): 26.21 26213052 convergence iter energy DeltaE RMS-Dens Diis-err time ---------------- ----- ----------------- --------- --------- --------- ------ d= 0,ls=0.0,diis 1 -39.8388352700 -4.95D+01 4.85D-03 3.54D-02 1.1 4.29D-03 3.67D-02 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 2 -39.8520293379 -1.32D-02 2.38D-03 2.12D-03 1.4 2.04D-03 2.65D-03 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 3 -39.8527214923 -6.92D-04 1.07D-03 1.69D-03 1.6 6.16D-04 8.94D-04 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 4 -39.8534142125 -6.93D-04 8.10D-05 1.99D-06 1.9 1.84D-04 2.72D-05 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 5 -39.8534291648 -1.50D-05 7.98D-05 1.07D-06 2.2 7.29D-05 9.92D-07 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Resetting Diis [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 6 -39.8534309972 -1.83D-06 9.08D-06 1.67D-08 2.4 5.21D-06 5.70D-09 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 7 -39.8534310122 -1.50D-08 1.15D-06 8.67D-11 2.7 4.31D-07 1.21D-10 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT (nogshift,skip_gshiftAOev,done_Fji)=( 1,F,F) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Total DFT energy = -39.853431012229 One electron energy = -71.613639513637 Coulomb energy = 28.594722470166 Exchange-Corr. energy = -6.498768797957 Nuclear repulsion energy = 9.664254829200 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Scaling correction = 0.008762216193 Numeric. integr. density = 9.000000814121 Total iterative time = 2.0s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT DFT Final Alpha Molecular Orbital Analysis ------------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 1 Occ=1.000000D+00 E=-1.019050D+01 MO Center= -5.6D-08, -7.6D-14, -4.0D-05, r^2= 2.8D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 0.564084 1 C s 2 0.462678 1 C s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 2 Occ=1.000000D+00 E=-7.005935D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -1.9D-04, -6.3D-10, -1.9D-01, r^2= 9.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 6 0.486138 1 C s 10 0.360601 1 C s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 -0.176908 1 C s 1 -0.112109 1 C s 14 0.097916 2 H s 17 0.097977 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 20 0.097977 4 H s 15 0.080514 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 0.080545 3 H s 21 0.080545 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 3 Occ=1.000000D+00 E=-4.145960D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 2.4D-01, 6.5D-06, -1.6D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] 7 0.320132 1 C px 15 0.238371 2 H s 3 0.210922 1 C px 11 0.184117 1 C px Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 14 0.175948 2 H s 18 -0.119172 3 H s 21 -0.119166 4 H s 16 0.114405 2 H s 17 -0.087970 3 H s 20 -0.087966 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 4 Occ=1.000000D+00 E=-4.145844D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -2.4D-01, -6.5D-06, -1.6D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 8 0.320136 1 C py 4 0.210946 1 C py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 0.206431 3 H s 21 -0.206434 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 12 0.184113 1 C py 17 0.152381 3 H s 20 -0.152384 4 H s 19 0.099081 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 22 -0.099083 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 5 Occ=1.000000D+00 E=-2.623989D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.7D-06, -3.6D-11, 2.0D-01, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 13 0.458568 1 C pz 9 0.400724 1 C pz 5 0.262111 1 C pz 10 0.210289 1 C s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 6 0.167874 1 C s 2 -0.053794 1 C s 14 -0.039054 2 H s 15 -0.038986 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 17 -0.039038 3 H s 18 -0.038952 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Vector 6 Occ=0.000000D+00 E= 5.462542D-02 Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.9D-04, -3.4D-09, -4.7D-01, r^2= 4.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 1.869119 1 C s 16 -0.920345 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 -0.920013 3 H s 22 -0.920013 4 H s 13 -0.359637 1 C pz 6 0.200562 1 C s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 -0.091963 1 C s 9 -0.084715 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 -0.057918 1 C s 5 -0.055982 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 7 Occ=0.000000D+00 E= 1.189332D-01 MO Center= 7.3D-01, 4.3D-06, -4.9D-01, r^2= 4.3D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 2.003159 2 H s 11 -1.104538 1 C px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 -1.002034 3 H s 22 -1.002023 4 H s 7 -0.231408 1 C px 3 -0.171591 1 C px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 15 0.060282 2 H s 14 0.031845 2 H s 18 -0.030067 3 H s 21 -0.030067 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 8 Occ=0.000000D+00 E= 1.189577D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -7.3D-01, -4.3D-06, -4.9D-01, r^2= 4.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.735456 3 H s 22 -1.735462 4 H s 12 -1.104524 1 C py 8 -0.231376 1 C py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 -0.171578 1 C py 18 0.052138 3 H s 21 -0.052138 4 H s 17 0.027555 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 20 -0.027555 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 9 Occ=0.000000D+00 E= 2.878067D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.5D-01, 2.0D-06, 1.0D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.378680 1 C py 18 -1.075680 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 21 1.075688 4 H s 19 0.263087 3 H s 22 -0.263089 4 H s 17 -0.081883 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 20 0.081884 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 10 Occ=0.000000D+00 E= 2.878348D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -1.5D-01, -2.0D-06, 1.0D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 1.378823 1 C px 15 -1.242531 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 0.620853 3 H s 21 0.620838 4 H s 16 0.304186 2 H s 19 -0.151591 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 22 -0.151587 4 H s 14 -0.094573 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 17 0.047224 3 H s 20 0.047223 4 H s Vector 11 Occ=0.000000D+00 E= 3.862479D-01 MO Center= 1.3D-04, -7.7D-11, -3.7D-01, r^2= 2.5D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 1.370328 1 C pz 10 -1.204596 1 C s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 15 0.706770 2 H s 18 0.707257 3 H s 21 0.707257 4 H s 9 -0.615350 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 5 -0.175899 1 C pz 6 -0.173823 1 C s 2 0.061894 1 C s 14 0.040035 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 12 Occ=0.000000D+00 E= 4.430219D-01 MO Center= -3.4D-04, 7.7D-10, 4.3D-02, r^2= 2.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 10 1.594002 1 C s 15 -1.021564 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 -1.022229 3 H s 21 -1.022229 4 H s 9 -0.652555 1 C pz 16 0.190437 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 0.189040 3 H s 22 0.189040 4 H s 5 -0.182102 1 C pz 13 0.133581 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 13 Occ=0.000000D+00 E= 5.831095D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 2.7D-01, 3.2D-07, -1.8D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 16 -1.862853 2 H s 11 1.776791 1 C px 7 -1.059986 1 C px 19 0.931323 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 22 0.931321 4 H s 15 0.585369 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 -0.293471 3 H s 21 -0.293470 4 H s 3 -0.278098 1 C px 14 0.083002 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 14 Occ=0.000000D+00 E= 5.831533D-01 MO Center= -2.7D-01, -3.2D-07, -1.8D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 12 1.776604 1 C py 19 -1.613531 3 H s 22 1.613532 4 H s 8 -1.060029 1 C py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 0.507649 3 H s 21 -0.507650 4 H s 4 -0.278097 1 C py 17 0.071893 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 20 -0.071893 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 15 Occ=0.000000D+00 E= 7.124775D-01 MO Center= -3.7D-04, 1.5D-09, -2.8D-01, r^2= 2.7D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 4.135305 1 C s 6 -2.118709 1 C s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 16 -0.909470 2 H s 19 -0.910532 3 H s 22 -0.910532 4 H s 13 -0.645792 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 0.266760 1 C s 15 -0.182824 2 H s 18 -0.182543 3 H s 21 -0.182543 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 16 Occ=0.000000D+00 E= 2.154468D+00 MO Center= -1.1D-05, 3.2D-08, -3.3D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 15 1.349950 2 H s 18 1.350097 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 21 1.350097 4 H s 14 -0.861401 2 H s 17 -0.861418 3 H s 20 -0.861418 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 10 -0.800377 1 C s 9 0.387572 1 C pz 5 -0.336527 1 C pz 16 -0.281887 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 17 Occ=0.000000D+00 E= 2.209063D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 5.2D-01, 2.0D-05, -3.6D-01, r^2= 1.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 15 1.752259 2 H s 14 -1.166927 2 H s 16 -0.981979 2 H s 18 -0.876206 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 21 -0.876148 4 H s 7 -0.671501 1 C px 17 0.583453 3 H s 20 0.583415 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 0.490877 3 H s 22 0.490844 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 18 Occ=0.000000D+00 E= 2.209110D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -5.2D-01, -2.0D-05, -3.6D-01, r^2= 1.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 1.517648 3 H s 21 -1.517682 4 H s 17 -1.010636 3 H s 20 1.010658 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 -0.850398 3 H s 22 0.850417 4 H s 8 -0.671204 1 C py 4 0.472946 1 C py 12 0.148122 1 C py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 19 Occ=0.000000D+00 E= 2.622675D+00 MO Center= 2.3D-05, 2.6D-11, -2.1D-02, r^2= 8.5D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.439711 1 C pz 5 -1.270775 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 13 -0.682571 1 C pz 10 0.421150 1 C s 15 -0.312813 2 H s 18 -0.312720 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 21 -0.312720 4 H s 14 0.279041 2 H s 17 0.278976 3 H s 20 0.278976 4 H s Vector 20 Occ=0.000000D+00 E= 2.876303D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.8D-02, 4.7D-07, 1.2D-02, r^2= 9.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] 8 1.611121 1 C py 4 -1.268495 1 C py Sending upstream hdr.cmd = CMD_STDOUT 12 -1.060753 1 C py 17 -0.512971 3 H s 20 0.512979 4 H s 18 0.375134 3 H s 21 -0.375140 4 H s 19 0.368761 3 H s 22 -0.368767 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 21 Occ=0.000000D+00 E= 2.876397D+00 MO Center= -1.7D-02, -4.6D-07, 1.2D-02, r^2= 9.1D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 1.610957 1 C px 3 -1.268444 1 C px 11 -1.060723 1 C px 14 -0.592390 2 H s 15 0.433364 2 H s 16 0.425511 2 H s 17 0.296318 3 H s 20 0.296305 4 H s 18 -0.216749 3 H s 21 -0.216739 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 22 Occ=0.000000D+00 E= 2.325982D+01 MO Center= -3.4D-06, 1.2D-12, -4.4D-03, r^2= 9.5D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 -2.170490 1 C s 1 2.025185 1 C s 10 -0.518164 1 C s 6 0.457663 1 C s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 16 0.105910 2 H s 19 0.105963 3 H s 22 0.105963 4 H s 13 0.066711 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 9 -0.028433 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] DFT Final Beta Molecular Orbital Analysis ----------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 1 Occ=1.000000D+00 E=-1.017506D+01 MO Center= -5.4D-08, -1.6D-13, -1.0D-04, r^2= 2.8D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 0.564595 1 C s 2 0.462694 1 C s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 2 Occ=1.000000D+00 E=-6.647665D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -2.1D-04, -7.0D-10, -2.3D-01, r^2= 9.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 6 0.455930 1 C s 10 0.298531 1 C s 2 -0.167706 1 C s 1 -0.107192 1 C s 15 0.106449 2 H s 18 0.106495 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 21 0.106495 4 H s 14 0.103440 2 H s 17 0.103508 3 H s 20 0.103508 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 3 Occ=1.000000D+00 E=-4.022203D-01 MO Center= 2.6D-01, 6.0D-06, -1.7D-01, r^2= 1.2D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT 7 0.300202 1 C px 15 0.257117 2 H s 3 0.204308 1 C px 14 0.181511 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 11 0.169144 1 C px 16 0.131595 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 -0.128530 3 H s 21 -0.128525 4 H s 17 -0.090744 3 H s 20 -0.090740 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 4 Occ=1.000000D+00 E=-4.022073D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -2.6D-01, -6.0D-06, -1.7D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 0.300207 1 C py 18 0.222657 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 21 -0.222660 4 H s 4 0.204333 1 C py 12 0.169144 1 C py 17 0.157196 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 20 -0.157198 4 H s 19 0.113966 3 H s 22 -0.113968 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 5 Occ=0.000000D+00 E=-8.552260D-02 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 7.0D-06, -8.0D-11, 2.5D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 13 0.592554 1 C pz 9 0.300474 1 C pz 10 0.232930 1 C s 5 0.228794 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 6 0.157126 1 C s 2 -0.056476 1 C s 1 -0.036120 1 C s 14 -0.035492 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 17 -0.035484 3 H s 20 -0.035484 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 6 Occ=0.000000D+00 E= 5.998844D-02 MO Center= 1.2D-04, -3.1D-09, -4.7D-01, r^2= 4.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 10 1.906449 1 C s 16 -0.932514 2 H s 19 -0.932262 3 H s 22 -0.932262 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 13 -0.364070 1 C pz 6 0.179229 1 C s 2 -0.089983 1 C s 9 -0.086907 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 -0.057449 1 C s 5 -0.057224 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 7 Occ=0.000000D+00 E= 1.250031D-01 MO Center= 7.3D-01, 6.5D-06, -5.0D-01, r^2= 4.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 2.039867 2 H s 11 -1.097168 1 C px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 -1.020333 3 H s 22 -1.020317 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 7 -0.219086 1 C px 3 -0.171183 1 C px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 8 Occ=0.000000D+00 E= 1.250257D-01 MO Center= -7.3D-01, -6.5D-06, -5.0D-01, r^2= 4.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 19 1.767212 3 H s 22 -1.767221 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 12 -1.097155 1 C py 8 -0.219055 1 C py 4 -0.171171 1 C py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 9 Occ=0.000000D+00 E= 2.955507D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.6D-01, 1.9D-06, 1.1D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.419878 1 C py 18 -1.071804 3 H s 21 1.071812 4 H s 19 0.206214 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 22 -0.206216 4 H s 17 -0.080998 3 H s 20 0.080998 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 10 Occ=0.000000D+00 E= 2.955808D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -1.6D-01, -1.9D-06, 1.1D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 11 1.420026 1 C px 15 -1.238074 2 H s 18 0.618594 3 H s 21 0.618581 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 16 0.238522 2 H s 19 -0.118759 3 H s 22 -0.118757 4 H s 14 -0.093553 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 17 0.046711 3 H s 20 0.046711 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 11 Occ=0.000000D+00 E= 4.247060D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.3D-05, 2.3D-10, -7.0D-01, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 10 1.880908 1 C s 13 -1.132212 1 C pz 15 -1.097154 2 H s 18 -1.097916 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 21 -1.097916 4 H s 9 0.273764 1 C pz 6 0.141479 1 C s 5 0.082921 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 -0.076990 1 C s 14 -0.069767 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 12 Occ=0.000000D+00 E= 4.873420D-01 MO Center= -2.1D-04, 4.6D-10, 3.3D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 0.917521 1 C pz 13 -0.737654 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 10 -0.625886 1 C s 15 0.572695 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 0.573029 3 H s 21 0.573029 4 H s 5 0.253689 1 C pz 16 -0.223946 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 -0.222966 3 H s 22 -0.222966 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 13 Occ=0.000000D+00 E= 5.962090D-01 MO Center= 2.6D-01, 3.2D-07, -1.8D-01, r^2= 2.9D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 -1.832832 2 H s 11 1.753172 1 C px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 7 -1.070695 1 C px 19 0.916392 3 H s 22 0.916390 4 H s 15 0.589100 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 -0.295375 3 H s 21 -0.295374 4 H s 3 -0.281737 1 C px 14 0.079522 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 14 Occ=0.000000D+00 E= 5.962529D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -2.6D-01, -3.2D-07, -1.8D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 12 1.752989 1 C py 19 -1.587574 3 H s 22 1.587575 4 H s 8 -1.070736 1 C py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 0.510902 3 H s 21 -0.510902 4 H s 4 -0.281736 1 C py 17 0.068880 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 20 -0.068880 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 15 Occ=0.000000D+00 E= 7.395418D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -3.2D-04, 1.4D-09, -2.4D-01, r^2= 2.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 10 4.127552 1 C s 6 -2.130446 1 C s 16 -0.887272 2 H s 19 -0.888239 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 22 -0.888239 4 H s 13 -0.593546 1 C pz 2 0.269399 1 C s 15 -0.201793 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 18 -0.201558 3 H s 21 -0.201558 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 16 Occ=0.000000D+00 E= 2.157041D+00 MO Center= 1.5D-05, 3.1D-08, -3.4D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 15 1.358809 2 H s 18 1.358912 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 21 1.358912 4 H s 14 -0.869339 2 H s 17 -0.869328 3 H s 20 -0.869328 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 10 -0.813066 1 C s 9 0.337807 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 5 -0.299852 1 C pz 16 -0.280942 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 17 Occ=0.000000D+00 E= 2.209268D+00 MO Center= 5.2D-01, 1.9D-05, -3.6D-01, r^2= 1.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 15 1.755486 2 H s 14 -1.170507 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 16 -0.977103 2 H s 18 -0.877847 3 H s 21 -0.877791 4 H s 7 -0.658184 1 C px 17 0.585261 3 H s 20 0.585224 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 0.488442 3 H s 22 0.488411 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 18 Occ=0.000000D+00 E= 2.209313D+00 MO Center= -5.2D-01, -1.9D-05, -3.6D-01, r^2= 1.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 18 1.520456 3 H s 21 -1.520489 4 H s 17 -1.013744 3 H s 20 1.013766 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 -0.846177 3 H s 22 0.846195 4 H s 8 -0.657888 1 C py 4 0.465765 1 C py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 12 0.137440 1 C py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 19 Occ=0.000000D+00 E= 2.691737D+00 MO Center= 1.8D-05, 9.1D-11, -1.0D-02, r^2= 8.1D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.440772 1 C pz 5 -1.283405 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 13 -0.669122 1 C pz 10 0.416347 1 C s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 15 -0.274666 2 H s 18 -0.274572 3 H s 21 -0.274572 4 H s 14 0.252576 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 17 0.252503 3 H s 20 0.252503 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 20 Occ=0.000000D+00 E= 2.892051D+00 MO Center= 1.9D-02, 4.9D-07, 1.3D-02, r^2= 9.0D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.615069 1 C py 4 -1.271362 1 C py 12 -1.057268 1 C py 17 -0.506266 3 H s 20 0.506273 4 H s 19 0.372187 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 22 -0.372193 4 H s 18 0.364555 3 H s 21 -0.364560 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 21 Occ=0.000000D+00 E= 2.892143D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -1.9D-02, -4.9D-07, 1.3D-02, r^2= 9.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 7 1.614909 1 C px 3 -1.271314 1 C px 11 -1.057240 1 C px 14 -0.584640 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 16 0.429468 2 H s 15 0.421142 2 H s 17 0.292450 3 H s 20 0.292437 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 -0.214855 3 H s 22 -0.214846 4 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 22 Occ=0.000000D+00 E= 2.327772D+01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -3.4D-06, 1.1D-12, -4.3D-03, r^2= 9.5D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 -2.170655 1 C s 1 2.025044 1 C s 10 -0.518079 1 C s 6 0.458038 1 C s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 16 0.105876 2 H s 19 0.105929 3 H s 22 0.105929 4 H s 13 0.066491 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 9 -0.027978 1 C pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT alpha - beta orbital overlaps ----------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT alpha 1 2 3 4 5 6 7 8 9 10 beta 1 2 3 4 5 6 7 8 9 10 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT overlap 1.000 0.998 1.000 1.000 0.992 1.000 0.999 0.999 0.999 0.999 alpha 11 12 13 14 15 16 17 18 19 20 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT beta 11 12 13 14 15 16 17 18 19 20 overlap 0.884 0.884 1.000 1.000 0.998 1.000 1.000 1.000 0.999 1.000 alpha 21 22 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT beta 21 22 overlap 1.000 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------------------- Expectation value of S2: -------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT = 0.7524 (Exact = 0.7500) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT center of mass [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------- x = 0.00000000 y = 0.00000000 z = -0.13310760 moments of inertia (a.u.) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------ 6.758003267265 0.000000000000 0.000000000000 0.000000000000 6.761515898966 0.000000000000 0.000000000000 0.000000000000 11.406609230869 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Multipole analysis of the density --------------------------------- L x y z total alpha beta nuclear [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT - - - - ----- ----- ---- ------- 0 0 0 0 -0.000000 -5.000000 -4.000000 9.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 1 0 0 -0.000106 -0.000046 -0.000060 0.000000 1 0 1 0 0.000000 0.000000 0.000000 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 0 0 1 -0.287593 0.591812 1.104807 -1.984212 2 2 0 0 -5.637954 -5.973483 -5.325237 5.660765 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 1 1 0 -0.000000 -0.000000 0.000000 0.000000 2 1 0 1 0.000046 0.000071 -0.000025 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 0 2 0 -5.638759 -5.972192 -5.323847 5.657280 2 0 1 1 0.000000 -0.000000 0.000000 0.000000 2 0 0 2 -6.288263 -4.942514 -2.658115 1.312366 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Task times cpu: 2.8s wall: 3.0s Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem Property Module ---------------------- ch3radical_unrot [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT itol2e modified to match energy convergence criterion. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem DFT Module ----------------- ch3radical_unrot [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- c 6-311G 7 13 4s3p h 6-311G 3 3 3s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Caching 1-el integrals [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT itol2e modified to match energy convergence criterion. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT General Information ------------------- SCF calculation type: DFT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Wavefunction type: spin polarized. No. of atoms : 4 No. of electrons : 9 Alpha electrons : 5 Beta electrons : 4 Charge : 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Spin multiplicity: 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Use of symmetry is: off; symmetry adaption is: off Maximum number of iterations: 50 AO basis - number of functions: 22 number of shells: 16 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on energy requested: 1.00D-07 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT XC Information -------------- B3LYP Method XC Potential Hartree-Fock (Exact) Exchange 0.200 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Slater Exchange Functional 0.800 local Becke 1988 Exchange Functional 0.720 non-local Lee-Yang-Parr Correlation Functional 0.810 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT VWN I RPA Correlation Functional 0.190 local Grid Information ---------------- Grid used for XC integration: fine [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT c 0.70 70 7.0 590 h 0.35 60 8.0 590 Grid pruning is: on Number of quadrature shells: 250 Spatial weights used: Erf1 Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 50 iters 50 iters [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Screening Tolerance Information ------------------------------- Density screening/tol_rho: 1.00D-11 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT AO Gaussian exp screening on grid/accAOfunc: 16 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT dft: using ZORA Superposition of Atomic Density Guess ------------------------------------- Sum of atomic energies: -39.16798055 Performing ZORA calculations ---------------------------- Read atomic ZORA corrections from ./ch3radical_unrot.zora_sf [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Loading old vectors from job with title : ch3radical_unrot [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time after variat. SCF: 3.1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 3.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDERR [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_EXIT_STATUS ################################################################################ Program received signal SIGFPE: Floating-point exception - erroneous arithmetic operation. Backtrace for this error: #0 0x7f9a91e23862 in ??? #1 0x7f9a91e229f5 in ??? #2 0x7f9a91c54acf in ??? #3 0x7f9a840f2eb7 in ??? #4 0x7f9a83fea7bf in ??? #5 0x4621c8f in ??? #6 0x7c4d49 in ??? #7 0x737210 in ??? #8 0x864259 in ??? #9 0x85ded5 in grid_loop_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/grid/grid_loop.F:335 #10 0x861aa9 in ??? #11 0x731da3 in ??? #12 0x7339f1 in ??? #13 0x6e8e06 in xc_getvxc_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getvxc.F:189 #14 0x6e890b in xc_getv_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/xc/xc_getv.F:459 #15 0x68cc5b in dft_fockbld_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_fockbld.F:442 #16 0x684717 in dft_scf_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_scf.F:1304 #17 0x67f24f in dft_main0d_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/scf_dft/dft_main0d.F:581 #18 0x6736e6 in nwdft_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:412 #19 0x673a81 in dft_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwdft/nwdft.F:18 #20 0x426664 in task_energy_doit_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:301 #21 0x4280b3 in task_energy_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_energy.F:122 #22 0xbf3fb9 in ??? #23 0xbec814 in ??? #24 0x41b2c3 in task_property_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task_property.F:31 #25 0x417210 in task_ at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/task/task.F:381 #26 0x40e1fd in nwchem at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:331 #27 0x40e743 in main at /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/src/nwchem.F:415 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich: line 3: 696154 Floating point exception(core dumped) nwchem_binary_mpich "$@" ################################################################################ ../testoutputs.doafewqmtests.mpi.2_mpich.log/prop_ch3f.out ################################################################################ host: builder1.x64.stream.opencloudos.tech [mpiexec@builder1.x64.stream.opencloudos.tech] Timeout set to -1 (-1 means infinite) ================================================================================================== mpiexec options: ---------------- Base path: /usr/lib64/mpich/bin/ Launcher: (null) Debug level: 1 Enable X: -1 Global environment: ------------------- NWCHEM_TARGET=LINUX64 SHELL=/bin/bash RPM_SOURCE_DIR=/builddir/build/SOURCES HISTCONTROL=ignoredups MPI_LIB=/usr/lib64/mpich/lib OMPI_MCA_rmaps_base_oversubscribe=1 PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig HOSTNAME=builder1.x64.stream.opencloudos.tech HISTSIZE=1000 _ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo= __LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1 OMPI_MCA_btl=^uct HYDRA_DEBUG=0 LMOD_DIR=/usr/share/lmod/lmod/libexec FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir LOGNAME=mockbuild MODULESHOME=/usr/share/lmod/lmod MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man MPI_COMPILER=mpich-x86_64 MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich CXX=g++ CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection MPI_INCLUDE=/usr/include/mpich-x86_64 RPM_ARCH=x86_64 MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich MPI_HOME=/usr/lib64/mpich __LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1 LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 HOME=/builddir _ModuleTable_Sz_=2 LANG=C __LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1 RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 LMOD_SETTARG_FULL_SUPPORT=no PROMPT_COMMAND=printf "\033]0;\007" RPM_PACKAGE_RELEASE=1.ocs23 LMOD_VERSION=8.7.31 MPI_SYSCONFIG=/etc/mpich-x86_64 RPM_OS=linux NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/ USE_LIBXC=True MODULEPATH_ROOT=/usr/share/modulefiles LT_SYS_LIBRARY_PATH=/usr/lib64: MALLOC_PERTURB_=102 MPI_SUFFIX=_mpich FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules LMOD_PKG=/usr/share/lmod/lmod TERM=vt100 FLEXIBLAS=openblas-openmp LESSOPEN=||/usr/bin/lesspipe.sh %s USER=mockbuild TIMEOUT_OPTS=--preserve-status --kill-after 10 1800 NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/ MPI_PYTHON_SITEARCH=@py2sitearch@/mpich LOADEDMODULES=mpi/mpich-x86_64 LMOD_ROOT=/usr/share/lmod SHLVL=3 RPM_BUILD_DIR=/builddir/build/BUILD BASH_ENV=/usr/share/lmod/lmod/init/bash LMOD_sys=Linux MPI_BIN=/usr/lib64/mpich/bin RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection __LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1 NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich RPM_DOC_DIR=/usr/share/doc _ModuleTable001_=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 LD_LIBRARY_PATH=/usr/lib64/mpich/lib MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec OMPI_MCA_btl_base_warn_component_unused=0 RPM_PACKAGE_VERSION=7.2.2 MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich MPI_MAN=/usr/share/man/mpich-x86_64 which_declare=declare -f MPIRUN_NPOPT=-verbose -np CONFIG_SITE=NONE PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core CC=gcc _LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64 CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod MAIL=/var/spool/mail/mockbuild __LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1 RPM_BUILD_NCPUS=32 RPM_PACKAGE_NAME=nwchem NPROC=2 RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" } BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ } BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status } _=/usr/lib64/mpich/bin/mpiexec Hydra internal environment: --------------------------- GFORTRAN_UNBUFFERED_PRECONNECTED=y Proxy information: ********************* [1] proxy: builder1.x64.stream.opencloudos.tech (1 cores) Exec list: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich (2 processes); ================================================================================================== [mpiexec@builder1.x64.stream.opencloudos.tech] Got a control port string of builder1.x64.stream.opencloudos.tech:46859 Proxy launch args: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:46859 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id Arguments being passed to proxy 0: --version 4.1.1 --iface-ip-env-name MPIR_CVAR_CH3_INTERFACE_HOSTNAME --hostname builder1.x64.stream.opencloudos.tech --global-core-map 0,1,1 --pmi-id-map 0,0 --global-process-count 2 --auto-cleanup 1 --pmi-kvsname kvs_696261_0_377350578_builder1.x64.stream.opencloudos.tech --pmi-process-mapping (vector,(0,1,2)) --global-inherited-env 93 'NWCHEM_TARGET=LINUX64' 'SHELL=/bin/bash' 'RPM_SOURCE_DIR=/builddir/build/SOURCES' 'HISTCONTROL=ignoredups' 'MPI_LIB=/usr/lib64/mpich/lib' 'OMPI_MCA_rmaps_base_oversubscribe=1' 'PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig' 'HOSTNAME=builder1.x64.stream.opencloudos.tech' 'HISTSIZE=1000' '_ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo=' '__LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1' 'OMPI_MCA_btl=^uct' 'HYDRA_DEBUG=0' 'LMOD_DIR=/usr/share/lmod/lmod/libexec' 'FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir' 'LOGNAME=mockbuild' 'MODULESHOME=/usr/share/lmod/lmod' 'MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man' 'MPI_COMPILER=mpich-x86_64' 'MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich' 'CXX=g++' 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'MPI_INCLUDE=/usr/include/mpich-x86_64' 'RPM_ARCH=x86_64' 'MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich' 'MPI_HOME=/usr/lib64/mpich' '__LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' 'LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'HOME=/builddir' '_ModuleTable_Sz_=2' 'LANG=C' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' 'RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'LMOD_SETTARG_FULL_SUPPORT=no' 'PROMPT_COMMAND=printf "\033]0;\007"' 'RPM_PACKAGE_RELEASE=1.ocs23' 'LMOD_VERSION=8.7.31' 'MPI_SYSCONFIG=/etc/mpich-x86_64' 'RPM_OS=linux' 'NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/' 'USE_LIBXC=True' 'MODULEPATH_ROOT=/usr/share/modulefiles' 'LT_SYS_LIBRARY_PATH=/usr/lib64:' 'MALLOC_PERTURB_=102' 'MPI_SUFFIX=_mpich' 'FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'LMOD_PKG=/usr/share/lmod/lmod' 'TERM=vt100' 'FLEXIBLAS=openblas-openmp' 'LESSOPEN=||/usr/bin/lesspipe.sh %s' 'USER=mockbuild' 'TIMEOUT_OPTS=--preserve-status --kill-after 10 1800' 'NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/' 'MPI_PYTHON_SITEARCH=@py2sitearch@/mpich' 'LOADEDMODULES=mpi/mpich-x86_64' 'LMOD_ROOT=/usr/share/lmod' 'SHLVL=3' 'RPM_BUILD_DIR=/builddir/build/BUILD' 'BASH_ENV=/usr/share/lmod/lmod/init/bash' 'LMOD_sys=Linux' 'MPI_BIN=/usr/lib64/mpich/bin' 'RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' '__LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1' 'NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich' 'RPM_DOC_DIR=/usr/share/doc' '_ModuleTable001_=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' 'LD_LIBRARY_PATH=/usr/lib64/mpich/lib' 'MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec' 'OMPI_MCA_btl_base_warn_component_unused=0' 'RPM_PACKAGE_VERSION=7.2.2' 'MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich' 'MPI_MAN=/usr/share/man/mpich-x86_64' 'which_declare=declare -f' 'MPIRUN_NPOPT=-verbose -np' 'CONFIG_SITE=NONE' 'PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core' 'CC=gcc' '_LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64' 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod' 'MAIL=/var/spool/mail/mockbuild' '__LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1' 'RPM_BUILD_NCPUS=32' 'RPM_PACKAGE_NAME=nwchem' 'NPROC=2' 'RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64' 'OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA' 'BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" }' 'BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ }' 'BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status }' '_=/usr/lib64/mpich/bin/mpiexec' --global-user-env 0 --global-system-env 1 'GFORTRAN_UNBUFFERED_PRECONNECTED=y' --proxy-core-count 1 --exec --exec-appnum 0 --exec-proc-count 2 --exec-local-env 0 --exec-wdir /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir --exec-args 2 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/prop_ch3f/prop_ch3f.nw [mpiexec@builder1.x64.stream.opencloudos.tech] Launch arguments: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:46859 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id 0 cmd=init pmi_version=1 pmi_subversion=1 cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 cmd=get_maxes cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 cmd=get_appnum cmd=appnum rc=0 appnum=0 cmd=get_my_kvsname cmd=my_kvsname rc=0 kvsname=kvs_696261_0_377350578_builder1.x64.stream.opencloudos.tech cmd=get kvsname=kvs_696261_0_377350578_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE cmd=init pmi_version=1 pmi_subversion=1 cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 cmd=get kvsname=kvs_696261_0_377350578_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_e35FhA found=TRUE cmd=get_maxes cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 cmd=get_appnum cmd=appnum rc=0 appnum=0 cmd=get_my_kvsname cmd=my_kvsname rc=0 kvsname=kvs_696261_0_377350578_builder1.x64.stream.opencloudos.tech cmd=get kvsname=kvs_696261_0_377350578_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE cmd=get kvsname=kvs_696261_0_377350578_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_e35FhA found=TRUE cmd=put kvsname=kvs_696261_0_377350578_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 value=2F6465762F73686D2F6D706963685F736861725F746D704E4D6368725600 cmd=put_result rc=0 cmd=barrier_in cmd=barrier_in cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704E4D6368725600 cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704E4D6368725600 [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704E4D6368725600 cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704E4D6368725600 [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out cmd=barrier_out cmd=barrier_out cmd=get kvsname=kvs_696261_0_377350578_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 cmd=get_result rc=0 value=2F6465762F73686D2F6D706963685F736861725F746D704E4D6368725600 found=TRUE cmd=put kvsname=kvs_696261_0_377350578_builder1.x64.stream.opencloudos.tech key=P0-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#60883$ifname#172.16.0.28$ cmd=put_result rc=0 cmd=put kvsname=kvs_696261_0_377350578_builder1.x64.stream.opencloudos.tech key=P1-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#60079$ifname#172.16.0.28$ cmd=put_result rc=0 cmd=barrier_in cmd=barrier_in cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#60883$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#60079$ifname#172.16.0.28$ cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#60883$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#60079$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#60883$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#60079$ifname#172.16.0.28$ cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#60883$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#60079$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out cmd=barrier_out cmd=barrier_out cmd=barrier_in cmd=barrier_in cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out cmd=barrier_out cmd=barrier_out argument 1 = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/prop_ch3f/prop_ch3f.nw ============================== echo of input deck ============================== echo start ch3f title ch3f geometry c 0.0 0.0 0.0 f 0.0 0.0 1.383 h 1.028 0.0 -0.350 h -0.514 0.890 -0.350 h -0.514 -0.890 -0.350 end basis * library 6-311G end charge 0 property mulliken dipole quadrupole octupole esp efield efieldgrad electrondensity shielding end scf direct end task scf property dft direct xc b3lyp end task dft property dft xc becke88 perdew86 end task dft property ================================================================================ Northwest Computational Chemistry Package (NWChem) 7.2.2 -------------------------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352 Copyright (c) 1994-2022 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the Educational Community License (ECL) 2.0 A copy of the license is included with this distribution in the LICENSE.TXT file ACKNOWLEDGMENT -------------- This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing. Job information --------------- hostname = builder1.x64.stream.opencloudos.tech program = nwchem_binary_mpich date = Tue Jul 23 09:58:19 2024 compiled = Tue_Jul_23_08:39:25_2024 source = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 nwchem branch = 7.2.2 nwchem revision = N/A ga revision = 5.8.0 Sending upstream hdr.cmd = CMD_STDOUT input = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/prop_ch3f/prop_ch3f.nw prefix = ch3f. data base = ./ch3f.db status = startup nproc = 2 Sending upstream hdr.cmd = CMD_STDOUT time left = -1s Memory information ------------------ heap = 26214400 doubles = 200.0 Mbytes stack = 26214397 doubles = 200.0 Mbytes global = 52428800 doubles = 400.0 Mbytes (distinct from heap & stack) total = 104857597 doubles = 800.0 Mbytes verify = yes hardfail = no Directory information --------------------- Sending upstream hdr.cmd = CMD_STDOUT 0 scratch = . Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- ch3f ---- Scaling coordinates for geometry "geometry" by 1.889725989 (inverse scale = 0.529177249) C3V symmetry detected ------ auto-z ------ Looking for out-of-plane bends no constraints, skipping 0.0000000000000000 no constraints, skipping 0.0000000000000000 Geometry "geometry" -> "" ------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 c 6.0000 0.00000000 0.00000000 0.63316667 2 f 9.0000 0.00000000 0.00000000 -0.74983333 3 h 1.0000 0.72679386 0.72679386 0.98316667 4 h 1.0000 0.26602502 -0.99281888 0.98316667 5 h 1.0000 -0.99281888 0.26602502 0.98316667 Atomic Mass ----------- c 12.000000 f 18.998400 h 1.007825 Effective nuclear repulsion energy (a.u.) 37.4174025709 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- -0.0000000000 -0.0000000000 -0.0000000000 Symmetry information -------------------- Group name C3v Group number 17 Group order 6 No. of unique centers 3 Symmetry unique atoms 1 2 3 Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Type Name I J K L M Value ----------- -------- ----- ----- ----- ----- ----- ---------- 1 Stretch 1 2 1.38300 2 Stretch 1 3 1.08580 4 Stretch 1 5 1.08580 5 Bend 2 1 3 108.80470 Sending upstream hdr.cmd = CMD_STDOUT 6 Bend 2 1 4 108.80470 7 Bend 2 1 5 108.80470 8 Bend 3 1 4 110.12944 9 Bend 3 1 5 110.12944 10 Bend 4 1 5 110.12944 XYZ format geometry ------------------- 5 geometry c 0.00000000 0.00000000 0.63316667 f 0.00000000 0.00000000 -0.74983333 h 0.72679386 0.72679386 0.98316667 h 0.26602502 -0.99281888 0.98316667 h -0.99281888 0.26602502 0.98316667 ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 f | 1 c | 2.61349 | 1.38300 3 h | 1 c | 2.05186 | 1.08580 4 h | 1 c | 2.05186 | 1.08580 5 h | 1 c | 2.05186 | 1.08580 ------------------------------------------------------------------------------ number of included internuclear distances: 4 ============================================================================== ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 f | 1 c | 3 h | 108.80 2 f | 1 c | 4 h | 108.80 2 f | 1 c | 5 h | 108.80 3 h | 1 c | 4 h | 110.13 3 h | 1 c | 5 h | 110.13 4 h | 1 c | 5 h | 110.13 ------------------------------------------------------------------------------ number of included internuclear angles: 6 ============================================================================== library name resolved from: environment library file name is: Summary of "ao basis" -> "" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- * 6-311G on all atoms NWChem Property Module ---------------------- ch3f ----- c (Carbon) ---------- Exponent Coefficients Sending upstream hdr.cmd = CMD_STDOUT -------------- --------------------------------------------------------- 1 S 4.56324000E+03 0.001967 1 S 6.82024000E+02 0.015231 1 S 1.54973000E+02 0.076127 1 S 4.44553000E+01 0.260801 1 S 1.30290000E+01 0.616462 1 S 1.82773000E+00 0.221006 2 S 2.09642000E+01 0.114660 2 S 4.80331000E+00 0.919999 2 S 1.45933000E+00 -0.003031 3 P 2.09642000E+01 0.040249 3 P 4.80331000E+00 0.237594 3 P 1.45933000E+00 0.815854 4 S 4.83456000E-01 1.000000 5 P 4.83456000E-01 1.000000 6 S 1.45585000E-01 1.000000 7 P 1.45585000E-01 1.000000 f (Fluorine) ------------ Exponent Coefficients -------------- --------------------------------------------------------- 1 S 1.14271000E+04 0.001801 1 S 1.72235000E+03 0.013742 1 S 3.95746000E+02 0.068133 1 S 1.15139000E+02 0.233325 1 S 3.36026000E+01 0.589086 1 S 4.91901000E+00 0.299505 2 S 5.54441000E+01 0.114536 2 S 1.26323000E+01 0.920512 2 S 3.71756000E+00 -0.003378 3 P 5.54441000E+01 0.035461 3 P 1.26323000E+01 0.237451 3 P 3.71756000E+00 0.820458 4 S 1.16545000E+00 1.000000 5 P 1.16545000E+00 1.000000 6 S 3.21892000E-01 1.000000 7 P 3.21892000E-01 1.000000 h (Hydrogen) ------------ Exponent Coefficients -------------- --------------------------------------------------------- 1 S 3.38650000E+01 0.025494 1 S 5.09479000E+00 0.190373 2 S 3.25840000E-01 1.000000 Sending upstream hdr.cmd = CMD_STDOUT Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- c 6-311G 7 13 4s3p f 6-311G 7 13 4s3p h 6-311G 3 3 3s ----------------- ch3f Sending upstream hdr.cmd = CMD_STDOUT ao basis = "ao basis" functions = 35 atoms = 5 closed shells = 9 open shells = 0 charge = 0.00 wavefunction = RHF input vectors = atomic output vectors = ./ch3f.movecs use symmetry = F symmetry adapt = F Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- c 6-311G 7 13 4s3p f 6-311G 7 13 4s3p h 6-311G 3 3 3s Forming initial guess at 0.1s Superposition of Atomic Density Guess ------------------------------------- Sum of atomic energies: -138.57325452 Non-variational initial energy ------------------------------ Total energy = -139.229769 1-e energy = -264.952728 2-e energy = 88.305556 HOMO = -0.441641 LUMO = 0.112239 Starting SCF solution at 0.1s ---------------------------------------------- Quadratically convergent ROHF Convergence threshold : 1.000E-04 Maximum no. of iterations : 30 Sending upstream hdr.cmd = CMD_STDOUT Final Fock-matrix accuracy: 1.000E-07 ---------------------------------------------- iter energy gnorm gmax time ----- ------------------- --------- --------- -------- 1 -139.0051722618 6.86D-01 2.77D-01 0.1 2 -139.0318855948 2.35D-01 7.35D-02 0.3 3 -139.0351204533 1.29D-02 4.31D-03 0.5 4 -139.0351344508 5.41D-05 1.73D-05 0.9 Final RHF results ------------------ Total SCF energy = -139.035134450772 One-electron energy = -266.442690148870 Two-electron energy = 89.990153127198 Nuclear repulsion energy = 37.417402570901 Time for solution = 0.8s Final eigenvalues ----------------- 1 1 -26.2638 2 -11.3129 3 -1.5833 4 -0.9619 5 -0.6942 6 -0.6942 7 -0.6589 8 -0.5310 9 -0.5310 10 0.1545 11 0.2154 12 0.2154 13 0.2617 14 0.4526 15 0.4526 16 0.6520 17 0.6849 18 0.7617 19 0.7617 ROHF Final Molecular Orbital Analysis ------------------------------------- Vector 2 Occ=2.000000D+00 E=-1.131289D+01 MO Center= -3.3D-11, -3.3D-11, 6.3D-01, r^2= 2.7D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1 0.563407 1 C s 2 0.466570 1 C s Vector 3 Occ=2.000000D+00 E=-1.583259D+00 MO Center= -3.3D-09, -3.3D-09, -6.0D-01, r^2= 4.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 0.584292 2 F s 23 0.481393 2 F s 15 -0.199779 2 F s Vector 4 Occ=2.000000D+00 E=-9.619482D-01 MO Center= -4.5D-08, -4.5D-08, 5.4D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.458290 1 C s 10 0.323898 1 C s 23 -0.208991 2 F s 19 -0.170804 2 F s 2 -0.169340 1 C s Vector 5 Occ=2.000000D+00 E=-6.941597D-01 MO Center= -5.1D-02, -5.1D-02, -1.4D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 0.246032 2 F px 21 -0.246032 2 F py 24 0.215812 2 F px 25 -0.215812 2 F py 16 0.162597 2 F px 17 -0.162597 2 F py 7 0.160413 1 C px 8 -0.160413 1 C py Vector 6 Occ=2.000000D+00 E=-6.941597D-01 MO Center= 5.1D-02, 5.1D-02, -1.4D-01, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 0.246032 2 F px 21 0.246032 2 F py 24 0.215812 2 F px 25 0.215812 2 F py 16 0.162597 2 F px 17 0.162597 2 F py 7 0.160413 1 C px 8 0.160413 1 C py Vector 7 Occ=2.000000D+00 E=-6.589155D-01 MO Center= -1.6D-07, -1.6D-07, -2.4D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 22 0.365895 2 F pz 26 0.338440 2 F pz 9 -0.250942 1 C pz 18 0.237370 2 F pz Vector 8 Occ=2.000000D+00 E=-5.310414D-01 MO Center= 1.2D-01, 1.2D-01, 2.1D-01, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 0.256383 3 H s 24 -0.233103 2 F px 25 -0.233103 2 F py 20 -0.217866 2 F px 21 -0.217866 2 F py 7 0.181596 1 C px 8 0.181596 1 C py MO Center= -1.2D-01, -1.2D-01, 2.1D-01, r^2= 1.6D+00 Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 24 0.233103 2 F px 25 -0.233103 2 F py 31 -0.222034 4 H s 34 0.222034 5 H s 20 0.217866 2 F px 21 -0.217866 2 F py 7 -0.181596 1 C px 8 0.181596 1 C py Vector 10 Occ=0.000000D+00 E= 1.544865D-01 MO Center= -6.0D-07, -6.0D-07, 1.2D+00, r^2= 5.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 2.052194 1 C s 29 -0.987349 3 H s 32 -0.987350 4 H s 35 -0.987350 5 H s 13 0.314903 1 C pz Vector 11 Occ=0.000000D+00 E= 2.153532D-01 MO Center= -5.7D-01, -5.7D-01, 1.2D+00, r^2= 4.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.893025 4 H s 35 -1.893025 5 H s 11 -0.796271 1 C px 12 0.796272 1 C py Vector 12 Occ=0.000000D+00 E= 2.153533D-01 MO Center= 5.7D-01, 5.7D-01, 1.2D+00, r^2= 4.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 29 2.185877 3 H s 32 -1.092938 4 H s 35 -1.092938 5 H s 11 -0.796271 1 C px 12 -0.796271 1 C py MO Center= 3.8D-09, 3.8D-09, 6.4D-01, r^2= 2.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT 13 1.333847 1 C pz 23 0.929381 2 F s 26 0.480378 2 F pz 10 -0.403817 1 C s 28 -0.175790 3 H s 31 -0.175790 4 H s 34 -0.175790 5 H s 9 0.171379 1 C pz 22 0.160501 2 F pz Vector 14 Occ=0.000000D+00 E= 4.525764D-01 MO Center= 2.0D-01, 2.0D-01, 6.2D-01, r^2= 2.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 1.263609 1 C px 12 -1.263609 1 C py 31 -1.150560 4 H s 34 1.150559 5 H s 24 -0.222769 2 F px 25 0.222769 2 F py Vector 15 Occ=0.000000D+00 E= 4.525765D-01 MO Center= -2.0D-01, -2.0D-01, 6.2D-01, r^2= 2.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 -1.328551 3 H s 11 1.263611 1 C px 12 1.263611 1 C py 31 0.664276 4 H s 34 0.664276 5 H s 24 -0.222769 2 F px 25 -0.222769 2 F py Vector 16 Occ=0.000000D+00 E= 6.520480D-01 MO Center= 8.7D-07, 8.7D-07, 8.3D-01, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 2.005282 1 C s 28 -1.088103 3 H s 31 -1.088101 4 H s 34 -1.088101 5 H s 13 0.753276 1 C pz 9 -0.445741 1 C pz 6 0.435164 1 C s 26 -0.435408 2 F pz 23 -0.231204 2 F s 19 -0.197993 2 F s MO Center= 3.1D-07, 3.1D-07, 4.2D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function Sending upstream hdr.cmd = CMD_STDOUT 10 1.348182 1 C s 9 0.930000 1 C pz 13 -0.773285 1 C pz 28 -0.746808 3 H s Sending upstream hdr.cmd = CMD_STDOUT 31 -0.746806 4 H s 34 -0.746806 5 H s 23 -0.486184 2 F s 5 0.241995 1 C pz 6 -0.213668 1 C s 22 0.188850 2 F pz Vector 18 Occ=0.000000D+00 E= 7.616894D-01 MO Center= -1.7D-01, -1.7D-01, 8.3D-01, r^2= 2.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.527114 4 H s 35 -1.527113 5 H s 11 -1.245301 1 C px 12 1.245301 1 C py 7 0.798568 1 C px 8 -0.798568 1 C py 31 -0.551284 4 H s 34 0.551284 5 H s 3 0.175358 1 C px 4 -0.175358 1 C py Vector 19 Occ=0.000000D+00 E= 7.616898D-01 MO Center= 1.7D-01, 1.7D-01, 8.3D-01, r^2= 2.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 29 1.763358 3 H s 11 -1.245300 1 C px 12 -1.245300 1 C py 32 -0.881681 4 H s 35 -0.881681 5 H s 7 0.798568 1 C px 8 0.798568 1 C py 28 -0.636566 3 H s 31 0.318287 4 H s 34 0.318287 5 H s center of mass -------------- x = -0.00000000 y = -0.00000000 z = -0.20412880 moments of inertia (a.u.) ------------------ 70.047499012709 -0.000000000000 0.000000000000 -0.000000000000 70.047499012709 0.000000000000 Sending upstream hdr.cmd = CMD_STDOUT 0.000000000000 0.000000000000 11.406608960443 Mulliken analysis of the total density -------------------------------------- Atom Charge Shell Charges ----------- ------ ------------------------------------------------------- 1 C 6 6.05 1.10 0.89 0.57 0.78 1.58 0.54 0.59 2 F 9 9.44 1.08 0.92 1.14 1.08 2.40 0.93 1.90 3 H 1 0.84 0.28 0.50 0.06 4 H 1 0.84 0.28 0.50 0.06 5 H 1 0.84 0.28 0.50 0.06 Multipole analysis of the density wrt the origin ------------------------------------------------ L x y z total open nuclear - - - - ----- ---- ------- 1 1 0 0 -0.000000 0.000000 -0.000000 Sending upstream hdr.cmd = CMD_STDOUT 1 0 1 0 -0.000000 0.000000 -0.000000 1 0 0 1 0.991227 0.000000 -0.000000 2 2 0 0 -8.702295 0.000000 5.659023 2 1 1 0 0.000000 0.000000 0.000000 2 1 0 1 -0.000000 0.000000 -0.000000 2 0 2 0 -8.702295 0.000000 5.659023 2 0 1 1 -0.000000 0.000000 -0.000000 2 0 0 2 -9.405431 0.000000 37.015869 ------------- Dipole Moment ------------- Center of charge (in au) is the expansion point X = -0.0000000 Y = -0.0000000 Z = -0.0000000 Dipole moment 0.9912274183 A.U. DMX -0.0000001514 DMXEFC 0.0000000000 DMY -0.0000001514 DMYEFC 0.0000000000 DMZ 0.9912274183 DMZEFC 0.0000000000 -EFC- dipole 0.0000000000 A.U. Total dipole 0.9912274183 A.U. Dipole moment 2.5194678328 Debye(s) DMX -0.0000003849 DMXEFC 0.0000000000 DMY -0.0000003849 DMYEFC 0.0000000000 DMZ 2.5194678328 DMZEFC 0.0000000000 -EFC- dipole 0.0000000000 DEBYE(S) Total dipole 2.5194678328 DEBYE(S) 1 a.u. = 2.541766 Debyes ----------------- Quadrupole Moment ----------------- Center of charge (in au) is the expansion point X = -0.0000000 Y = -0.0000000 Z = -0.0000000 < R**2 > = 75.143935 a.u. ( 1 a.u. = 0.280023 10**(-16) cm**2 ) ( also called diamagnetic susceptibility ) Second moments in atomic units Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX -8.7022952071 0.0000000000 -8.7022952071 YY -8.7022952071 0.0000000000 -8.7022952071 ZZ -9.4054308876 0.0000000000 -9.4054308876 XY 0.0000002970 0.0000000000 0.0000002970 XZ -0.0000002984 0.0000000000 -0.0000002984 YZ -0.0000002984 0.0000000000 -0.0000002984 Second moments in buckingham(s) Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX -11.7038125493 0.0000000000 -11.7038125493 YY -11.7038125493 0.0000000000 -11.7038125493 ZZ -12.6494674605 0.0000000000 -12.6494674605 XY 0.0000003994 0.0000000000 0.0000003994 XZ -0.0000004014 0.0000000000 -0.0000004014 YZ -0.0000004014 0.0000000000 -0.0000004014 Quadrupole moments in atomic units Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX 0.3515678402 0.0000000000 0.3515678402 YY 0.3515678402 0.0000000000 0.3515678402 ZZ -0.7031356805 0.0000000000 -0.7031356805 XY 0.0000004455 0.0000000000 0.0000004455 XZ -0.0000004477 0.0000000000 -0.0000004477 YZ -0.0000004477 0.0000000000 -0.0000004477 Quadrupole moments in buckingham(s) Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX 0.4728274556 0.0000000000 0.4728274556 YY 0.4728274556 0.0000000000 0.4728274556 ZZ -0.9456549112 0.0000000000 -0.9456549112 XY 0.0000005991 0.0000000000 0.0000005991 XZ -0.0000006021 0.0000000000 -0.0000006021 YZ -0.0000006021 0.0000000000 -0.0000006021 1 a.u. = 1.344911 Buckinghams = 1.344911 10**(-26) esu*cm**2 --------------- Octupole Moment Sending upstream hdr.cmd = CMD_STDOUT --------------- Center of charge (in au) is the expansion point X = -0.0000000 Y = -0.0000000 Z = -0.0000000 Third moments in atomic units Sending upstream hdr.cmd = CMD_STDOUT Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -0.5311282317 0.0000000000 -0.5311282317 YYY -0.5311282317 0.0000000000 -0.5311282317 Sending upstream hdr.cmd = CMD_STDOUT XXY 0.5311264986 0.0000000000 0.5311264986 XXZ -1.5213798474 0.0000000000 -1.5213798474 Sending upstream hdr.cmd = CMD_STDOUT YYX 0.5311264986 0.0000000000 0.5311264986 YYZ -1.5213798474 0.0000000000 -1.5213798474 ZZX -0.0000007827 0.0000000000 -0.0000007827 ZZY -0.0000007827 0.0000000000 -0.0000007827 XYZ 0.0000003219 0.0000000000 0.0000003219 Third moments in 10**(-34) esu*cm**3 Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -0.3779975889 0.0000000000 -0.3779975889 YYY -0.3779975889 0.0000000000 -0.3779975889 ZZZ -3.1059212879 0.0000000000 -3.1059212879 XXY 0.3779963555 0.0000000000 0.3779963555 XXZ -1.0827477808 0.0000000000 -1.0827477808 YYX 0.3779963555 0.0000000000 0.3779963555 YYZ -1.0827477808 0.0000000000 -1.0827477808 ZZX -0.0000005570 0.0000000000 -0.0000005570 ZZY -0.0000005570 0.0000000000 -0.0000005570 XYZ 0.0000002291 0.0000000000 0.0000002291 Octupole moments in atomic units Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -1.3278168055 0.0000000000 -1.3278168055 YYY -1.3278168055 0.0000000000 -1.3278168055 ZZZ 0.1999781571 0.0000000000 0.1999781571 XXY 1.3278175043 0.0000000000 1.3278175043 XXZ -0.0999890786 0.0000000000 -0.0999890786 YYX 1.3278175043 0.0000000000 1.3278175043 YYZ -0.0999890786 0.0000000000 -0.0999890786 ZZX -0.0000006988 0.0000000000 -0.0000006988 ZZY -0.0000006988 0.0000000000 -0.0000006988 XYZ 0.0000008047 0.0000000000 0.0000008047 Octupole moments in 10**(-34) esu*cm**3 Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -0.9449912867 0.0000000000 -0.9449912867 YYY -0.9449912867 0.0000000000 -0.9449912867 ZZZ 0.1423220547 0.0000000000 0.1423220547 XXY 0.9449917840 0.0000000000 0.9449917840 XXZ -0.0711610273 0.0000000000 -0.0711610273 YYX 0.9449917840 0.0000000000 0.9449917840 YYZ -0.0711610273 0.0000000000 -0.0711610273 ZZX -0.0000004973 0.0000000000 -0.0000004973 ZZY -0.0000004973 0.0000000000 -0.0000004973 XYZ 0.0000005727 0.0000000000 0.0000005727 1 a.u. = 0.711688 10**(-34) esu*cm**3 ---------------------------- Mulliken population analysis ---------------------------- Total S,P,D,... shell population -------------------------------- Atom S P -------------------------------------------------------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT 1 C 3.31144 2.73677 2 F 3.99758 5.44475 3 H 0.83649 0.00000 4 H 0.83649 0.00000 5 H 0.83649 0.00000 ----- Total gross population on atoms ---- 1 C 6.0 6.04821 2 F 9.0 9.44232 3 H 1.0 0.83649 4 H 1.0 0.83649 5 H 1.0 0.83649 ----- Bond indices ----- 1- 1 0.00000 1- 2 0.68655 1- 3 0.94230 1- 4 0.94230 1- 5 0.94230 2- 1 0.68655 2- 2 0.00000 2- 3 0.00450 2- 4 0.00450 2- 5 0.00450 3- 1 0.94230 3- 2 0.00450 3- 3 0.00000 3- 4 -0.01024 3- 5 -0.01024 4- 1 0.94230 4- 2 0.00450 4- 3 -0.01024 4- 4 0.00000 4- 5 -0.01024 5- 1 0.94230 5- 2 0.00450 5- 3 -0.01024 5- 4 -0.01024 5- 5 0.00000 Large bond indices ------------------ 1 C - 2 F 0.68655 1 C - 3 H 0.94230 1 C - 4 H 0.94230 1 C - 5 H 0.94230 Free electrons Valency Number of Sum of + Bond indices - Bond indices Valency Free electrons Bond indices =Mulliken charge = Net spin population 2 F 0.70004 8.74229 0.70004 9.44232 0.00000 3 H 0.92632 -0.08983 0.92632 0.83649 -0.00000 4 H 0.92632 -0.08983 0.92632 0.83649 0.00000 Sending upstream hdr.cmd = CMD_STDOUT 5 H 0.92632 -0.08983 0.92632 0.83649 -0.00000 --------------------------------------------- Electrostatic potential/diamagnetic shielding --------------------------------------------- 1 a.u. = 9.07618 esu/cm ( or statvolts ) Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) 1 C 0.00000 0.00000 1.19651 -14.649884 19.555640 2 F 0.00000 0.00000 -1.41698 -26.619493 29.703176 3 H 1.37344 1.37344 1.85792 -1.084290 6.966663 4 H 0.50271 -1.87616 1.85792 -1.084290 6.966663 5 H -1.87616 0.50271 1.85792 -1.084290 6.966663 scftyp:RHF theory:scf -------------- Electric field -------------- 1 a.u. = 0.171524 10**(-8) dyn/esu Atom X Y Z Electric field (a.u.) X Y Z Field ------------------------------------------------------------------------------------------------ 1 C 0.00000 0.00000 1.19651 0.000000 0.000000 0.024497 0.024497 2 F 0.00000 0.00000 -1.41698 -0.000000 -0.000000 -0.159572 0.159572 3 H 1.37344 1.37344 1.85792 0.050245 0.050245 0.016741 0.073003 4 H 0.50271 -1.87616 1.85792 0.018391 -0.068636 0.016741 0.073003 5 H -1.87616 0.50271 1.85792 -0.068636 0.018391 0.016741 0.073003 ----------------------- Electric field gradient ----------------------- 1 a.u. = 0.324123 10**(16) esu/cm**3 ( or statvolts/cm**2 ) = 0.97174 10**(22) v/m**2 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ ------------------------------------------------------------ Sending upstream hdr.cmd = CMD_STDOUT Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ 0.285901 0.285901 -0.571801 0.000000 -0.000000 -0.000000 Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -0.571801 0.285901 0.285901 0.000000 0.000000 0.707107 -0.707106 0.000000 0.707106 0.707107 1.000000 -0.000000 0.000000 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 2 F 0.00000 0.00000 -1.41698 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ 1.725363 1.725363 -3.450727 0.000000 -0.000000 -0.000000 Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -3.450727 1.725363 1.725363 0.000000 0.000000 0.707108 -0.707106 0.000000 0.707106 0.707108 1.000000 -0.000000 -0.000000 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 3 H 1.37344 1.37344 1.85792 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ -0.050873 -0.050873 0.101747 -0.228443 -0.106072 -0.106072 Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -0.331282 0.177569 0.153712 0.072014 0.668152 0.707107 -0.231459 0.668152 -0.707107 -0.231459 0.327333 0.000000 0.944909 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 4 H 0.50271 -1.87616 1.85792 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ 0.146964 -0.248711 0.101747 0.114221 -0.038825 0.144897 Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -0.331282 0.177569 0.153712 0.072014 -0.244560 0.965926 -0.084720 0.912712 0.258819 0.316179 -0.327333 -0.000000 0.944909 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 5 H -1.87616 0.50271 1.85792 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ -0.248711 0.146964 0.101747 0.114221 0.144897 -0.038825 Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -0.331282 0.177569 0.153712 0.072014 0.912712 0.258819 0.316179 -0.244560 0.965926 -0.084720 -0.327333 -0.000000 0.944909 --------------------- Electron/spin density --------------------- 1 a.u. = 4.80286 10**(-10) esu Total electron density ---------------------- Point X Y Z Density (a.u.) 1 C 0.00000 0.00000 1.19651 119.497865 2 F 0.00000 0.00000 -1.41698 426.069239 3 H 1.37344 1.37344 1.85792 0.441017 4 H 0.50271 -1.87616 1.85792 0.441017 5 H -1.87616 0.50271 1.85792 0.441017 ----------------------------------------- Chemical Shielding Tensors (GIAO, in ppm) ----------------------------------------- NWChem CPHF Module ------------------ nclosed = 9 nopen = 0 variables = 234 Sending upstream hdr.cmd = CMD_STDOUT # of vectors = 3 tolerance = 0.10D-03 level shift = 0.00D+00 max iterations = 50 max subspace = 30 SCF residual: 5.4139696152036236E-005 Iterative solution of linear equations No. of variables 234 No. of equations 3 Maximum subspace 30 Iterations 50 Convergence 1.0D-04 Start time 4.1 iter nsub residual time ---- ------ -------- --------- 1 3 4.26D-01 4.6 2 6 4.41D-02 5.2 3 9 5.29D-03 5.8 4 12 1.53D-03 6.4 5 15 2.77D-04 7.0 6 18 6.11D-05 7.6 Wrote CPHF data to ./ch3f.shieldcphf Calc. par tensor-> nonrel Atom: 1 C Diamagnetic 240.6095 0.0000 -0.0000 0.0000 240.6095 -0.0000 -0.0000 -0.0000 256.3644 Paramagnetic -131.7560 -0.0000 -0.0000 -0.0000 -131.7560 -0.0000 -0.0000 -0.0000 -59.5162 Total Shielding Tensor 108.8534 -0.0000 -0.0000 -0.0000 108.8534 -0.0000 -0.0000 -0.0000 196.8481 isotropic = 138.1850 anisotropy = 87.9947 Principal Components and Axis System 1 2 3 196.8481 108.8535 108.8534 1 -0.0000 0.7071 0.7071 2 -0.0000 -0.7071 0.7071 3 1.0000 0.0000 0.0000 Atom: 2 F Diamagnetic 465.5757 -0.0000 0.0000 -0.0000 465.5757 0.0000 0.0000 0.0000 492.5922 Paramagnetic 48.9258 0.0000 0.0000 0.0000 48.9258 0.0000 0.0000 0.0000 -52.8196 Total Shielding Tensor 514.5015 0.0000 0.0000 0.0000 514.5015 0.0000 0.0000 0.0000 439.7726 isotropic = 489.5918 anisotropy = 37.3645 Principal Components and Axis System 1 2 3 514.5015 514.5014 439.7726 1 0.7071 -0.7071 -0.0000 2 0.7071 0.7071 -0.0000 3 0.0000 -0.0000 1.0000 Atom: 3 H Diamagnetic 29.2847 6.0662 4.2505 6.0662 29.2847 4.2505 4.2505 4.2505 29.1244 Paramagnetic -1.4670 -4.0263 -2.1816 -4.0263 -1.4670 -2.1816 -2.1816 -2.1816 2.7014 Total Shielding Tensor 27.8177 2.0399 2.0689 2.0399 27.8177 2.0689 2.0689 2.0689 31.8258 isotropic = 29.1538 anisotropy = 7.1624 Principal Components and Axis System 1 2 3 33.9287 27.7548 25.7778 1 0.4127 0.5742 0.7071 2 0.4127 0.5742 -0.7071 3 0.8120 -0.5836 0.0000 Atom: 4 H Diamagnetic 24.0313 -3.0331 1.5558 -3.0331 34.5382 -5.8063 1.5558 -5.8063 29.1244 Paramagnetic 2.0198 2.0131 -0.7985 2.0131 -4.9539 2.9801 -0.7985 2.9801 2.7015 Total Shielding Tensor 26.0511 -1.0200 0.7573 -1.0200 29.5844 -2.8262 0.7573 -2.8262 31.8258 isotropic = 29.1538 anisotropy = 7.1624 Principal Components and Axis System 1 2 3 33.9287 27.7548 25.7778 1 0.1511 -0.2102 0.9659 2 -0.5637 0.7844 0.2588 3 0.8120 0.5836 -0.0000 Atom: 5 H Diamagnetic 34.5382 -3.0331 -5.8063 -3.0331 24.0313 1.5558 -5.8063 1.5558 29.1244 Paramagnetic -4.9539 2.0131 2.9801 2.0131 2.0198 -0.7985 2.9801 -0.7985 2.7015 Total Shielding Tensor 29.5844 -1.0200 -2.8262 -1.0200 26.0511 0.7573 -2.8262 0.7573 31.8258 isotropic = 29.1538 anisotropy = 7.1624 Principal Components and Axis System 1 2 3 33.9287 27.7548 25.7778 1 -0.5637 0.7844 0.2588 2 0.1511 -0.2102 0.9659 3 0.8120 0.5836 -0.0000 Task times cpu: 5.9s wall: 7.9s Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- NWChem Property Module ---------------------- ch3f itol2e modified to match energy convergence criterion. NWChem DFT Module ----------------- ch3f Summary of "ao basis" -> "ao basis" (cartesian) Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- c 6-311G 7 13 4s3p Sending upstream hdr.cmd = CMD_STDOUT f 6-311G 7 13 4s3p h 6-311G 3 3 3s Caching 1-el integrals itol2e modified to match energy convergence criterion. General Information ------------------- SCF calculation type: DFT No. of atoms : 5 No. of electrons : 18 Alpha electrons : 9 Beta electrons : 9 Charge : 0 Sending upstream hdr.cmd = CMD_STDOUT Spin multiplicity: 1 Use of symmetry is: off; symmetry adaption is: off Maximum number of iterations: 50 This is a Direct SCF calculation. AO basis - number of functions: 35 number of shells: 23 Convergence on density requested: 1.00D-05 Sending upstream hdr.cmd = CMD_STDOUT XC Information -------------- B3LYP Method XC Potential Sending upstream hdr.cmd = CMD_STDOUT Hartree-Fock (Exact) Exchange 0.200 Slater Exchange Functional 0.800 local Becke 1988 Exchange Functional 0.720 non-local Lee-Yang-Parr Correlation Functional 0.810 VWN I RPA Correlation Functional 0.190 local Grid Information ---------------- Grid used for XC integration: fine Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- c 0.70 70 7.0 590 f 0.50 70 7.0 590 h 0.35 60 8.0 590 Grid pruning is: on Number of quadrature shells: 320 Spatial weights used: Erf1 Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information ------------------------------- Density screening/tol_rho: 1.00D-11 AO Gaussian exp screening on grid/accAOfunc: 16 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 Superposition of Atomic Density Guess ------------------------------------- Sum of atomic energies: -138.57325452 Non-variational initial energy ------------------------------ Sending upstream hdr.cmd = CMD_STDOUT Total energy = -139.229769 1-e energy = -264.952728 2-e energy = 88.305556 HOMO = -0.441641 LUMO = 0.112239 WARNING: movecs_in_org=atomic not equal to movecs_in=./ch3f.movecs Time after variat. SCF: 8.1 Time prior to 1st pass: 8.1 Grid_pts file = ./ch3f.gridpts.0 Record size in doubles = 12289 No. of grid_pts per rec = 3070 Max. records in memory = 35 Max. recs in file = 506625431 Memory utilization after 1st SCF pass: Heap Space remaining (MW): 0.00 54 Stack Space remaining (MW): 26.21 26214036 convergence iter energy DeltaE RMS-Dens Diis-err time ---------------- ----- ----------------- --------- --------- --------- ------ d= 0,ls=0.0,diis 1 -139.7045936262 -1.77D+02 1.78D-02 5.05D-01 9.8 d= 0,ls=0.0,diis 2 -139.6932246848 1.14D-02 1.02D-02 6.68D-01 11.1 d= 0,ls=0.0,diis 3 -139.7494357581 -5.62D-02 1.59D-03 3.42D-02 12.4 d= 0,ls=0.0,diis 4 -139.7513770500 -1.94D-03 6.05D-04 1.59D-03 14.2 d= 0,ls=0.0,diis 5 -139.7515474258 -1.70D-04 1.23D-04 7.02D-05 16.2 Resetting Diis d= 0,ls=0.0,diis 6 -139.7515542640 -6.84D-06 5.14D-06 8.51D-08 18.0 d= 0,ls=0.0,diis 7 -139.7515542732 -9.24D-09 3.96D-07 1.74D-10 19.8 Total DFT energy = -139.751554273191 One electron energy = -266.590801072106 Coulomb energy = 106.458588767435 Exchange-Corr. energy = -17.036744539421 Nuclear repulsion energy = 37.417402570901 Numeric. integr. density = 18.000000165210 Total iterative time = 11.7s DFT Final Molecular Orbital Analysis ------------------------------------ Vector 1 Occ=2.000000D+00 E=-2.464175D+01 MO Center= -2.2D-11, -2.2D-11, -7.5D-01, r^2= 1.2D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 0.547666 2 F s 15 0.471996 2 F s Vector 2 Occ=2.000000D+00 E=-1.024407D+01 MO Center= 8.2D-12, 8.1D-12, 6.3D-01, r^2= 2.8D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1 0.562841 1 C s 2 0.464020 1 C s Vector 3 Occ=2.000000D+00 E=-1.190496D+00 MO Center= -1.4D-08, -1.4D-08, -5.5D-01, r^2= 4.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 0.574054 2 F s 23 0.457116 2 F s 15 -0.193907 2 F s 6 0.144400 1 C s 14 -0.119889 2 F s 22 0.082945 2 F pz 9 -0.067558 1 C pz 2 -0.054584 1 C s 26 0.054194 2 F pz 5 -0.047375 1 C pz Vector 4 Occ=2.000000D+00 E=-7.086882D-01 MO Center= 8.0D-09, 7.9D-09, 5.7D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.466243 1 C s 10 0.313846 1 C s 23 -0.217525 2 F s 19 -0.193018 2 F s 2 -0.166818 1 C s 22 0.113096 2 F pz 1 -0.104708 1 C s 27 0.093043 3 H s 30 0.093043 4 H s 33 0.093043 5 H s Vector 5 Occ=2.000000D+00 E=-4.879138D-01 MO Center= 8.9D-02, 8.8D-02, 2.5D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 0.197951 1 C px 8 0.198328 1 C py 20 0.175209 2 F px 21 0.175543 2 F py 24 0.151040 2 F px 25 0.151328 2 F py 28 0.147567 3 H s 27 0.132054 3 H s 3 0.125672 1 C px 4 0.125911 1 C py Vector 6 Occ=2.000000D+00 E=-4.879138D-01 MO Center= -8.9D-02, -8.8D-02, 2.5D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 0.198328 1 C px 8 -0.197951 1 C py 20 0.175543 2 F px 21 -0.175209 2 F py 24 0.151328 2 F px 25 -0.151040 2 F py 31 0.127726 4 H s 34 -0.127867 5 H s 3 0.125911 1 C px 4 -0.125672 1 C py Vector 7 Occ=2.000000D+00 E=-4.814896D-01 MO Center= -6.1D-08, -6.2D-08, -2.9D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 22 0.358056 2 F pz 26 0.317885 2 F pz 9 -0.251758 1 C pz 18 0.250165 2 F pz 5 -0.157557 1 C pz 23 -0.141847 2 F s 19 -0.127100 2 F s 10 -0.099828 1 C s 13 -0.070221 1 C pz 27 -0.051963 3 H s Vector 8 Occ=2.000000D+00 E=-3.432645D-01 MO Center= 8.4D-02, 8.4D-02, -1.7D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 24 0.278149 2 F px 25 0.278007 2 F py 20 0.265920 2 F px 21 0.265785 2 F py 28 -0.221432 3 H s 16 0.191735 2 F px 17 0.191637 2 F py 7 -0.126753 1 C px 8 -0.126688 1 C py 27 -0.120843 3 H s Vector 9 Occ=2.000000D+00 E=-3.432645D-01 MO Center= -8.4D-02, -8.4D-02, -1.7D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 24 0.278007 2 F px 25 -0.278149 2 F py 20 0.265785 2 F px 21 -0.265920 2 F py 16 0.191637 2 F px 17 -0.191735 2 F py 31 -0.191794 4 H s 34 0.191738 5 H s 7 -0.126688 1 C px 8 0.126753 1 C py Vector 10 Occ=0.000000D+00 E= 4.747261D-02 MO Center= -2.1D-07, -2.1D-07, 1.1D+00, r^2= 4.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 1.913430 1 C s 29 -0.923709 3 H s 32 -0.923711 4 H s 35 -0.923711 5 H s 13 0.385909 1 C pz 6 0.191504 1 C s 9 0.101763 1 C pz 2 -0.088726 1 C s 5 0.076416 1 C pz 28 -0.064871 3 H s Vector 11 Occ=0.000000D+00 E= 9.454740D-02 MO Center= 7.2D-07, 7.2D-07, 5.4D-01, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 1.122327 1 C pz 23 0.834988 2 F s 10 -0.579685 1 C s 26 0.485123 2 F pz 9 0.269635 1 C pz 22 0.217584 2 F pz 6 -0.177960 1 C s 5 0.166919 1 C pz 18 0.161726 2 F pz 19 0.161915 2 F s Vector 12 Occ=0.000000D+00 E= 1.052321D-01 MO Center= -5.1D-01, -5.1D-01, 1.1D+00, r^2= 4.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.719520 4 H s 35 -1.719230 5 H s 11 -0.766047 1 C px 12 0.766271 1 C py 7 -0.180051 1 C px 8 0.180103 1 C py 3 -0.125322 1 C px 4 0.125359 1 C py 24 0.075081 2 F px 25 -0.075103 2 F py Vector 13 Occ=0.000000D+00 E= 1.052321D-01 MO Center= 5.1D-01, 5.1D-01, 1.1D+00, r^2= 4.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 29 1.985363 3 H s 32 -0.992430 4 H s 35 -0.992932 5 H s 11 -0.766269 1 C px 12 -0.766045 1 C py 7 -0.180103 1 C px 8 -0.180051 1 C py 3 -0.125359 1 C px 4 -0.125322 1 C py 24 0.075102 2 F px Vector 14 Occ=0.000000D+00 E= 3.037566D-01 MO Center= 1.5D-01, 1.5D-01, 6.3D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 31 -1.138311 4 H s 34 1.138301 5 H s 11 1.114501 1 C px 12 -1.114517 1 C py 24 -0.196585 2 F px 25 0.196588 2 F py 32 0.191184 4 H s 35 -0.191182 5 H s 30 -0.076810 4 H s 33 0.076810 5 H s Vector 15 Occ=0.000000D+00 E= 3.037571D-01 MO Center= -1.5D-01, -1.5D-01, 6.3D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 1.314407 3 H s 11 -1.114515 1 C px 12 -1.114499 1 C py 31 -0.657190 4 H s 34 -0.657207 5 H s 29 -0.220761 3 H s 24 0.196588 2 F px 25 0.196585 2 F py 32 0.110380 4 H s 35 0.110383 5 H s Vector 16 Occ=0.000000D+00 E= 4.233400D-01 MO Center= 5.7D-07, 5.7D-07, 6.9D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 1.192315 1 C pz 9 -0.751491 1 C pz 10 0.638154 1 C s 28 -0.518505 3 H s 31 -0.518500 4 H s 34 -0.518500 5 H s 6 0.509738 1 C s 5 -0.260636 1 C pz 23 0.250508 2 F s 22 -0.234428 2 F pz Vector 17 Occ=0.000000D+00 E= 4.734905D-01 MO Center= -4.3D-06, -4.3D-06, 6.9D-01, r^2= 2.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 1.711048 1 C s 28 -1.119676 3 H s 31 -1.119685 4 H s 34 -1.119685 5 H s 9 0.538340 1 C pz 23 -0.482214 2 F s 13 -0.339590 1 C pz 29 0.272332 3 H s 32 0.272345 4 H s 35 0.272345 5 H s Vector 18 Occ=0.000000D+00 E= 5.538393D-01 MO Center= -1.8D-01, -1.8D-01, 8.5D-01, r^2= 3.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.673029 4 H s 35 -1.673021 5 H s 11 -1.365680 1 C px 12 1.365690 1 C py 7 0.739510 1 C px 8 -0.739516 1 C py 31 -0.450054 4 H s 34 0.450052 5 H s 3 0.193559 1 C px 4 -0.193560 1 C py Vector 19 Occ=0.000000D+00 E= 5.538398D-01 MO Center= 1.8D-01, 1.8D-01, 8.5D-01, r^2= 3.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 29 1.931845 3 H s 11 -1.365692 1 C px 12 -1.365682 1 C py 32 -0.965913 4 H s 35 -0.965925 5 H s 7 0.739515 1 C px 8 0.739510 1 C py 28 -0.519677 3 H s 31 0.259832 4 H s 34 0.259836 5 H s Vector 20 Occ=0.000000D+00 E= 7.118886D-01 MO Center= -1.2D-06, -1.2D-06, 9.4D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 5.078251 1 C s 6 -2.066262 1 C s 29 -0.937572 3 H s 32 -0.937575 4 H s 35 -0.937575 5 H s 13 0.548235 1 C pz 23 -0.519731 2 F s 28 -0.452215 3 H s 31 -0.452215 4 H s 34 -0.452215 5 H s Vector 21 Occ=0.000000D+00 E= 1.028747D+00 MO Center= 1.2D-06, 1.2D-06, -1.2D+00, r^2= 9.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 26 1.357455 2 F pz 22 -0.722864 2 F pz 6 -0.571194 1 C s 19 0.425373 2 F s 9 0.402098 1 C pz 23 -0.265515 2 F s 18 -0.216548 2 F pz 10 0.208714 1 C s 13 -0.095157 1 C pz 15 -0.076638 2 F s Vector 22 Occ=0.000000D+00 E= 1.055298D+00 MO Center= -2.7D-02, -2.7D-02, -7.3D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 24 0.945877 2 F px 25 0.945846 2 F py 20 -0.553990 2 F px 21 -0.553971 2 F py 11 -0.526204 1 C px 12 -0.526187 1 C py 28 0.337967 3 H s 16 -0.184354 2 F px 17 -0.184348 2 F py 31 -0.168979 4 H s Vector 23 Occ=0.000000D+00 E= 1.055298D+00 MO Center= 2.7D-02, 2.7D-02, -7.3D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 24 0.945846 2 F px 25 -0.945877 2 F py 20 -0.553971 2 F px 21 0.553990 2 F py 11 -0.526186 1 C px 12 0.526204 1 C py 31 0.292691 4 H s 34 -0.292685 5 H s 16 -0.184348 2 F px 17 0.184355 2 F py Vector 24 Occ=0.000000D+00 E= 1.699205D+00 MO Center= -2.8D-07, -2.8D-07, -3.6D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 23 2.998966 2 F s 10 -2.717298 1 C s 19 -1.780414 2 F s 26 1.350024 2 F pz 9 0.659294 1 C pz 13 0.482310 1 C pz 28 0.459507 3 H s 31 0.459507 4 H s 34 0.459507 5 H s 22 -0.290105 2 F pz Vector 25 Occ=0.000000D+00 E= 2.175485D+00 MO Center= 2.7D-06, 2.7D-06, 9.7D-01, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 1.462486 3 H s 31 1.462479 4 H s 34 1.462479 5 H s 10 -1.301265 1 C s 27 -0.868763 3 H s 30 -0.868758 4 H s 33 -0.868758 5 H s 23 0.470971 2 F s 9 -0.381038 1 C pz 5 0.323848 1 C pz Vector 26 Occ=0.000000D+00 E= 2.192216D+00 MO Center= 3.7D-01, 3.7D-01, 9.9D-01, r^2= 1.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 1.771791 3 H s 27 -1.158646 3 H s 29 -0.977705 3 H s 31 -0.885752 4 H s 34 -0.886051 5 H s 30 0.579228 4 H s 33 0.579424 5 H s 7 -0.495213 1 C px 8 -0.495116 1 C py 32 0.488771 4 H s Vector 27 Occ=0.000000D+00 E= 2.192216D+00 MO Center= -3.7D-01, -3.7D-01, 9.9D-01, r^2= 1.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 31 1.534506 4 H s 34 -1.534333 5 H s 30 -1.003475 4 H s 33 1.003362 5 H s 32 -0.846766 4 H s 35 0.846670 5 H s 7 -0.495116 1 C px 8 0.495213 1 C py 3 0.348672 1 C px 4 -0.348740 1 C py Vector 28 Occ=0.000000D+00 E= 2.769103D+00 MO Center= -3.7D-10, -3.7D-10, 7.4D-01, r^2= 8.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.665934 1 C pz 5 -1.307960 1 C pz 10 -1.064024 1 C s 13 -0.710579 1 C pz 28 0.420580 3 H s 31 0.420581 4 H s 34 0.420581 5 H s 26 0.295160 2 F pz 27 -0.282186 3 H s 30 -0.282186 4 H s Vector 29 Occ=0.000000D+00 E= 2.830900D+00 MO Center= 1.1D-02, 1.1D-02, 6.3D-01, r^2= 9.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 1.131253 1 C px 8 -1.131257 1 C py 3 -0.890491 1 C px 4 0.890495 1 C py 11 -0.778024 1 C px 12 0.778027 1 C py 30 -0.530934 4 H s 33 0.530933 5 H s 31 0.415783 4 H s 34 -0.415782 5 H s Vector 30 Occ=0.000000D+00 E= 2.830900D+00 MO Center= -1.1D-02, -1.1D-02, 6.3D-01, r^2= 9.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 1.131257 1 C px 8 1.131253 1 C py 3 -0.890495 1 C px 4 -0.890491 1 C py 11 -0.778027 1 C px 12 -0.778024 1 C py 27 -0.613069 3 H s 28 0.480104 3 H s 29 0.422137 3 H s 30 0.306534 4 H s Vector 31 Occ=0.000000D+00 E= 6.093813D+00 MO Center= -1.7D-03, -1.7D-03, -7.5D-01, r^2= 3.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 0.999394 2 F px 21 0.999387 2 F py 16 -0.884485 2 F px 17 -0.884479 2 F py 24 -0.446569 2 F px 25 -0.446566 2 F py 11 0.195128 1 C px 12 0.195126 1 C py 28 -0.090478 3 H s 29 -0.074164 3 H s Vector 32 Occ=0.000000D+00 E= 6.093813D+00 MO Center= 1.7D-03, 1.7D-03, -7.5D-01, r^2= 3.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 0.999387 2 F px 21 -0.999394 2 F py 16 -0.884479 2 F px 17 0.884485 2 F py 24 -0.446566 2 F px 25 0.446569 2 F py 11 0.195126 1 C px 12 -0.195128 1 C py 31 -0.078356 4 H s 34 0.078356 5 H s Vector 33 Occ=0.000000D+00 E= 6.108952D+00 MO Center= -7.9D-08, -7.9D-08, -7.9D-01, r^2= 3.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 22 1.446771 2 F pz 18 -1.256540 2 F pz 26 -0.716873 2 F pz 23 -0.342781 2 F s 10 0.321590 1 C s 13 -0.179105 1 C pz 19 0.158258 2 F s 9 0.084464 1 C pz 5 -0.075311 1 C pz 29 -0.029693 3 H s Vector 34 Occ=0.000000D+00 E= 2.330025D+01 MO Center= -2.5D-10, -2.5D-10, 6.3D-01, r^2= 9.6D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 -2.173144 1 C s 1 2.026009 1 C s 10 -0.503112 1 C s 6 0.468663 1 C s 29 0.100368 3 H s 32 0.100368 4 H s 35 0.100368 5 H s 13 -0.047313 1 C pz 26 -0.028808 2 F pz Vector 35 Occ=0.000000D+00 E= 6.672694D+01 MO Center= -3.0D-11, -2.9D-11, -7.5D-01, r^2= 2.7D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 15 -2.394458 2 F s 14 2.325823 2 F s 23 -0.235710 2 F s 19 0.209433 2 F s 13 -0.048841 1 C pz 28 -0.033142 3 H s Sending upstream hdr.cmd = CMD_STDOUT 31 -0.033142 4 H s 34 -0.033142 5 H s center of mass -------------- x = -0.00000000 y = -0.00000000 z = -0.20412880 moments of inertia (a.u.) ------------------ 70.047499012709 -0.000000000000 0.000000000000 -0.000000000000 70.047499012709 0.000000000000 0.000000000000 0.000000000000 11.406608960443 Multipole analysis of the density --------------------------------- L x y z total alpha beta nuclear - - - - ----- ----- ---- ------- 0 0 0 0 -0.000000 -9.000000 -9.000000 18.000000 1 1 0 0 -0.000000 -0.000000 -0.000000 -0.000000 1 0 1 0 -0.000000 -0.000000 -0.000000 -0.000000 1 0 0 1 0.852696 0.426348 0.426348 -0.000000 2 2 0 0 -8.785226 -7.222124 -7.222124 5.659023 2 1 1 0 0.000000 0.000000 0.000000 0.000000 2 1 0 1 -0.000000 -0.000000 -0.000000 -0.000000 2 0 2 0 -8.785226 -7.222124 -7.222124 5.659023 2 0 1 1 -0.000000 -0.000000 -0.000000 -0.000000 2 0 0 2 -9.357894 -23.186882 -23.186882 37.015869 ------------- Dipole Moment ------------- Center of charge (in au) is the expansion point X = -0.0000000 Y = -0.0000000 Z = -0.0000000 Dipole moment 0.8526960128 A.U. DMX -0.0000003202 DMXEFC 0.0000000000 DMY -0.0000003203 DMYEFC 0.0000000000 DMZ 0.8526960128 DMZEFC 0.0000000000 -EFC- dipole 0.0000000000 A.U. Total dipole 0.8526960128 A.U. Dipole moment 2.1673534609 Debye(s) DMX -0.0000008138 DMXEFC 0.0000000000 DMY -0.0000008140 DMYEFC 0.0000000000 DMZ 2.1673534609 DMZEFC 0.0000000000 -EFC- dipole 0.0000000000 DEBYE(S) Total dipole 2.1673534609 DEBYE(S) 1 a.u. = 2.541766 Debyes ----------------- Quadrupole Moment ----------------- Center of charge (in au) is the expansion point X = -0.0000000 Y = -0.0000000 Z = -0.0000000 < R**2 > = 75.262261 a.u. ( 1 a.u. = 0.280023 10**(-16) cm**2 ) ( also called diamagnetic susceptibility ) Second moments in atomic units Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX -8.7852263109 0.0000000000 -8.7852263109 YY -8.7852263108 0.0000000000 -8.7852263108 ZZ -9.3578942502 0.0000000000 -9.3578942502 XY 0.0000002998 0.0000000000 0.0000002998 XZ -0.0000001434 0.0000000000 -0.0000001434 YZ -0.0000001434 0.0000000000 -0.0000001434 Second moments in buckingham(s) Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX -11.8153475031 0.0000000000 -11.8153475031 YY -11.8153475029 0.0000000000 -11.8153475029 ZZ -12.5855349140 0.0000000000 -12.5855349140 XY 0.0000004033 0.0000000000 0.0000004033 XZ -0.0000001929 0.0000000000 -0.0000001929 YZ -0.0000001928 0.0000000000 -0.0000001928 Quadrupole moments in atomic units Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX 0.2863339696 0.0000000000 0.2863339696 YY 0.2863339698 0.0000000000 0.2863339698 ZZ -0.5726679394 0.0000000000 -0.5726679394 XY 0.0000004498 0.0000000000 0.0000004498 XZ -0.0000002151 0.0000000000 -0.0000002151 YZ -0.0000002150 0.0000000000 -0.0000002150 Quadrupole moments in buckingham(s) Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX 0.3850937054 0.0000000000 0.3850937054 YY 0.3850937056 0.0000000000 0.3850937056 ZZ -0.7701874110 0.0000000000 -0.7701874110 XY 0.0000006049 0.0000000000 0.0000006049 XZ -0.0000002893 0.0000000000 -0.0000002893 YZ -0.0000002892 0.0000000000 -0.0000002892 1 a.u. = 1.344911 Buckinghams = 1.344911 10**(-26) esu*cm**2 --------------- Octupole Moment --------------- Center of charge (in au) is the expansion point X = -0.0000000 Y = -0.0000000 Z = -0.0000000 Third moments in atomic units Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -0.5303514861 0.0000000000 -0.5303514861 YYY -0.5303514861 0.0000000000 -0.5303514861 ZZZ -5.4256129285 0.0000000000 -5.4256129285 XXY 0.5303473671 0.0000000000 0.5303473671 XXZ -1.7053011919 0.0000000000 -1.7053011919 YYX 0.5303473672 0.0000000000 0.5303473672 YYZ -1.7053011917 0.0000000000 -1.7053011917 ZZX -0.0000000693 0.0000000000 -0.0000000693 ZZY -0.0000000692 0.0000000000 -0.0000000692 XYZ 0.0000008441 0.0000000000 0.0000008441 Third moments in 10**(-34) esu*cm**3 Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -0.3774447884 0.0000000000 -0.3774447884 YYY -0.3774447884 0.0000000000 -0.3774447884 ZZZ -3.8613436139 0.0000000000 -3.8613436139 XXY 0.3774418570 0.0000000000 0.3774418570 XXZ -1.2136423947 0.0000000000 -1.2136423947 YYX 0.3774418571 0.0000000000 0.3774418571 YYZ -1.2136423945 0.0000000000 -1.2136423945 ZZX -0.0000000493 0.0000000000 -0.0000000493 ZZY -0.0000000492 0.0000000000 -0.0000000492 XYZ 0.0000006008 0.0000000000 0.0000006008 Octupole moments in atomic units Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -1.3258724329 0.0000000000 -1.3258724329 YYY -1.3258724330 0.0000000000 -1.3258724330 ZZZ -0.3097093531 0.0000000000 -0.3097093531 XXY 1.3258705119 0.0000000000 1.3258705119 XXZ 0.1548546764 0.0000000000 0.1548546764 YYX 1.3258705121 0.0000000000 1.3258705121 YYZ 0.1548546767 0.0000000000 0.1548546767 ZZX 0.0000019208 0.0000000000 0.0000019208 ZZY 0.0000019211 0.0000000000 0.0000019211 XYZ 0.0000021103 0.0000000000 0.0000021103 Octupole moments in 10**(-34) esu*cm**3 Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -0.9436075000 0.0000000000 -0.9436075000 YYY -0.9436075001 0.0000000000 -0.9436075001 ZZZ -0.2204164301 0.0000000000 -0.2204164301 XXY 0.9436061329 0.0000000000 0.9436061329 XXZ 0.1102082149 0.0000000000 0.1102082149 YYX 0.9436061330 0.0000000000 0.9436061330 YYZ 0.1102082152 0.0000000000 0.1102082152 ZZX 0.0000013670 0.0000000000 0.0000013670 ZZY 0.0000013672 0.0000000000 0.0000013672 XYZ 0.0000015019 0.0000000000 0.0000015019 1 a.u. = 0.711688 10**(-34) esu*cm**3 ---------------------------- Mulliken population analysis ---------------------------- Total S,P,D,... shell population -------------------------------- Atom S P -------------------------------------------------------------------------------------- 1 C 3.31507 2.84433 2 F 3.98615 5.36719 3 H 0.82909 0.00000 4 H 0.82909 0.00000 5 H 0.82909 0.00000 ----- Total gross population on atoms ---- 1 C 6.0 6.15940 2 F 9.0 9.35334 3 H 1.0 0.82909 4 H 1.0 0.82909 5 H 1.0 0.82909 ----- Bond indices ----- 1- 1 0.00000 1- 2 0.80158 1- 3 0.92840 1- 4 0.92840 1- 5 0.92840 2- 1 0.80158 2- 2 0.00000 2- 3 0.01499 2- 4 0.01499 2- 5 0.01499 3- 1 0.92840 3- 2 0.01499 3- 3 0.00000 3- 4 -0.01068 3- 5 -0.01068 4- 1 0.92840 4- 2 0.01499 4- 3 -0.01068 4- 4 0.00000 4- 5 -0.01068 5- 1 0.92840 5- 2 0.01499 5- 3 -0.01068 5- 4 -0.01068 5- 5 0.00000 Large bond indices ------------------ 1 C - 2 F 0.80158 1 C - 3 H 0.92840 1 C - 4 H 0.92840 1 C - 5 H 0.92840 Free electrons Valency Number of Sum of + Bond indices - Bond indices Valency Free electrons Bond indices =Mulliken charge = Net spin population 1 C 3.58678 2.57262 3.58678 6.15940 -0.00000 2 F 0.84656 8.50678 0.84656 9.35334 -0.00000 3 H 0.92203 -0.09294 0.92203 0.82909 -0.00000 4 H 0.92203 -0.09294 0.92203 0.82909 -0.00000 5 H 0.92203 -0.09294 0.92203 0.82909 -0.00000 --------------------------------------------- Electrostatic potential/diamagnetic shielding --------------------------------------------- 1 a.u. = 9.07618 esu/cm ( or statvolts ) Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) 1 C 0.00000 0.00000 1.19651 -14.707079 19.612835 2 F 0.00000 0.00000 -1.41698 -26.641604 29.725287 3 H 1.37344 1.37344 1.85792 -1.093796 6.976168 4 H 0.50271 -1.87616 1.85792 -1.093796 6.976168 5 H -1.87616 0.50271 1.85792 -1.093796 6.976168 scftyp:RHF theory:dft -------------- Electric field -------------- 1 a.u. = 0.171524 10**(-8) dyn/esu Atom X Y Z Electric field (a.u.) X Y Z Field ------------------------------------------------------------------------------------------------ Sending upstream hdr.cmd = CMD_STDOUT 1 C 0.00000 0.00000 1.19651 0.000000 0.000000 0.026149 0.026149 2 F 0.00000 0.00000 -1.41698 0.000000 0.000000 -0.146885 0.146885 3 H 1.37344 1.37344 1.85792 0.045491 0.045491 0.016734 0.066475 4 H 0.50271 -1.87616 1.85792 0.016651 -0.062142 0.016734 0.066475 5 H -1.87616 0.50271 1.85792 -0.062142 0.016651 0.016734 0.066475 ----------------------- Electric field gradient ----------------------- 1 a.u. = 0.324123 10**(16) esu/cm**3 ( or statvolts/cm**2 ) = 0.97174 10**(22) v/m**2 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ Sending upstream hdr.cmd = CMD_STDOUT ------------------------------------------------------------ Sending upstream hdr.cmd = CMD_STDOUT Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ Sending upstream hdr.cmd = CMD_STDOUT Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -0.561885 0.280943 0.280943 0.000000 0.000000 0.707459 0.706755 0.000000 -0.706755 0.707459 1.000000 0.000000 -0.000000 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 2 F 0.00000 0.00000 -1.41698 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ 1.731746 1.731746 -3.463492 -0.000001 0.000000 0.000000 of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT -3.463492 1.731747 1.731746 0.000000 -0.000000 -0.707027 0.707186 -0.000000 0.707186 0.707027 1.000000 0.000000 0.000000 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 3 H 1.37344 1.37344 1.85792 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ -0.048499 -0.048499 0.096998 -0.217989 -0.101735 -0.101735 Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -0.316544 0.169490 0.147053 0.070881 0.667843 -0.707107 -0.232348 0.667843 0.707107 -0.232348 0.328590 -0.000000 0.944473 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 4 H 0.50271 -1.87616 1.85792 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ 0.140285 -0.237283 0.096998 0.108995 -0.037238 0.138972 Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -0.316544 0.169490 0.147053 0.070881 -0.244448 0.965926 -0.085045 0.912291 0.258819 0.317394 -0.328590 -0.000001 0.944473 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 5 H -1.87616 0.50271 1.85792 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ -0.237283 0.140285 0.096998 0.108995 0.138972 -0.037238 Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -0.316544 0.169490 0.147053 0.070881 0.912291 0.258819 0.317394 -0.244448 0.965926 -0.085045 -0.328590 -0.000001 0.944473 --------------------- Electron/spin density --------------------- 1 a.u. = 4.80286 10**(-10) esu Total electron density ---------------------- Point X Y Z Density (a.u.) 1 C 0.00000 0.00000 1.19651 119.562282 2 F 0.00000 0.00000 -1.41698 426.509998 3 H 1.37344 1.37344 1.85792 0.453565 4 H 0.50271 -1.87616 1.85792 0.453565 5 H -1.87616 0.50271 1.85792 0.453565 ----------------------------------------- Chemical Shielding Tensors (GIAO, in ppm) ----------------------------------------- NWChem CPHF Module ------------------ scftype = RHF nclosed = 9 nopen = 0 variables = 234 # of vectors = 3 tolerance = 0.10D-03 level shift = 0.00D+00 max iterations = 50 max subspace = 30 SCF residual: 1.1790757820304570E-005 Iterative solution of linear equations No. of variables 234 No. of equations 3 Maximum subspace 30 Iterations 50 Convergence 1.0D-04 Start time 33.1 iter nsub residual time ---- ------ -------- --------- 1 3 1.62D-01 40.4 2 6 3.19D-03 48.2 3 9 2.54D-04 56.0 4 12 2.12D-05 63.7 Wrote CPHF data to ./ch3f.shieldcphf Calc. par tensor-> nonrel Diamagnetic 243.3437 0.0000 0.0000 0.0000 243.3437 0.0000 Sending upstream hdr.cmd = CMD_STDOUT 0.0000 0.0000 256.9231 Paramagnetic -156.9102 -0.0000 0.0000 -0.0000 -156.9102 0.0000 0.0000 0.0000 -69.0429 Total Shielding Tensor 86.4335 -0.0000 0.0000 -0.0000 86.4335 0.0000 0.0000 0.0000 187.8802 isotropic = 120.2491 anisotropy = 101.4467 Principal Components and Axis System 1 2 3 187.8802 86.4336 86.4335 1 0.0000 0.7088 0.7055 2 0.0000 -0.7055 0.7088 3 1.0000 -0.0000 -0.0000 Atom: 2 F Diamagnetic 464.1771 0.0000 -0.0000 0.0000 464.1771 -0.0000 -0.0000 -0.0000 494.3222 Paramagnetic 18.2994 0.0000 -0.0000 0.0000 18.2994 -0.0000 -0.0000 -0.0000 -86.1030 Total Shielding Tensor 482.4765 0.0000 -0.0000 0.0000 482.4765 -0.0000 -0.0000 -0.0000 408.2192 isotropic = 457.7241 anisotropy = 37.1287 Principal Components and Axis System 1 2 3 482.4765 482.4765 408.2192 1 0.7076 -0.7066 0.0000 2 0.7066 0.7076 0.0000 3 -0.0000 -0.0000 1.0000 Atom: 3 H Diamagnetic 29.4567 6.2306 4.2423 Sending upstream hdr.cmd = CMD_STDOUT 4.2423 4.2423 28.8017 Paramagnetic Sending upstream hdr.cmd = CMD_STDOUT -2.2972 -4.6836 -2.2972 -4.6836 -2.2972 -2.2972 -2.2972 -2.2972 2.8047 Total Shielding Tensor 27.1594 1.5470 1.9451 1.5470 27.1594 1.9451 1.9451 1.9451 31.6064 isotropic = 28.6417 anisotropy = 6.9363 Principal Components and Axis System 1 2 3 33.2660 27.0469 25.6124 1 0.3653 0.6055 -0.7071 2 0.3653 0.6055 0.7071 3 0.8562 -0.5166 -0.0000 Atom: 4 H Diamagnetic 24.0608 -3.1153 1.5528 1.5528 -5.7951 28.8017 Paramagnetic 1.7589 2.3418 -0.8408 2.3418 -6.3533 3.1380 Sending upstream hdr.cmd = CMD_STDOUT Total Shielding Tensor 25.8197 -0.7735 0.7120 -0.7735 28.4992 -2.6571 0.7120 -2.6571 31.6064 Sending upstream hdr.cmd = CMD_STDOUT isotropic = 28.6417 anisotropy = 6.9363 Principal Components and Axis System 1 2 3 33.2660 27.0469 25.6124 1 0.1337 -0.2216 0.9659 2 -0.4990 0.8271 0.2588 3 0.8562 0.5166 -0.0000 Atom: 5 H Diamagnetic 34.8525 -3.1153 -5.7951 -3.1153 24.0608 1.5528 -5.7951 1.5528 28.8017 Paramagnetic -6.3533 2.3418 3.1380 2.3418 1.7589 -0.8408 3.1380 -0.8408 2.8047 Total Shielding Tensor 28.4992 -0.7735 -2.6571 -0.7735 25.8197 0.7120 -2.6571 0.7120 31.6064 isotropic = 28.6417 anisotropy = 6.9363 Principal Components and Axis System 1 2 3 33.2660 27.0469 25.6124 1 -0.4990 0.8271 0.2588 2 0.1337 -0.2216 0.9659 3 0.8562 0.5166 -0.0000 Task times cpu: 978.1s wall: 56.1s NWChem Input Module ------------------- perdew86 is a nonlocal functional; adding perdew81 local functional. NWChem Property Module ---------------------- ch3f itol2e modified to match energy convergence criterion. NWChem DFT Module ----------------- ch3f Summary of "ao basis" -> "ao basis" (cartesian) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- f 6-311G 7 13 4s3p Sending upstream hdr.cmd = CMD_STDOUT h 6-311G 3 3 3s Caching 1-el integrals itol2e modified to match energy convergence criterion. General Information ------------------- SCF calculation type: DFT Wavefunction type: closed shell. No. of atoms : 5 No. of electrons : 18 Alpha electrons : 9 Beta electrons : 9 Charge : 0 Spin multiplicity: 1 Use of symmetry is: off; symmetry adaption is: off Maximum number of iterations: 50 This is a Direct SCF calculation. AO basis - number of functions: 35 number of shells: 23 Convergence on energy requested: 1.00D-07 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 XC Information -------------- Becke 1988 Exchange Functional 1.000 Perdew 1981 Correlation Functional 1.000 local Perdew 1986 Correlation Functional 1.000 non-local Grid Information ---------------- Grid used for XC integration: fine Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- c 0.70 70 7.0 590 f 0.50 70 7.0 590 h 0.35 60 8.0 590 Grid pruning is: on Number of quadrature shells: 320 Spatial weights used: Erf1 Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information ------------------------------- Density screening/tol_rho: 1.00D-11 AO Gaussian exp screening on grid/accAOfunc: 16 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 Loading old vectors from job with title : ch3f Time after variat. SCF: 64.2 Time prior to 1st pass: 64.2 Grid_pts file = ./ch3f.gridpts.0 Record size in doubles = 12289 No. of grid_pts per rec = 3070 Max. records in memory = 35 Max. recs in file = 506625431 Memory utilization after 1st SCF pass: Heap Space remaining (MW): 0.00 54 Stack Space remaining (MW): 26.21 26214036 convergence iter energy DeltaE RMS-Dens Diis-err time ---------------- ----- ----------------- --------- --------- --------- ------ d= 0,ls=0.0,diis 1 -139.7467730647 -1.77D+02 2.54D-03 2.82D-02 66.3 d= 0,ls=0.0,diis 2 -139.7467713588 1.71D-06 2.03D-03 7.22D-03 68.3 d= 0,ls=0.0,diis 3 -139.7464756599 2.96D-04 1.03D-03 1.19D-02 70.2 d= 0,ls=0.0,diis 4 -139.7473657165 -8.90D-04 4.47D-05 7.29D-06 72.4 d= 0,ls=0.0,diis 5 -139.7473664220 -7.05D-07 9.93D-06 4.24D-07 74.6 d= 0,ls=0.0,diis 6 -139.7473665236 -1.02D-07 1.97D-06 9.37D-09 76.8 d= 0,ls=0.0,diis 7 -139.7473665247 -1.06D-09 8.13D-08 1.01D-11 79.1 Total DFT energy = -139.747366524682 One electron energy = -266.536509559830 Coulomb energy = 106.398306821875 Exchange-Corr. energy = -17.026566357628 Nuclear repulsion energy = 37.417402570901 Numeric. integr. density = 18.000000170237 Total iterative time = 14.9s DFT Final Molecular Orbital Analysis ------------------------------------ Vector 1 Occ=2.000000D+00 E=-2.423835D+01 MO Center= -2.1D-12, -2.0D-12, -7.5D-01, r^2= 1.2D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 0.548751 2 F s 15 0.470728 2 F s Vector 2 Occ=2.000000D+00 E=-9.962340D+00 MO Center= 1.0D-11, 1.0D-11, 6.3D-01, r^2= 2.8D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1 0.564030 1 C s 2 0.462284 1 C s Vector 3 Occ=2.000000D+00 E=-1.091975D+00 MO Center= 7.0D-11, 1.1D-10, -5.4D-01, r^2= 4.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 0.570182 2 F s 23 0.451052 2 F s 15 -0.191985 2 F s 6 0.148851 1 C s 14 -0.119684 2 F s + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + test -r ../testoutputs.doafewqmtests.mpi.2_mpich.log/ch3radical_unrot.out.nwparse + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/ch3radical_unrot.err + for f in $(diff <(grep "Running tests/" ${BUILD_LOG}) <(grep -E "Running tests/|verifying output ... OK" ${BUILD_LOG} | grep "verifying output" -B 1 | grep Running) | grep Running | cut -d' ' -f 4) + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo ++ basename tests/prop_ch3f/prop_ch3f + NAME=prop_ch3f + echo ../testoutputs.doafewqmtests.mpi.2_mpich.log/prop_ch3f.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/prop_ch3f.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + test -r ../testoutputs.doafewqmtests.mpi.2_mpich.log/prop_ch3f.out.nwparse + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/prop_ch3f.out.nwparse + for f in $(diff <(grep "Running tests/" ${BUILD_LOG}) <(grep -E "Running tests/|verifying output ... OK" ${BUILD_LOG} | grep "verifying output" -B 1 | grep Running) | grep Running | cut -d' ' -f 4) + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo ++ basename tests/h2o_bnl/h2o_bnl + NAME=h2o_bnl + echo ../testoutputs.doafewqmtests.mpi.2_mpich.log/h2o_bnl.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/h2o_bnl.out 22 0.088975 2 F pz 9 -0.072034 1 C pz 26 0.056639 2 F pz 2 -0.056103 1 C s 18 0.051979 2 F pz Vector 4 Occ=2.000000D+00 E=-6.402626D-01 MO Center= -7.0D-09, -6.9D-09, 5.8D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.464564 1 C s 10 0.322015 1 C s 23 -0.219968 2 F s 19 -0.200234 2 F s 2 -0.166193 1 C s 22 0.107064 2 F pz 1 -0.105442 1 C s 27 0.092044 3 H s 30 0.092044 4 H s 33 0.092044 5 H s Vector 5 Occ=2.000000D+00 E=-4.320194D-01 MO Center= 9.6D-02, 9.7D-02, 3.4D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 0.206841 1 C px 8 0.206254 1 C py 20 0.157844 2 F px 21 0.157396 2 F py 28 0.156714 3 H s 27 0.137152 3 H s 24 0.135318 2 F px 25 0.134934 2 F py 11 0.133935 1 C px 12 0.133555 1 C py Vector 6 Occ=2.000000D+00 E=-4.320194D-01 MO Center= -9.6D-02, -9.7D-02, 3.4D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 0.206254 1 C px 8 -0.206841 1 C py 20 0.157396 2 F px 21 -0.157844 2 F py 31 0.135829 4 H s 24 0.134934 2 F px 25 -0.135318 2 F py 34 -0.135607 5 H s 11 0.133555 1 C px 12 -0.133935 1 C py Vector 7 Occ=2.000000D+00 E=-4.314125D-01 MO Center= -1.8D-06, -1.8D-06, -3.0D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 22 0.356500 2 F pz 26 0.310771 2 F pz 9 -0.254915 1 C pz 18 0.251125 2 F pz 5 -0.158518 1 C pz 23 -0.159202 2 F s 19 -0.134300 2 F s 10 -0.096074 1 C s 13 -0.076289 1 C pz 27 -0.050668 3 H s Vector 8 Occ=2.000000D+00 E=-2.860049D-01 MO Center= 7.5D-02, 7.5D-02, -2.5D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 24 0.285713 2 F px 25 0.286765 2 F py 20 0.274129 2 F px 21 0.275139 2 F py 28 -0.218928 3 H s 16 0.198472 2 F px 17 0.199202 2 F py 27 -0.113351 3 H s 7 -0.111634 1 C px 8 -0.112045 1 C py Vector 9 Occ=2.000000D+00 E=-2.860049D-01 MO Center= -7.5D-02, -7.5D-02, -2.5D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 24 0.286765 2 F px 25 -0.285713 2 F py 20 0.275139 2 F px 21 -0.274129 2 F py 16 0.199203 2 F px 17 -0.198472 2 F py 31 -0.189396 4 H s 34 0.189798 5 H s 7 -0.112045 1 C px 8 0.111634 1 C py Vector 10 Occ=0.000000D+00 E= 3.780090D-02 MO Center= -7.0D-07, -7.0D-07, 1.0D+00, r^2= 4.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 1.807163 1 C s 29 -0.878122 3 H s 32 -0.878124 4 H s 35 -0.878124 5 H s 13 0.501355 1 C pz 6 0.217552 1 C s 9 0.153822 1 C pz 23 0.138527 2 F s 28 -0.121226 3 H s 31 -0.121226 4 H s Vector 11 Occ=0.000000D+00 E= 6.054155D-02 MO Center= 3.9D-08, 3.8D-08, 5.6D-01, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 0.989157 1 C pz 10 -0.806133 1 C s 23 0.783867 2 F s 26 0.484937 2 F pz 9 0.297347 1 C pz 22 0.241339 2 F pz 6 -0.231499 1 C s 29 0.183962 3 H s 32 0.183962 4 H s 35 0.183962 5 H s Vector 12 Occ=0.000000D+00 E= 9.291427D-02 MO Center= 4.9D-01, 4.9D-01, 1.1D+00, r^2= 4.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 29 1.882881 3 H s 32 -0.940994 4 H s 35 -0.941886 5 H s 11 -0.772811 1 C px 12 -0.772388 1 C py 7 -0.213534 1 C px 8 -0.213417 1 C py 28 0.164191 3 H s 3 -0.133141 1 C px 4 -0.133068 1 C py Vector 13 Occ=0.000000D+00 E= 9.291428D-02 MO Center= -4.9D-01, -4.9D-01, 1.1D+00, r^2= 4.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.630880 4 H s 35 -1.630365 5 H s 11 -0.772389 1 C px 12 0.772811 1 C py 7 -0.213417 1 C px 8 0.213534 1 C py 31 0.142216 4 H s 34 -0.142171 5 H s 3 -0.133068 1 C px 4 0.133141 1 C py Vector 14 Occ=0.000000D+00 E= 2.812990D-01 MO Center= 1.3D-01, 1.3D-01, 6.4D-01, r^2= 3.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 31 -1.127056 4 H s 34 1.126968 5 H s 11 1.043843 1 C px 12 -1.043984 1 C py 32 0.312165 4 H s 35 -0.312140 5 H s 24 -0.185182 2 F px 25 0.185207 2 F py 30 -0.082836 4 H s 33 0.082830 5 H s Vector 15 Occ=0.000000D+00 E= 2.812992D-01 MO Center= -1.3D-01, -1.3D-01, 6.4D-01, r^2= 3.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 1.301362 3 H s 11 -1.043982 1 C px 12 -1.043842 1 C py 31 -0.650604 4 H s 34 -0.650756 5 H s 29 -0.360444 3 H s 24 0.185207 2 F px 25 0.185182 2 F py 32 0.180201 4 H s 35 0.180243 5 H s Vector 16 Occ=0.000000D+00 E= 3.810331D-01 MO Center= -7.8D-08, -7.8D-08, 7.3D-01, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 1.253260 1 C pz 9 -0.736776 1 C pz 6 0.501829 1 C s 28 -0.479977 3 H s 31 -0.479978 4 H s 34 -0.479978 5 H s 10 0.468114 1 C s 23 0.322392 2 F s 5 -0.260085 1 C pz 22 -0.231116 2 F pz Vector 17 Occ=0.000000D+00 E= 4.359147D-01 MO Center= -5.2D-07, -5.2D-07, 7.0D-01, r^2= 2.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 1.588960 1 C s 28 -1.110904 3 H s 31 -1.110905 4 H s 34 -1.110905 5 H s 9 0.509821 1 C pz 23 -0.456123 2 F s 13 -0.327061 1 C pz 29 0.313180 3 H s 32 0.313182 4 H s 35 0.313182 5 H s Vector 18 Occ=0.000000D+00 E= 5.185140D-01 MO Center= -1.9D-01, -1.9D-01, 8.6D-01, r^2= 3.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.732856 4 H s 35 -1.733223 5 H s 11 -1.407418 1 C px 12 1.406902 1 C py 7 0.724655 1 C px 8 -0.724389 1 C py 31 -0.422291 4 H s 34 0.422381 5 H s 3 0.193271 1 C px 4 -0.193201 1 C py Vector 19 Occ=0.000000D+00 E= 5.185141D-01 MO Center= 1.9D-01, 1.9D-01, 8.6D-01, r^2= 3.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 29 2.001141 3 H s 11 -1.406902 1 C px 12 -1.407418 1 C py 32 -1.000888 4 H s 35 -1.000253 5 H s 7 0.724389 1 C px 8 0.724654 1 C py 28 -0.487672 3 H s 31 0.243912 4 H s 34 0.243757 5 H s Vector 20 Occ=0.000000D+00 E= 6.744751D-01 MO Center= 1.7D-07, 1.7D-07, 9.4D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 5.117510 1 C s 6 -2.052225 1 C s 29 -0.950733 3 H s 32 -0.950732 4 H s 35 -0.950732 5 H s 13 0.565963 1 C pz 23 -0.501663 2 F s 28 -0.467151 3 H s 31 -0.467152 4 H s 34 -0.467152 5 H s Vector 21 Occ=0.000000D+00 E= 9.702560D-01 MO Center= 1.1D-07, 1.1D-07, -1.2D+00, r^2= 9.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 26 1.352964 2 F pz 22 -0.710927 2 F pz 6 -0.588506 1 C s 19 0.433654 2 F s 9 0.406817 1 C pz 23 -0.278237 2 F s 10 0.236557 1 C s 18 -0.217935 2 F pz 13 -0.102775 1 C pz 15 -0.077832 2 F s Vector 22 Occ=0.000000D+00 E= 9.973331D-01 MO Center= 2.9D-02, 2.9D-02, -7.2D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 24 0.945325 2 F px 25 -0.945356 2 F py 20 -0.549923 2 F px 21 0.549941 2 F py 11 -0.536339 1 C px 12 0.536356 1 C py 31 0.298309 4 H s 34 -0.298303 5 H s 16 -0.187616 2 F px 17 0.187622 2 F py Vector 23 Occ=0.000000D+00 E= 9.973332D-01 MO Center= -2.9D-02, -2.9D-02, -7.2D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 24 0.945356 2 F px 25 0.945326 2 F py 20 -0.549941 2 F px 21 -0.549923 2 F py 11 -0.536357 1 C px 12 -0.536340 1 C py 28 0.344454 3 H s 16 -0.187622 2 F px 17 -0.187616 2 F py 31 -0.172222 4 H s Vector 24 Occ=0.000000D+00 E= 1.626338D+00 MO Center= -2.5D-07, -2.5D-07, -3.6D-01, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 23 -3.005639 2 F s 10 2.748949 1 C s 19 1.775006 2 F s 26 -1.359979 2 F pz 9 -0.659813 1 C pz 13 -0.487606 1 C pz 28 -0.460752 3 H s 31 -0.460753 4 H s 34 -0.460753 5 H s 22 0.288636 2 F pz Vector 25 Occ=0.000000D+00 E= 2.114211D+00 MO Center= 6.1D-08, 5.9D-08, 9.7D-01, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 1.472325 3 H s 31 1.472325 4 H s 34 1.472325 5 H s 10 -1.311435 1 C s 27 -0.866201 3 H s 30 -0.866201 4 H s 33 -0.866201 5 H s 23 0.485484 2 F s 9 -0.392162 1 C pz 5 0.330301 1 C pz Vector 26 Occ=0.000000D+00 E= 2.130024D+00 MO Center= 3.7D-01, 3.7D-01, 9.9D-01, r^2= 1.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 1.778767 3 H s 27 -1.154628 3 H s 29 -0.999072 3 H s 31 -0.887709 4 H s 34 -0.891058 5 H s 30 0.576227 4 H s 33 0.578401 5 H s 7 -0.506603 1 C px 8 -0.505503 1 C py 32 0.498596 4 H s Vector 27 Occ=0.000000D+00 E= 2.130024D+00 MO Center= -3.7D-01, -3.7D-01, 9.9D-01, r^2= 1.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 31 1.541425 4 H s 34 -1.539491 5 H s 30 -1.000565 4 H s 33 0.999310 5 H s 32 -0.865765 4 H s 35 0.864679 5 H s 7 -0.505503 1 C px 8 0.506603 1 C py 3 0.351562 1 C px 4 -0.352327 1 C py Vector 28 Occ=0.000000D+00 E= 2.691659D+00 MO Center= 8.4D-09, 8.4D-09, 7.4D-01, r^2= 8.5D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.668895 1 C pz 5 -1.305407 1 C pz 10 -1.087742 1 C s 13 -0.717737 1 C pz 28 0.433322 3 H s 31 0.433321 4 H s 34 0.433321 5 H s 26 0.302374 2 F pz 27 -0.287141 3 H s 30 -0.287141 4 H s Vector 29 Occ=0.000000D+00 E= 2.754152D+00 MO Center= 1.1D-02, 1.1D-02, 6.3D-01, r^2= 9.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 1.131280 1 C px 8 -1.129678 1 C py 3 -0.888996 1 C px 4 0.887736 1 C py 11 -0.786629 1 C px 12 0.785515 1 C py 30 -0.535825 4 H s 33 0.536264 5 H s 31 0.426314 4 H s 34 -0.426663 5 H s Vector 30 Occ=0.000000D+00 E= 2.754152D+00 MO Center= -1.1D-02, -1.1D-02, 6.3D-01, r^2= 9.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 1.129678 1 C px 8 1.131280 1 C py 3 -0.887736 1 C px 4 -0.888996 1 C py 11 -0.785515 1 C px 12 -0.786629 1 C py 27 -0.618970 3 H s 28 0.492466 3 H s 29 0.422651 3 H s 30 0.309865 4 H s Vector 31 Occ=0.000000D+00 E= 5.954616D+00 MO Center= -1.8D-03, -1.8D-03, -7.5D-01, r^2= 3.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 1.003061 2 F px 21 1.000515 2 F py 16 -0.884689 2 F px 17 -0.882444 2 F py 24 -0.450529 2 F px 25 -0.449386 2 F py 11 0.197270 1 C px 12 0.196770 1 C py 28 -0.091411 3 H s 29 -0.074867 3 H s Vector 32 Occ=0.000000D+00 E= 5.954616D+00 MO Center= 1.8D-03, 1.8D-03, -7.5D-01, r^2= 3.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 1.000515 2 F px 21 -1.003061 2 F py 16 -0.882444 2 F px 17 0.884689 2 F py 24 -0.449386 2 F px 25 0.450529 2 F py 11 0.196770 1 C px 12 -0.197270 1 C py 31 -0.079222 4 H s 34 0.079106 5 H s Vector 33 Occ=0.000000D+00 E= 5.967856D+00 MO Center= -7.1D-08, -7.0D-08, -7.9D-01, r^2= 3.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 22 1.451307 2 F pz 18 -1.254797 2 F pz 26 -0.723436 2 F pz 23 -0.346565 2 F s 10 0.325226 1 C s 13 -0.181423 1 C pz 19 0.159852 2 F s 9 0.084901 1 C pz 5 -0.076654 1 C pz 29 -0.030047 3 H s Vector 34 Occ=0.000000D+00 E= 2.304592D+01 MO Center= -6.8D-11, -6.8D-11, 6.3D-01, r^2= 9.6D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 -2.173690 1 C s 1 2.025508 1 C s 10 -0.505165 1 C s 6 0.470149 1 C s 29 0.100802 3 H s 32 0.100802 4 H s 35 0.100802 5 H s 13 -0.047523 1 C pz 26 -0.028869 2 F pz Vector 35 Occ=0.000000D+00 E= 6.623575D+01 MO Center= -2.5D-11, -2.4D-11, -7.5D-01, r^2= 2.7D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 15 -2.394845 2 F s 14 2.325469 2 F s 23 -0.236576 2 F s 19 0.210315 2 F s 10 0.167769 1 C s 26 -0.072644 2 F pz 13 -0.049032 1 C pz 28 -0.033272 3 H s 31 -0.033272 4 H s 34 -0.033272 5 H s center of mass -------------- x = -0.00000000 y = -0.00000000 z = -0.20412880 moments of inertia (a.u.) ------------------ 70.047499012709 -0.000000000000 0.000000000000 -0.000000000000 70.047499012709 0.000000000000 0.000000000000 0.000000000000 11.406608960443 Multipole analysis of the density --------------------------------- L x y z total alpha beta nuclear - - - - ----- ----- ---- ------- 0 0 0 0 -0.000000 -9.000000 -9.000000 18.000000 1 1 0 0 -0.000000 -0.000000 -0.000000 -0.000000 1 0 1 0 -0.000000 -0.000000 -0.000000 -0.000000 1 0 0 1 0.806273 0.403137 0.403137 -0.000000 2 2 0 0 -8.798077 -7.228550 -7.228550 5.659023 2 1 1 0 -0.000000 -0.000000 -0.000000 0.000000 2 1 0 1 -0.000000 -0.000000 -0.000000 -0.000000 2 0 2 0 -8.798077 -7.228550 -7.228550 5.659023 2 0 1 1 -0.000000 -0.000000 -0.000000 -0.000000 2 0 0 2 -9.329258 -23.172563 -23.172563 37.015869 ------------- Dipole Moment ------------- Center of charge (in au) is the expansion point X = -0.0000000 Y = -0.0000000 Z = -0.0000000 Dipole moment 0.8062730810 A.U. DMX -0.0000000316 DMXEFC 0.0000000000 DMY -0.0000000317 DMYEFC 0.0000000000 DMZ 0.8062730810 DMZEFC 0.0000000000 -EFC- dipole 0.0000000000 A.U. Total dipole 0.8062730810 A.U. Dipole moment 2.0493572461 Debye(s) DMX -0.0000000802 DMXEFC 0.0000000000 DMY -0.0000000805 DMYEFC 0.0000000000 DMZ 2.0493572461 DMZEFC 0.0000000000 -EFC- dipole 0.0000000000 DEBYE(S) Total dipole 2.0493572461 DEBYE(S) 1 a.u. = 2.541766 Debyes ----------------- Quadrupole Moment ----------------- Center of charge (in au) is the expansion point X = -0.0000000 Y = -0.0000000 Z = -0.0000000 < R**2 > = 75.259327 a.u. ( 1 a.u. = 0.280023 10**(-16) cm**2 ) ( also called diamagnetic susceptibility ) Second moments in atomic units Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX -8.7980774730 0.0000000000 -8.7980774730 YY -8.7980774723 0.0000000000 -8.7980774723 ZZ -9.3292577854 0.0000000000 -9.3292577854 XY -0.0000000774 0.0000000000 -0.0000000774 XZ -0.0000003901 0.0000000000 -0.0000003901 YZ -0.0000003904 0.0000000000 -0.0000003904 Second moments in buckingham(s) Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX -11.8326311723 0.0000000000 -11.8326311723 YY -11.8326311714 0.0000000000 -11.8326311714 ZZ -12.5470214174 0.0000000000 -12.5470214174 XY -0.0000001042 0.0000000000 -0.0000001042 XZ -0.0000005246 0.0000000000 -0.0000005246 YZ -0.0000005251 0.0000000000 -0.0000005251 Quadrupole moments in atomic units Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX 0.2655901558 0.0000000000 0.2655901558 YY 0.2655901569 0.0000000000 0.2655901569 ZZ -0.5311803127 0.0000000000 -0.5311803127 XY -0.0000001162 0.0000000000 -0.0000001162 XZ -0.0000005851 0.0000000000 -0.0000005851 YZ -0.0000005856 0.0000000000 -0.0000005856 Quadrupole moments in buckingham(s) Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XX 0.3571951221 0.0000000000 0.3571951221 YY 0.3571951235 0.0000000000 0.3571951235 ZZ -0.7143902456 0.0000000000 -0.7143902456 XY -0.0000001562 0.0000000000 -0.0000001562 XZ -0.0000007869 0.0000000000 -0.0000007869 YZ -0.0000007876 0.0000000000 -0.0000007876 1 a.u. = 1.344911 Buckinghams = 1.344911 10**(-26) esu*cm**2 --------------- Octupole Moment --------------- Center of charge (in au) is the expansion point X = -0.0000000 Y = -0.0000000 Z = -0.0000000 Third moments in atomic units Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -0.5533492872 0.0000000000 -0.5533492872 YYY -0.5533492879 0.0000000000 -0.5533492879 ZZZ -5.6815285329 0.0000000000 -5.6815285329 XXY 0.5533483345 0.0000000000 0.5533483345 XXZ -1.7002365161 0.0000000000 -1.7002365161 YYX 0.5533483352 0.0000000000 0.5533483352 YYZ -1.7002365146 0.0000000000 -1.7002365146 ZZX -0.0000005474 0.0000000000 -0.0000005474 ZZY -0.0000005490 0.0000000000 -0.0000005490 XYZ 0.0000000727 0.0000000000 0.0000000727 Third moments in 10**(-34) esu*cm**3 Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -0.3938120475 0.0000000000 -0.3938120475 YYY -0.3938120480 0.0000000000 -0.3938120480 ZZZ -4.0434756785 0.0000000000 -4.0434756785 XXY 0.3938113695 0.0000000000 0.3938113695 XXZ -1.2100379256 0.0000000000 -1.2100379256 YYX 0.3938113699 0.0000000000 0.3938113699 YYZ -1.2100379246 0.0000000000 -1.2100379246 ZZX -0.0000003896 0.0000000000 -0.0000003896 ZZY -0.0000003907 0.0000000000 -0.0000003907 XYZ 0.0000000518 0.0000000000 0.0000000518 Octupole moments in atomic units Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -1.3833709689 0.0000000000 -1.3833709689 YYY -1.3833709661 0.0000000000 -1.3833709661 ZZZ -0.5808189869 0.0000000000 -0.5808189869 XXY 1.3833715874 0.0000000000 1.3833715874 XXZ 0.2904094916 0.0000000000 0.2904094916 YYX 1.3833715876 0.0000000000 1.3833715876 YYZ 0.2904094953 0.0000000000 0.2904094953 ZZX -0.0000006187 0.0000000000 -0.0000006187 ZZY -0.0000006213 0.0000000000 -0.0000006213 XYZ 0.0000001818 0.0000000000 0.0000001818 Octupole moments in 10**(-34) esu*cm**3 Component Electronic+nuclear Point charges Total -------------------------------------------------------------------------- XXX -0.9845285181 0.0000000000 -0.9845285181 YYY -0.9845285161 0.0000000000 -0.9845285161 ZZZ -0.4133619032 0.0000000000 -0.4133619032 XXY 0.9845289583 0.0000000000 0.9845289583 XXZ 0.2066809503 0.0000000000 0.2066809503 YYX 0.9845289584 0.0000000000 0.9845289584 YYZ 0.2066809529 0.0000000000 0.2066809529 ZZX -0.0000004403 0.0000000000 -0.0000004403 ZZY -0.0000004422 0.0000000000 -0.0000004422 XYZ 0.0000001294 0.0000000000 0.0000001294 1 a.u. = 0.711688 10**(-34) esu*cm**3 ---------------------------- Mulliken population analysis ---------------------------- Total S,P,D,... shell population -------------------------------- Atom S P -------------------------------------------------------------------------------------- 1 C 3.33019 2.88488 2 F 3.98613 5.34058 3 H 0.81941 0.00000 4 H 0.81941 0.00000 5 H 0.81941 0.00000 ----- Total gross population on atoms ---- 1 C 6.0 6.21507 2 F 9.0 9.32671 3 H 1.0 0.81941 4 H 1.0 0.81941 5 H 1.0 0.81941 ----- Bond indices ----- 1- 1 0.00000 1- 2 0.83218 1- 3 0.91835 1- 4 0.91835 1- 5 0.91835 2- 1 0.83218 2- 2 0.00000 2- 3 0.01917 2- 4 0.01917 2- 5 0.01917 3- 1 0.91835 3- 2 0.01917 3- 3 0.00000 3- 4 -0.00999 3- 5 -0.00999 4- 1 0.91835 4- 2 0.01917 4- 3 -0.00999 4- 4 0.00000 4- 5 -0.00999 5- 1 0.91835 5- 2 0.01917 5- 3 -0.00999 5- 4 -0.00999 5- 5 0.00000 Large bond indices ------------------ 1 C - 2 F 0.83218 1 C - 3 H 0.91835 1 C - 4 H 0.91835 1 C - 5 H 0.91835 Free electrons Valency Number of Sum of + Bond indices - Bond indices Valency Free electrons Bond indices =Mulliken charge = Net spin population 1 C 3.58724 2.62783 3.58724 6.21507 -0.00000 2 F 0.88970 8.43701 0.88970 9.32671 -0.00000 3 H 0.91754 -0.09813 0.91754 0.81941 -0.00000 4 H 0.91754 -0.09813 0.91754 0.81941 -0.00000 5 H 0.91754 -0.09813 0.91754 0.81941 -0.00000 --------------------------------------------- Electrostatic potential/diamagnetic shielding --------------------------------------------- 1 a.u. = 9.07618 esu/cm ( or statvolts ) Point X Y Z Total Potential(a.u.) Diamagnetic shielding(a.u.) 1 C 0.00000 0.00000 1.19651 -14.721941 19.627697 2 F 0.00000 0.00000 -1.41698 -26.637119 29.720803 3 H 1.37344 1.37344 1.85792 -1.093739 6.976112 4 H 0.50271 -1.87616 1.85792 -1.093739 6.976112 5 H -1.87616 0.50271 1.85792 -1.093739 6.976112 scftyp:RHF theory:dft -------------- Electric field -------------- 1 a.u. = 0.171524 10**(-8) dyn/esu Atom X Y Z Electric field (a.u.) X Y Z Field ------------------------------------------------------------------------------------------------ 1 C 0.00000 0.00000 1.19651 0.000000 0.000000 0.027394 0.027394 2 F 0.00000 0.00000 -1.41698 0.000000 0.000000 -0.143951 0.143951 3 H 1.37344 1.37344 1.85792 0.044732 0.044732 0.017030 0.065513 4 H 0.50271 -1.87616 1.85792 0.016373 -0.061105 0.017030 0.065513 5 H -1.87616 0.50271 1.85792 -0.061105 0.016373 0.017030 0.065513 ----------------------- Electric field gradient ----------------------- 1 a.u. = 0.324123 10**(16) esu/cm**3 ( or statvolts/cm**2 ) = 0.97174 10**(22) v/m**2 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ Sending upstream hdr.cmd = CMD_STDOUT 1 C 0.00000 0.00000 1.19651 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ 0.271357 0.271357 -0.542714 -0.000000 0.000000 0.000000 of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT -0.542714 0.271357 0.271357 0.000000 -0.000000 -0.706841 0.707372 -0.000000 0.707372 0.706841 1.000000 0.000000 0.000000 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 2 F 0.00000 0.00000 -1.41698 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ 1.712511 1.712511 -3.425022 -0.000001 0.000000 0.000000 Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -3.425022 1.712511 1.712510 0.000000 -0.000000 -0.707051 0.707163 -0.000000 0.707163 0.707051 1.000000 -0.000000 0.000000 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 3 H 1.37344 1.37344 1.85792 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta Sending upstream hdr.cmd = CMD_STDOUT -0.316855 0.169552 0.147303 0.070216 0.667790 -0.707107 -0.232499 Sending upstream hdr.cmd = CMD_STDOUT 0.667790 0.707107 -0.232499 0.328803 0.000000 0.944398 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 4 H 0.50271 -1.87616 1.85792 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ 0.140330 -0.237453 0.097122 0.109056 -0.037304 0.139220 Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -0.316855 0.169552 0.147303 0.070216 -0.244428 0.965926 -0.085101 0.912219 0.258819 0.317600 -0.328803 0.000000 0.944398 ------------------------------------------------------------ Atom X Y Z ------------------------------------------------------------ 5 H -1.87616 0.50271 1.85792 ------------------------------------------------------------ Electric field gradient in molecular frame (a.u.) XX YY ZZ XY XZ YZ ------------------------------------------------------------------------------------------ -0.237453 0.140330 0.097122 0.109056 0.139220 -0.037304 Principal components (a.u.) and orientation of principal axis w.r.t. absolute frame Asymmetry parameter eta -------------------------------------------------------------------------------------- -0.316855 0.169552 0.147303 0.070216 0.912219 0.258819 0.317600 -0.244428 0.965926 -0.085101 -0.328803 0.000000 0.944398 --------------------- Electron/spin density --------------------- 1 a.u. = 4.80286 10**(-10) esu Total electron density ---------------------- Point X Y Z Density (a.u.) 1 C 0.00000 0.00000 1.19651 119.889059 2 F 0.00000 0.00000 -1.41698 427.521054 3 H 1.37344 1.37344 1.85792 0.449876 4 H 0.50271 -1.87616 1.85792 0.449876 5 H -1.87616 0.50271 1.85792 0.449876 ----------------------------------------- Chemical Shielding Tensors (GIAO, in ppm) ----------------------------------------- NWChem CPHF Module ------------------ scftype = RHF nclosed = 9 nopen = 0 variables = 234 # of vectors = 3 tolerance = 0.10D-03 level shift = 0.00D+00 max iterations = 50 max subspace = 30 SCF residual: 8.2865064611284227E-007 Iterative solution of linear equations No. of variables 234 No. of equations 3 Maximum subspace 30 Iterations 50 Convergence 1.0D-04 Start time 91.7 iter nsub residual time ---- ------ -------- --------- 1 3 3.16D-07 99.8 Wrote CPHF data to ./ch3f.shieldcphf Calc. par tensor-> nonrel Atom: 1 C Diamagnetic 244.8209 0.0000 -0.0000 0.0000 244.8209 -0.0000 -0.0000 -0.0000 258.1220 Paramagnetic 0.0000 -159.7597 0.0000 0.0000 0.0000 -70.2467 Total Shielding Tensor 85.0612 0.0000 0.0000 0.0000 85.0612 0.0000 0.0000 0.0000 187.8753 Sending upstream hdr.cmd = CMD_STDOUT anisotropy = 102.8141 Sending upstream hdr.cmd = CMD_STDOUT Principal Components and Axis System 1 2 3 Sending upstream hdr.cmd = CMD_STDOUT 187.8753 85.0612 85.0612 1 0.0000 0.7071 0.7071 2 0.0000 0.7071 -0.7071 3 1.0000 -0.0000 0.0000 Atom: 2 F Diamagnetic 463.2958 -0.0000 -0.0000 -0.0000 463.2958 -0.0000 -0.0000 -0.0000 494.7407 Paramagnetic 15.0582 -0.0001 -0.0000 -0.0001 15.0582 -0.0000 -0.0000 -0.0000 -99.3995 Total Shielding Tensor 478.3540 -0.0001 -0.0000 -0.0001 478.3540 -0.0000 -0.0000 -0.0000 395.3412 isotropic = 450.6831 anisotropy = 41.5066 Principal Components and Axis System 1 2 3 478.3541 478.3539 395.3412 1 -0.7070 0.7072 0.0000 2 0.7072 0.7070 0.0000 3 0.0000 -0.0000 1.0000 Atom: 3 H Diamagnetic 29.4966 6.3885 4.3095 6.3885 29.4966 4.3095 4.3095 4.3095 28.7305 Paramagnetic -2.5426 -4.8950 -2.3430 -4.8950 -2.5426 -2.3430 -2.3430 -2.3430 2.7197 Total Shielding Tensor 26.9541 1.4934 1.9665 1.4934 26.9541 1.9665 1.9665 1.9665 31.4503 isotropic = 28.4528 anisotropy = 6.9848 Principal Components and Axis System 1 2 3 33.1093 26.7884 25.4606 1 0.3623 0.6073 -0.7071 2 0.3623 0.6073 0.7071 3 0.8588 -0.5123 -0.0000 Atom: 4 H Diamagnetic 23.9641 -3.1942 1.5774 -3.1942 35.0292 -5.8869 1.5774 -5.8869 28.7305 Paramagnetic 1.6966 2.4475 -0.8576 2.4475 -6.7818 3.2006 -0.8576 3.2006 2.7197 Total Shielding Tensor 25.6607 -0.7467 0.7198 -0.7467 28.2474 -2.6863 0.7198 -2.6863 31.4503 isotropic = 28.4528 anisotropy = 6.9848 Principal Components and Axis System 1 2 3 33.1093 26.7884 25.4606 1 0.1326 -0.2223 0.9659 2 -0.4949 0.8295 0.2588 3 0.8588 0.5123 -0.0000 Atom: 5 H Diamagnetic 35.0292 -3.1942 -5.8869 -3.1942 23.9641 1.5774 -5.8869 1.5774 28.7305 Paramagnetic -6.7818 2.4475 3.2006 2.4475 1.6966 -0.8576 3.2006 -0.8576 2.7197 Total Shielding Tensor 28.2474 -0.7467 -2.6863 -0.7467 25.6607 0.7198 -2.6863 0.7198 31.4503 isotropic = 28.4528 anisotropy = 6.9848 Principal Components and Axis System 1 2 3 33.1093 26.7884 25.4606 1 -0.4949 0.8295 0.2588 2 0.1326 -0.2223 0.9659 3 0.8588 0.5123 -0.0000 Task times cpu: 625.5s wall: 36.1s NWChem Input Module ------------------- Summary of allocated global arrays ----------------------------------- No active global arrays MA_summarize_allocated_blocks: starting scan ... type of elements: double precision number of elements: 33554432 address of client space: 0x10e3f000 index for client space: 8581973 total number of bytes: 268435600 MA_summarize_allocated_blocks: scan completed: 1 heap block, 0 stack blocks MA usage statistics: allocation statistics:Sending upstream hdr.cmd = CMD_STDOUT heap stack ---- ----- current number of blocks 1 0 maximum number of blocks 27 59 current total bytes 268435600 0 maximum total bytes 271892600 22511624 maximum total K-bytes 271893 22512 maximum total M-bytes 272 23 CITATION -------- Please cite the following reference when publishing results obtained with NWChem: E. Apra, E. J. Bylaska, W. A. de Jong, N. Govind, K. Kowalski, T. P. Straatsma, M. Valiev, H. J. J. van Dam, Y. Alexeev, J. Anchell, V. Anisimov, F. W. Aquino, R. Atta-Fynn, J. Autschbach, N. P. Bauman, J. C. Becca, D. E. Bernholdt, K. Bhaskaran-Nair, S. Bogatko, P. Borowski, J. Boschen, J. Brabec, A. Bruner, E. Cauet, Y. Chen, G. N. Chuev, C. J. Cramer, J. Daily, M. J. O. Deegan, T. H. Dunning Jr., M. Dupuis, K. G. Dyall, G. I. Fann, S. A. Fischer, A. Fonari, H. Fruchtl, L. Gagliardi, J. Garza, N. Gawande, S. Ghosh, K. Glaesemann, A. W. Gotz, J. Hammond, V. Helms, E. D. Hermes, K. Hirao, S. Hirata, M. Jacquelin, L. Jensen, B. G. Johnson, H. Jonsson, R. A. Kendall, M. Klemm, R. Kobayashi, V. Konkov, S. Krishnamoorthy, M. Krishnan, Z. Lin, R. D. Lins, R. J. Littlefield, A. J. Logsdail, K. Lopata, W. Ma, A. V. Marenich, J. Martin del Campo, D. Mejia-Rodriguez, J. E. Moore, J. M. Mullin, T. Nakajima, D. R. Nascimento, J. A. Nichols, P. J. Nichols, J. Nieplocha, A. Otero-de-la-Roza, B. Palmer, A. Panyala, T. Pirojsirikul, B. Peng, R. Peverati, J. Pittner, L. Pollack, R. M. Richard, P. Sadayappan, G. C. Schatz, W. A. Shelton, D. W. Silverstein, D. M. A. Smith, T. A. Soares, D. Song, M. Swart, H. L. Taylor, G. S. Thomas, V. Tipparaju, D. G. Truhlar, K. Tsemekhman, T. Van Voorhis, A. Vazquez-Mayagoitia, P. Verma, O. Villa, A. Vishnu, K. D. Vogiatzis, D. Wang, J. H. Weare, M. J. Williamson, T. L. Windus, K. Wolinski, A. T. Wong, Q. Wu, C. Yang, Q. Yu, M. Zacharias, Z. Zhang, Y. Zhao, and R. J. Harrison "NWChem: Past, present, and future J. Chem. Phys. 152, 184102 (2020) doi:10.1063/5.0004997 AUTHORS ------- E. Apra, E. J. Bylaska, N. Govind, K. Kowalski, M. Valiev, D. Mejia-Rodriguez, A. Kunitsa, N. P. Bauman, A. Panyala, W. A. de Jong, T. P. Straatsma, H. J. J. van Dam, D. Wang, T. L. Windus, J. Hammond, J. Autschbach, A. Woods, K. Bhaskaran-Nair, J. Brabec, K. Lopata, S. A. Fischer, S. Krishnamoorthy, M. Jacquelin, W. Ma, M. Klemm, O. Villa, Y. Chen, V. Anisimov, F. Aquino, S. Hirata, M. T. Hackler, E. Hermes, L. Jensen, J. E. Moore, J. C. Becca, V. Konjkov, T. Risthaus, M. Malagoli, A. Marenich, A. Otero-de-la-Roza, J. Mullin, P. Nichols, R. Peverati, J. Pittner, Y. Zhao, P.-D. Fan, A. Fonari, M. J. Williamson, R. J. Harrison, J. R. Rehr, M. Dupuis, D. Silverstein, D. M. A. Smith, J. Nieplocha, V. Tipparaju, M. Krishnan, B. E. Van Kuiken, A. Vazquez-Mayagoitia, M. Swart, Q. Wu, T. Van Voorhis, A. A. Auer, M. Nooijen, L. D. Crosby, E. Brown, G. Cisneros, G. I. Fann, H. Fruchtl, J. Garza, K. Hirao, R. A. Kendall, J. A. Nichols, K. Tsemekhman, K. Wolinski, J. Anchell, D. E. Bernholdt, P. Borowski, T. Clark, D. Clerc, H. Dachsel, M. J. O. Deegan, K. Dyall, D. Elwood, E. Glendening, M. Gutowski, A. C. Hess, J. Jaffe, B. G. Johnson, J. Ju, R. Kobayashi, R. Kutteh, Z. Lin, R. Littlefield, X. Long, B. Meng, T. Nakajima, S. Niu, L. Pollack, M. Rosing, K. Glaesemann, G. Sandrone, M. Stave, H. Taylor, G. Thomas, J. H. van Lenthe, A. T. Wong, Z. Zhang. Total times cpu: 1609.5s wall: 100.2s cmd=finalize cmd=finalize_ack rc=0 cmd=finalize cmd=finalize_ack rc=0 ################################################################################ Effective nuclear repulsion energy (a.u.) 37.42 Total SCF energy = -139.03513 DMX 0.000 DMXEFC 0.000 DMY 0.000 DMYEFC 0.000 DMZ 0.991 DMZEFC 0.000 DMX 0.000 DMXEFC 0.000 DMY 0.000 DMYEFC 0.000 DMZ 2.519 DMZEFC 0.000 XX -8.702 0.000 -8.702 YY -8.702 0.000 -8.702 ZZ -9.405 0.000 -9.405 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XX -11.704 0.000 -11.704 YY -11.704 0.000 -11.704 ZZ -12.649 0.000 -12.649 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XX 0.352 0.000 0.352 YY 0.352 0.000 0.352 ZZ -0.703 0.000 -0.703 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XX 0.473 0.000 0.473 YY 0.473 0.000 0.473 ZZ -0.946 0.000 -0.946 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XXX -0.531 0.000 -0.531 YYY -0.531 0.000 -0.531 XXY 0.531 0.000 0.531 XXZ -1.521 0.000 -1.521 YYX 0.531 0.000 0.531 YYZ -1.521 0.000 -1.521 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 XXX -0.378 0.000 -0.378 YYY -0.378 0.000 -0.378 ZZZ -3.106 0.000 -3.106 XXY 0.378 0.000 0.378 XXZ -1.083 0.000 -1.083 YYX 0.378 0.000 0.378 YYZ -1.083 0.000 -1.083 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 XXX -1.328 0.000 -1.328 YYY -1.328 0.000 -1.328 ZZZ 0.200 0.000 0.200 XXY 1.328 0.000 1.328 XXZ -0.100 0.000 -0.100 YYX 1.328 0.000 1.328 YYZ -0.100 0.000 -0.100 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 XXX -0.945 0.000 -0.945 YYY -0.945 0.000 -0.945 ZZZ 0.142 0.000 0.142 XXY 0.945 0.000 0.945 XXZ -0.071 0.000 -0.071 YYX 0.945 0.000 0.945 YYZ -0.071 0.000 -0.071 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 isotropic = 138.185 anisotropy = 87.995 isotropic = 489.592 anisotropy = 37.365 isotropic = 29.154 anisotropy = 7.162 isotropic = 29.154 anisotropy = 7.162 isotropic = 29.154 anisotropy = 7.162 Total DFT energy = -139.75155 DMX 0.000 DMXEFC 0.000 DMY 0.000 DMYEFC 0.000 DMZ 0.853 DMZEFC 0.000 DMX 0.000 DMXEFC 0.000 DMY 0.000 DMYEFC 0.000 DMZ 2.167 DMZEFC 0.000 XX -8.785 0.000 -8.785 YY -8.785 0.000 -8.785 ZZ -9.358 0.000 -9.358 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XX -11.815 0.000 -11.815 YY -11.815 0.000 -11.815 ZZ -12.586 0.000 -12.586 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XX 0.286 0.000 0.286 YY 0.286 0.000 0.286 ZZ -0.573 0.000 -0.573 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XX 0.385 0.000 0.385 YY 0.385 0.000 0.385 ZZ -0.770 0.000 -0.770 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XXX -0.530 0.000 -0.530 YYY -0.530 0.000 -0.530 ZZZ -5.426 0.000 -5.426 XXY 0.530 0.000 0.530 XXZ -1.705 0.000 -1.705 YYX 0.530 0.000 0.530 YYZ -1.705 0.000 -1.705 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 XXX -0.377 0.000 -0.377 YYY -0.377 0.000 -0.377 ZZZ -3.861 0.000 -3.861 XXY 0.377 0.000 0.377 XXZ -1.214 0.000 -1.214 YYX 0.377 0.000 0.377 YYZ -1.214 0.000 -1.214 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 XXX -1.326 0.000 -1.326 YYY -1.326 0.000 -1.326 ZZZ -0.310 0.000 -0.310 XXY 1.326 0.000 1.326 XXZ 0.155 0.000 0.155 YYX 1.326 0.000 1.326 YYZ 0.155 0.000 0.155 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 XXX -0.944 0.000 -0.944 YYY -0.944 0.000 -0.944 ZZZ -0.220 0.000 -0.220 XXY 0.944 0.000 0.944 XXZ 0.110 0.000 0.110 YYX 0.944 0.000 0.944 YYZ 0.110 0.000 0.110 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 isotropic = 120.249 anisotropy = 101.447 isotropic = 457.724 anisotropy = 37.129 isotropic = 28.642 anisotropy = 6.936 isotropic = 28.642 anisotropy = 6.936 isotropic = 28.642 anisotropy = 6.936 Total DFT energy = -139.74737 DMX 0.000 DMXEFC 0.000 DMY 0.000 DMYEFC 0.000 DMZ 0.806 DMZEFC 0.000 DMX 0.000 DMXEFC 0.000 DMY 0.000 DMYEFC 0.000 DMZ 2.049 DMZEFC 0.000 XX -8.798 0.000 -8.798 YY -8.798 0.000 -8.798 ZZ -9.329 0.000 -9.329 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XX -11.833 0.000 -11.833 YY -11.833 0.000 -11.833 ZZ -12.547 0.000 -12.547 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XX 0.266 0.000 0.266 YY 0.266 0.000 0.266 ZZ -0.531 0.000 -0.531 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XX 0.357 0.000 0.357 YY 0.357 0.000 0.357 ZZ -0.714 0.000 -0.714 XY 0.000 0.000 0.000 XZ 0.000 0.000 0.000 YZ 0.000 0.000 0.000 XXX -0.553 0.000 -0.553 YYY -0.553 0.000 -0.553 ZZZ -5.682 0.000 -5.682 XXY 0.553 0.000 0.553 XXZ -1.700 0.000 -1.700 YYX 0.553 0.000 0.553 YYZ -1.700 0.000 -1.700 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 XXX -0.394 0.000 -0.394 YYY -0.394 0.000 -0.394 ZZZ -4.043 0.000 -4.043 XXY 0.394 0.000 0.394 XXZ -1.210 0.000 -1.210 YYX 0.394 0.000 0.394 YYZ -1.210 0.000 -1.210 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 XXX -1.383 0.000 -1.383 YYY -1.383 0.000 -1.383 ZZZ -0.581 0.000 -0.581 XXY 1.383 0.000 1.383 XXZ 0.290 0.000 0.290 YYX 1.383 0.000 1.383 YYZ 0.290 0.000 0.290 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 XXX -0.985 0.000 -0.985 YYY -0.985 0.000 -0.985 ZZZ -0.413 0.000 -0.413 XXY 0.985 0.000 0.985 XXZ 0.207 0.000 0.207 YYX 0.985 0.000 0.985 YYZ 0.207 0.000 0.207 ZZX 0.000 0.000 0.000 ZZY 0.000 0.000 0.000 XYZ 0.000 0.000 0.000 anisotropy = 102.814 isotropic = 450.683 anisotropy = 41.507 isotropic = 28.453 anisotropy = 6.985 isotropic = 28.453 anisotropy = 6.985 isotropic = 28.453 anisotropy = 6.985 ################################################################################ ../testoutputs.doafewqmtests.mpi.2_mpich.log/h2o_bnl.out ################################################################################ host: builder1.x64.stream.opencloudos.tech [mpiexec@builder1.x64.stream.opencloudos.tech] Timeout set to -1 (-1 means infinite) ================================================================================================== mpiexec options: ---------------- Base path: /usr/lib64/mpich/bin/ Launcher: (null) Debug level: 1 Enable X: -1 Global environment: ------------------- NWCHEM_TARGET=LINUX64 SHELL=/bin/bash RPM_SOURCE_DIR=/builddir/build/SOURCES HISTCONTROL=ignoredups MPI_LIB=/usr/lib64/mpich/lib OMPI_MCA_rmaps_base_oversubscribe=1 PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig HOSTNAME=builder1.x64.stream.opencloudos.tech HISTSIZE=1000 _ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo= __LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1 OMPI_MCA_btl=^uct HYDRA_DEBUG=0 LMOD_DIR=/usr/share/lmod/lmod/libexec FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir LOGNAME=mockbuild MODULESHOME=/usr/share/lmod/lmod MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man MPI_COMPILER=mpich-x86_64 MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich CXX=g++ CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection MPI_INCLUDE=/usr/include/mpich-x86_64 RPM_ARCH=x86_64 MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich MPI_HOME=/usr/lib64/mpich __LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1 LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 HOME=/builddir _ModuleTable_Sz_=2 LANG=C __LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1 RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 LMOD_SETTARG_FULL_SUPPORT=no PROMPT_COMMAND=printf "\033]0;\007" RPM_PACKAGE_RELEASE=1.ocs23 LMOD_VERSION=8.7.31 MPI_SYSCONFIG=/etc/mpich-x86_64 RPM_OS=linux NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/ USE_LIBXC=True MODULEPATH_ROOT=/usr/share/modulefiles LT_SYS_LIBRARY_PATH=/usr/lib64: MALLOC_PERTURB_=41 MPI_SUFFIX=_mpich FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules LMOD_PKG=/usr/share/lmod/lmod TERM=vt100 FLEXIBLAS=openblas-openmp LESSOPEN=||/usr/bin/lesspipe.sh %s USER=mockbuild TIMEOUT_OPTS=--preserve-status --kill-after 10 1800 NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/ MPI_PYTHON_SITEARCH=@py2sitearch@/mpich LOADEDMODULES=mpi/mpich-x86_64 LMOD_ROOT=/usr/share/lmod SHLVL=3 RPM_BUILD_DIR=/builddir/build/BUILD BASH_ENV=/usr/share/lmod/lmod/init/bash LMOD_sys=Linux MPI_BIN=/usr/lib64/mpich/bin RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection __LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1 NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich RPM_DOC_DIR=/usr/share/doc _ModuleTable001_=X01vZHVsZVRhYmxlXyA9IHsKTVR2ZXJzaW9uID0gMywKY19yZWJ1aWxkVGltZSA9IGZhbHNlLApjX3Nob3J0VGltZSA9IGZhbHNlLApkZXB0aFQgPSB7fSwKZmFtaWx5ID0ge30sCm1UID0gewptcGkgPSB7CmZuID0gIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvbXBpL21waWNoLXg4Nl82NCIsCmZ1bGxOYW1lID0gIm1waS9tcGljaC14ODZfNjQiLApsb2FkT3JkZXIgPSAxLApwcm9wVCA9IHt9LApzdGFja0RlcHRoID0gMCwKc3RhdHVzID0gImFjdGl2ZSIsCnVzZXJOYW1lID0gIm1waS9tcGljaC14ODZfNjQiLAp3ViA9ICIqbXBpY2guKnguMDAwMDAwMDg2LipfLjAwMDAwMDA2NC4qemZpbmFsIiwKfSwKfSwKbXBhdGhBID0gewoiL2V0Yy9tb2R1bGVmaWxlcyIsICIvdXNyL3No LD_LIBRARY_PATH=/usr/lib64/mpich/lib MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec OMPI_MCA_btl_base_warn_component_unused=0 RPM_PACKAGE_VERSION=7.2.2 MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich MPI_MAN=/usr/share/man/mpich-x86_64 which_declare=declare -f MPIRUN_NPOPT=-verbose -np CONFIG_SITE=NONE PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core CC=gcc _LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64 CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod MAIL=/var/spool/mail/mockbuild __LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1 RPM_BUILD_NCPUS=32 RPM_PACKAGE_NAME=nwchem NPROC=2 RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" } BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ } BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status } _=/usr/lib64/mpich/bin/mpiexec Hydra internal environment: --------------------------- GFORTRAN_UNBUFFERED_PRECONNECTED=y Proxy information: ********************* [1] proxy: builder1.x64.stream.opencloudos.tech (1 cores) Exec list: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich (2 processes); ================================================================================================== [mpiexec@builder1.x64.stream.opencloudos.tech] Got a control port string of builder1.x64.stream.opencloudos.tech:40885 Proxy launch args: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:40885 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id Arguments being passed to proxy 0: --version 4.1.1 --iface-ip-env-name MPIR_CVAR_CH3_INTERFACE_HOSTNAME --hostname builder1.x64.stream.opencloudos.tech --global-core-map 0,1,1 --pmi-id-map 0,0 --global-process-count 2 --auto-cleanup 1 --pmi-kvsname kvs_697860_0_1129288450_builder1.x64.stream.opencloudos.tech --pmi-process-mapping (vector,(0,1,2)) --global-inherited-env 93 'NWCHEM_TARGET=LINUX64' 'SHELL=/bin/bash' 'RPM_SOURCE_DIR=/builddir/build/SOURCES' 'HISTCONTROL=ignoredups' 'MPI_LIB=/usr/lib64/mpich/lib' 'OMPI_MCA_rmaps_base_oversubscribe=1' 'PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig' 'HOSTNAME=builder1.x64.stream.opencloudos.tech' 'HISTSIZE=1000' '_ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo=' '__LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1' 'OMPI_MCA_btl=^uct' 'HYDRA_DEBUG=0' 'LMOD_DIR=/usr/share/lmod/lmod/libexec' 'FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir' 'LOGNAME=mockbuild' 'MODULESHOME=/usr/share/lmod/lmod' 'MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man' 'MPI_COMPILER=mpich-x86_64' 'MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich' 'CXX=g++' 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'MPI_INCLUDE=/usr/include/mpich-x86_64' 'RPM_ARCH=x86_64' 'MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich' 'MPI_HOME=/usr/lib64/mpich' '__LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' 'LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'HOME=/builddir' '_ModuleTable_Sz_=2' 'LANG=C' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' 'RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'LMOD_SETTARG_FULL_SUPPORT=no' 'PROMPT_COMMAND=printf "\033]0;\007"' 'RPM_PACKAGE_RELEASE=1.ocs23' 'LMOD_VERSION=8.7.31' 'MPI_SYSCONFIG=/etc/mpich-x86_64' 'RPM_OS=linux' 'NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/' 'USE_LIBXC=True' 'MODULEPATH_ROOT=/usr/share/modulefiles' 'LT_SYS_LIBRARY_PATH=/usr/lib64:' 'MALLOC_PERTURB_=41' 'MPI_SUFFIX=_mpich' 'FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'LMOD_PKG=/usr/share/lmod/lmod' 'TERM=vt100' 'FLEXIBLAS=openblas-openmp' 'LESSOPEN=||/usr/bin/lesspipe.sh %s' 'USER=mockbuild' 'TIMEOUT_OPTS=--preserve-status --kill-after 10 1800' 'NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/' 'MPI_PYTHON_SITEARCH=@py2sitearch@/mpich' 'LOADEDMODULES=mpi/mpich-x86_64' 'LMOD_ROOT=/usr/share/lmod' 'SHLVL=3' 'RPM_BUILD_DIR=/builddir/build/BUILD' 'BASH_ENV=/usr/share/lmod/lmod/init/bash' 'LMOD_sys=Linux' 'MPI_BIN=/usr/lib64/mpich/bin' 'RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' '__LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1' 'NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich' 'RPM_DOC_DIR=/usr/share/doc' '_ModuleTable001_=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' 'LD_LIBRARY_PATH=/usr/lib64/mpich/lib' 'MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec' 'OMPI_MCA_btl_base_warn_component_unused=0' 'RPM_PACKAGE_VERSION=7.2.2' 'MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich' 'MPI_MAN=/usr/share/man/mpich-x86_64' 'which_declare=declare -f' 'MPIRUN_NPOPT=-verbose -np' 'CONFIG_SITE=NONE' 'PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core' 'CC=gcc' '_LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64' 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod' 'MAIL=/var/spool/mail/mockbuild' '__LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1' 'RPM_BUILD_NCPUS=32' 'RPM_PACKAGE_NAME=nwchem' 'NPROC=2' 'RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64' 'OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA' 'BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" }' 'BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ }' 'BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status }' '_=/usr/lib64/mpich/bin/mpiexec' --global-user-env 0 --global-system-env 1 'GFORTRAN_UNBUFFERED_PRECONNECTED=y' --proxy-core-count 1 --exec --exec-appnum 0 --exec-proc-count 2 --exec-local-env 0 --exec-wdir /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir --exec-args 2 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/h2o_bnl/h2o_bnl.nw [mpiexec@builder1.x64.stream.opencloudos.tech] Launch arguments: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:40885 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PID_LIST [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=init pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_maxes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=init pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_appnum [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=appnum rc=0 appnum=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_maxes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_my_kvsname [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=my_kvsname rc=0 kvsname=kvs_697860_0_1129288450_builder1.x64.stream.opencloudos.tech [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_appnum [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=appnum rc=0 appnum=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_697860_0_1129288450_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_my_kvsname [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=my_kvsname rc=0 kvsname=kvs_697860_0_1129288450_builder1.x64.stream.opencloudos.tech [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_697860_0_1129288450_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_gSM3TD found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_697860_0_1129288450_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_697860_0_1129288450_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_gSM3TD found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_697860_0_1129288450_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 value=2F6465762F73686D2F6D706963685F736861725F746D705A6E65507A3100 [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D705A6E65507A3100 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] flushing 1 put command(s) out [proxy:0:0@builder1.x64.stream.opencloudos.tech] forwarding command upstream: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D705A6E65507A3100 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D705A6E65507A3100 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D705A6E65507A3100 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D705A6E65507A3100 [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_697860_0_1129288450_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=2F6465762F73686D2F6D706963685F736861725F746D705A6E65507A3100 found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_697860_0_1129288450_builder1.x64.stream.opencloudos.tech key=P0-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#37025$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#37025$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_697860_0_1129288450_builder1.x64.stream.opencloudos.tech key=P1-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#53285$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53285$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] flushing 2 put command(s) out [proxy:0:0@builder1.x64.stream.opencloudos.tech] forwarding command upstream: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#37025$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53285$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#37025$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53285$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#37025$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53285$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#37025$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53285$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT argument 1 = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/h2o_bnl/h2o_bnl.nw [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================== echo of input deck ============================== echo start h2o_bnl geometry noautoz noautosym units angstrom O 0.000000 0.119088 0.000000 H 0.759830 -0.476352 0.000000 H -0.759830 -0.476350 0.000000 end basis spherical * library cc-pvtz end basis "cd basis" O library "Ahlrichs Coulomb Fitting" H library "Ahlrichs Coulomb Fitting" end [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT set int:acc_std 1d-15 set int:cando_txs f dft xc xbnl07 0.90 lyp 1.00 hfexch 1.00 cam 0.5 cam_alpha 0.0 cam_beta 1.0 end task dft energy property dipole end task dft property tddft nroots 5 notriplet algorithm 3 end task tddft energy ================================================================================ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Northwest Computational Chemistry Package (NWChem) 7.2.2 -------------------------------------------------------- Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352 Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Copyright (c) 1994-2022 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the Educational Community License (ECL) 2.0 A copy of the license is included with this distribution in the LICENSE.TXT file ACKNOWLEDGMENT -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Job information --------------- hostname = builder1.x64.stream.opencloudos.tech [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT program = nwchem_binary_mpich date = Tue Jul 23 10:00:06 2024 compiled = Tue_Jul_23_08:39:25_2024 source = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 nwchem branch = 7.2.2 nwchem revision = N/A ga revision = 5.8.0 use scalapack = T input = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/h2o_bnl/h2o_bnl.nw prefix = h2o_bnl. data base = ./h2o_bnl.db [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT status = startup nproc = 2 time left = -1s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Memory information ------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT heap = 26214400 doubles = 200.0 Mbytes stack = 26214397 doubles = 200.0 Mbytes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT global = 52428800 doubles = 400.0 Mbytes (distinct from heap & stack) total = 104857597 doubles = 800.0 Mbytes verify = yes hardfail = no Directory information --------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0 permanent = . 0 scratch = . [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Scaling coordinates for geometry "geometry" by 1.889725989 (inverse scale = 0.529177249) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Geometry "geometry" -> "" ------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 0.00000000 0.11908780 0.00000000 2 H 1.0000 0.75983000 -0.47635220 0.00000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 3 H 1.0000 -0.75983000 -0.47635020 0.00000000 Atomic Mass ----------- O 15.994910 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT H 1.007825 Effective nuclear repulsion energy (a.u.) 9.1190166238 Nuclear Dipole moment (a.u.) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT XYZ format geometry ------------------- 3 geometry [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT O 0.00000000 0.11908780 0.00000000 H 0.75983000 -0.47635220 0.00000000 H -0.75983000 -0.47635020 0.00000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------------------------------------------------------------------ 2 H | 1 O | 1.82424 | 0.96534 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 3 H | 1 O | 1.82423 | 0.96534 ------------------------------------------------------------------------------ number of included internuclear distances: 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================================================================== [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------------------------------------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 H | 1 O | 3 H | 103.83 ------------------------------------------------------------------------------ number of included internuclear angles: 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================================================================== [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT library name resolved from: environment library file name is: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT * cc-pvtz on all atoms [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT library name resolved from: environment library file name is: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Basis "cd basis" -> "" (cartesian) ----- O (Oxygen) ---------- Exponent Coefficients -------------- --------------------------------------------------------- 1 S 9.57843253E+02 0.562496 1 S 2.81967425E+02 1.491090 1 S 9.01998320E+01 3.865477 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 S 3.11382990E+01 1.000000 3 S 1.14937320E+01 1.000000 4 S 4.48404900E+00 1.000000 5 S 1.82350400E+00 1.000000 6 S 7.60903000E-01 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 7 S 3.20292000E-01 1.000000 8 P 6.14708863E-01 1.000000 9 P 1.47530127E+00 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 10 P 3.69562968E+00 1.000000 11 D 7.65267200E+00 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 12 D 2.21786800E+00 1.000000 13 D 6.82337000E-01 1.000000 14 F 2.19178082E+00 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT H (Hydrogen) ------------ Exponent Coefficients [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------- --------------------------------------------------------- 1 S 9.30813000E+00 0.034466 1 S 2.30671800E+00 0.122534 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 S 7.52012000E-01 1.000000 3 S 2.73978000E-01 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 P 2.03270400E+00 1.000000 5 P 7.90252000E-01 1.000000 6 D 2.01954800E+00 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Summary of "cd basis" -> "" (cartesian) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT O Ahlrichs Coulomb Fitting 14 44 7s3p3d1f [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT H Ahlrichs Coulomb Fitting 6 15 3s2p1d [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem DFT Module ----------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Basis "ao basis" -> "ao basis" (spherical) ----- O (Oxygen) ---------- Exponent Coefficients -------------- --------------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 S 1.53300000E+04 0.000508 1 S 2.29900000E+03 0.003929 1 S 5.22400000E+02 0.020243 1 S 1.47300000E+02 0.079181 1 S 4.75500000E+01 0.230687 1 S 1.67600000E+01 0.433118 1 S 6.20700000E+00 0.350260 1 S 6.88200000E-01 -0.008154 2 S 1.53300000E+04 -0.000115 2 S 2.29900000E+03 -0.000895 2 S 5.22400000E+02 -0.004636 2 S 1.47300000E+02 -0.018724 2 S 4.75500000E+01 -0.058463 2 S 1.67600000E+01 -0.136463 2 S 6.20700000E+00 -0.175740 2 S 6.88200000E-01 0.603418 3 S 1.75200000E+00 1.000000 4 S 2.38400000E-01 1.000000 5 P 3.44600000E+01 0.015928 5 P 7.74900000E+00 0.099740 5 P 2.28000000E+00 0.310492 6 P 7.15600000E-01 1.000000 7 P 2.14000000E-01 1.000000 8 D 2.31400000E+00 1.000000 9 D 6.45000000E-01 1.000000 10 F 1.42800000E+00 1.000000 H (Hydrogen) ------------ Exponent Coefficients -------------- --------------------------------------------------------- 1 S 3.38700000E+01 0.006068 1 S 5.09500000E+00 0.045308 1 S 1.15900000E+00 0.202822 2 S 3.25800000E-01 1.000000 3 S 1.02700000E-01 1.000000 4 P 1.40700000E+00 1.000000 5 P 3.88000000E-01 1.000000 6 D 1.05700000E+00 1.000000 Summary of "ao basis" -> "ao basis" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O cc-pvtz 10 30 4s3p2d1f H cc-pvtz 6 14 3s2p1d [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: setting std/high accuracies to 1.0D-15 1.0D-30 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O cc-pvtz 10 30 4s3p2d1f [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT H cc-pvtz 6 14 3s2p1d [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: setting std/high accuracies to 1.0D-15 1.0D-30 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Caching 1-el integrals [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT General Information ------------------- SCF calculation type: DFT Wavefunction type: closed shell. No. of atoms : 3 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT No. of electrons : 10 Alpha electrons : 5 Beta electrons : 5 Charge : 0 Spin multiplicity: 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Use of symmetry is: off; symmetry adaption is: off Maximum number of iterations: 50 AO basis - number of functions: 58 number of shells: 22 A Charge density fitting basis will be used. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT CD basis - number of functions: 74 number of shells: 26 Convergence on energy requested: 1.00D-06 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT XC Information -------------- Hartree-Fock (Exact) Exchange 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT LC-BNL 2007 Exchange Functional 0.900 local Lee-Yang-Parr Correlation Functional 1.000 Range-Separation Parameters [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT --------------------------- Alpha : 0.00 Beta : 1.00 Gamma : 0.50 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Short-Range HF : F Grid Information ---------------- Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid used for XC integration: medium Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- O 0.60 49 6.0 434 H 0.35 45 7.0 434 Grid pruning is: on [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Number of quadrature shells: 139 Spatial weights used: Erf1 Convergence Information [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information ------------------------------- Density screening/tol_rho: 1.00D-10 AO Gaussian exp screening on grid/accAOfunc: 14 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Superposition of Atomic Density Guess ------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Sum of atomic energies: -75.78028790 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Non-variational initial energy ------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Total energy = -75.930196 1-e energy = -121.638497 2-e energy = 36.589285 HOMO = -0.475368 LUMO = 0.064403 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT WARNING: movecs_in_org=atomic not equal to movecs_in=./h2o_bnl.movecs Time after variat. SCF: 1.1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 3 Center 2 Electron Integral Information ---------------------------------------- Maximum number of 3-center 2e- integrals is: 248936. This is reduced with Schwarz screening to: 218300. Incore requires a per proc buffer size of: 95609. Minimum dble words available (all nodes) is: 52427212 This is reduced (for later use) to: 52162003 proc 0 Suggested buffer size is: 95609 Max Suggested buffer size is: 95609 no. integral batches is: 1000 0.096 MW buffer allocated for incore 3-center 2e- integral storage on stack. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 1.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid_pts file = ./h2o_bnl.gridpts.0 Record size in doubles = 12289 No. of grid_pts per rec = 3070 Max. records in memory = 12 Max. recs in file = 506625431 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Memory utilization after 1st SCF pass: Heap Space remaining (MW): 0.00 120 Stack Space remaining (MW): 26.12 26117308 convergence iter energy DeltaE RMS-Dens Diis-err time ---------------- ----- ----------------- --------- --------- --------- ------ d= 0,ls=0.0,diis 1 -75.1587502929 -8.43D+01 8.40D-03 1.37D+00 6.5 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 2 -75.1816571219 -2.29D-02 3.83D-03 5.03D-01 11.8 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 3 -75.2148811734 -3.32D-02 9.44D-04 5.15D-02 16.6 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 4 -75.2185416918 -3.66D-03 8.04D-05 4.79D-05 21.4 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 5 -75.2185499175 -8.23D-06 4.79D-05 3.72D-06 25.8 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Resetting Diis d= 0,ls=0.0,diis 6 -75.2185513247 -1.41D-06 1.22D-05 1.11D-07 31.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 7 -75.2185513848 -6.00D-08 1.63D-06 5.21D-09 36.6 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Total DFT energy = -75.218551384775 One electron energy = -122.612309391749 Coulomb energy = 46.290238727068 Exchange-Corr. energy = -8.015497343931 Nuclear repulsion energy = 9.119016623837 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Numeric. integr. density = 10.000000271216 Total iterative time = 35.5s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT DFT Final Molecular Orbital Analysis ------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 1 Occ=2.000000D+00 E=-1.866224D+01 MO Center= -2.5D-10, 1.2D-01, 1.1D-14, r^2= 1.5D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1 0.949623 1 O s 3 0.073374 1 O s 2 -0.027987 1 O s Vector 2 Occ=2.000000D+00 E=-1.144979D+00 MO Center= -5.9D-07, -8.8D-02, 8.9D-12, r^2= 5.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.468702 1 O s 4 0.290601 1 O s 3 0.125867 1 O s 31 0.092043 2 H s 45 0.092043 3 H s 9 -0.082429 1 O py 32 0.079082 2 H s 46 0.079082 3 H s 6 -0.065332 1 O py Vector 3 Occ=2.000000D+00 E=-6.517672D-01 MO Center= 5.0D-07, -9.5D-02, 1.7D-12, r^2= 7.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 0.322313 1 O px 5 0.299153 1 O px 32 0.214031 2 H s 46 -0.214031 3 H s 11 0.163776 1 O px 31 0.140067 2 H s 45 -0.140067 3 H s 33 0.087084 2 H s 47 -0.087084 3 H s Vector 4 Occ=2.000000D+00 E=-5.128434D-01 MO Center= 2.2D-07, 2.0D-01, -1.6D-11, r^2= 7.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 0.354077 1 O py 6 0.322514 1 O py 12 0.310240 1 O py 4 0.283115 1 O s 2 0.185067 1 O s 32 -0.117455 2 H s 46 -0.117455 3 H s 31 -0.080858 2 H s 45 -0.080858 3 H s 3 0.053649 1 O s Vector 5 Occ=2.000000D+00 E=-4.401798D-01 MO Center= -5.4D-08, 8.1D-02, 5.4D-12, r^2= 6.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.410772 1 O pz 13 0.404255 1 O pz 7 0.365546 1 O pz 39 0.034459 2 H pz 53 0.034459 3 H pz Vector 6 Occ=0.000000D+00 E= 1.105902D-01 MO Center= 2.4D-06, -6.4D-01, -8.3D-13, r^2= 3.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.447222 1 O s 33 -0.891469 2 H s 47 -0.891466 3 H s 12 -0.427182 1 O py 32 -0.259702 2 H s 46 -0.259703 3 H s 9 -0.196092 1 O py 2 0.126944 1 O s 37 0.123583 2 H px 51 -0.123583 3 H px Vector 7 Occ=0.000000D+00 E= 1.754000D-01 MO Center= -3.6D-06, -6.8D-01, -3.2D-14, r^2= 4.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 33 1.689897 2 H s 47 -1.689900 3 H s 11 -0.801654 1 O px 8 -0.217138 1 O px 5 -0.166741 1 O px 32 0.146916 2 H s 46 -0.146918 3 H s 37 -0.115163 2 H px 51 -0.115164 3 H px 38 0.092107 2 H py Vector 8 Occ=0.000000D+00 E= 4.875551D-01 MO Center= 8.1D-06, -8.6D-02, -1.5D-12, r^2= 2.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.451183 2 H s 46 -1.451176 3 H s 11 -1.061953 1 O px 33 -0.717247 2 H s 47 0.717237 3 H s 8 -0.264800 1 O px 5 -0.124597 1 O px 31 0.113095 2 H s 45 -0.113094 3 H s 19 0.108754 1 O d -2 Vector 9 Occ=0.000000D+00 E= 5.439181D-01 MO Center= -5.3D-06, -5.4D-01, -7.4D-11, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.152830 2 H s 46 1.152851 3 H s 33 -0.651240 2 H s 47 -0.651244 3 H s 12 0.343722 1 O py 37 0.285454 2 H px 51 -0.285452 3 H px 2 -0.197948 1 O s 4 -0.190794 1 O s 9 0.176225 1 O py Vector 10 Occ=0.000000D+00 E= 6.127505D-01 MO Center= -2.5D-07, 3.4D-01, 6.4D-12, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 4.363520 1 O s 12 -2.579113 1 O py 32 -2.270201 2 H s 46 -2.270207 3 H s 37 0.818148 2 H px 51 -0.818152 3 H px 38 -0.623856 2 H py 52 -0.623856 3 H py 33 -0.395413 2 H s 47 -0.395417 3 H s Vector 11 Occ=0.000000D+00 E= 7.194720D-01 MO Center= 1.9D-06, 7.0D-02, 1.0D-10, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 1.108921 1 O pz 10 -0.757334 1 O pz 7 -0.291592 1 O pz 39 0.048333 2 H pz 53 0.048329 3 H pz 20 -0.030717 1 O d -1 Vector 12 Occ=0.000000D+00 E= 7.367190D-01 MO Center= -1.6D-06, 1.1D-01, 1.1D-13, r^2= 3.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 2.906547 1 O px 32 -1.567133 2 H s 46 1.567141 3 H s 33 -1.432434 2 H s 47 1.432434 3 H s 37 0.840207 2 H px 51 0.840213 3 H px 38 -0.672081 2 H py 52 0.672075 3 H py 19 -0.435589 1 O d -2 Vector 13 Occ=0.000000D+00 E= 7.388091D-01 MO Center= -1.2D-07, -1.5D-01, -2.9D-11, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.481614 1 O py 32 1.109741 2 H s 46 1.109733 3 H s 4 -1.011766 1 O s 37 -0.613965 2 H px 51 0.613958 3 H px 38 -0.609467 2 H py 52 -0.609474 3 H py 33 -0.218710 2 H s 47 -0.218722 3 H s Vector 14 Occ=0.000000D+00 E= 8.016794D-01 MO Center= -3.9D-07, -4.6D-01, -6.2D-12, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 39 0.835715 2 H pz 53 -0.835713 3 H pz 36 -0.054701 2 H pz 50 0.054701 3 H pz 17 -0.026076 1 O d 1 Vector 15 Occ=0.000000D+00 E= 8.933698D-01 MO Center= -1.4D-06, -2.0D-01, 1.3D-10, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 1.162417 1 O pz 39 -0.987666 2 H pz 53 -0.987669 3 H pz 36 0.066322 2 H pz 50 0.066322 3 H pz 43 -0.040927 2 H d 1 57 0.040927 3 H d 1 Vector 16 Occ=0.000000D+00 E= 1.065410D+00 MO Center= 3.2D-07, 1.7D-01, -5.9D-11, r^2= 1.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 6.878119 1 O s 32 -2.822751 2 H s 46 -2.822769 3 H s 12 -1.697233 1 O py 37 1.123091 2 H px 51 -1.123095 3 H px 9 -0.998557 1 O py 2 -0.887167 1 O s 38 -0.725499 2 H py 52 -0.725505 3 H py Vector 17 Occ=0.000000D+00 E= 1.132182D+00 MO Center= -1.4D-08, -3.6D-01, -5.3D-13, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 1.685220 1 O px 38 -1.068943 2 H py 52 1.068942 3 H py 32 -0.938546 2 H s 46 0.938537 3 H s 37 -0.579020 2 H px 51 -0.579023 3 H px 8 0.179305 1 O px 33 -0.101092 2 H s 47 0.101090 3 H s Vector 18 Occ=0.000000D+00 E= 1.421512D+00 MO Center= 4.2D-05, -5.0D-01, -6.6D-13, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 37 -1.485796 2 H px 51 -1.485741 3 H px 32 1.388231 2 H s 46 -1.388180 3 H s 8 -1.159340 1 O px 38 1.063673 2 H py 52 -1.063625 3 H py 11 -0.931096 1 O px 33 0.830143 2 H s 47 -0.830126 3 H s Vector 19 Occ=0.000000D+00 E= 1.452609D+00 MO Center= -4.2D-05, -5.2D-01, 1.4D-12, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 2.158087 1 O s 37 1.088500 2 H px 51 -1.088577 3 H px 32 -1.000521 2 H s 46 -1.000592 3 H s 2 0.899529 1 O s 38 -0.862646 2 H py 52 -0.862699 3 H py 9 -0.614229 1 O py 12 -0.373695 1 O py Vector 20 Occ=0.000000D+00 E= 1.921334D+00 MO Center= 2.3D-06, 2.2D-02, 2.3D-11, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 1.162649 1 O d -1 13 -0.711596 1 O pz 39 0.674827 2 H pz 53 0.674811 3 H pz 41 0.069809 2 H d -1 55 0.069810 3 H d -1 10 -0.043002 1 O pz 36 -0.038410 2 H pz 50 -0.038408 3 H pz Vector 21 Occ=0.000000D+00 E= 1.942266D+00 MO Center= -2.1D-06, 1.7D-02, -1.5D-12, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 22 1.224757 1 O d 1 39 0.608339 2 H pz 53 -0.608360 3 H pz 36 -0.053795 2 H pz 50 0.053796 3 H pz 43 0.053497 2 H d 1 57 0.053497 3 H d 1 Vector 22 Occ=0.000000D+00 E= 1.959815D+00 MO Center= -6.4D-07, 1.1D-01, 5.1D-12, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 4.428003 2 H s 46 -4.428042 3 H s 11 -2.784194 1 O px 8 -1.756407 1 O px 19 1.730319 1 O d -2 37 -1.732664 2 H px 51 -1.732676 3 H px 38 1.250211 2 H py 52 -1.250218 3 H py 31 -0.416180 2 H s Vector 23 Occ=0.000000D+00 E= 2.045206D+00 MO Center= -6.6D-08, -8.1D-02, -9.4D-12, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 2.378975 1 O s 32 -1.648355 2 H s 46 -1.648335 3 H s 23 1.329333 1 O d 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 38 -0.996567 2 H py 52 -0.996563 3 H py 9 -0.390416 1 O py 2 0.388405 1 O s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 12 -0.273668 1 O py 21 -0.273731 1 O d 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Vector 24 Occ=0.000000D+00 E= 2.113130D+00 Sending upstream hdr.cmd = CMD_STDOUT MO Center= -9.2D-08, 2.1D-01, -6.8D-12, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 6.807830 1 O s 32 -4.169936 2 H s 46 -4.169925 3 H s 12 -2.747856 1 O py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 37 1.521068 2 H px 51 -1.521063 3 H px 21 -1.450865 1 O d 0 9 -0.884704 1 O py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 38 -0.742531 2 H py 52 -0.742523 3 H py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 25 Occ=0.000000D+00 E= 2.427272D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.7D-06, -3.4D-01, -5.8D-11, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 32 1.524235 2 H s 46 1.524229 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 31 -0.950663 2 H s 45 -0.950660 3 H s 4 -0.654277 1 O s 2 -0.419847 1 O s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 9 0.383128 1 O py 23 0.380230 1 O d 2 12 0.377105 1 O py 33 -0.352638 2 H s Vector 26 Occ=0.000000D+00 E= 2.785585D+00 MO Center= -9.9D-08, -1.8D-01, 1.8D-12, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 31 0.872489 2 H s 45 -0.872491 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 32 -0.738123 2 H s 46 0.738125 3 H s 19 0.667548 1 O d -2 33 0.580434 2 H s 47 -0.580434 3 H s 8 0.515357 1 O px 11 -0.507045 1 O px 5 -0.335183 1 O px Vector 27 Occ=0.000000D+00 E= 3.205455D+00 MO Center= 9.4D-07, -3.5D-01, -1.4D-12, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 41 0.525597 2 H d -1 55 0.525596 3 H d -1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 43 -0.352055 2 H d 1 57 0.352054 3 H d 1 20 -0.313843 1 O d -1 36 0.219554 2 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 50 0.219554 3 H pz 39 -0.211718 2 H pz 53 -0.211719 3 H pz 7 -0.140493 1 O pz Vector 28 Occ=0.000000D+00 E= 3.343859D+00 MO Center= 1.3D-07, -3.7D-01, -1.0D-11, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 1.080747 1 O s 32 -0.884886 2 H s 46 -0.884893 3 H s 42 -0.581441 2 H d 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 56 -0.581441 3 H d 0 12 -0.361536 1 O py 40 0.322019 2 H d -2 54 -0.322021 3 H d -2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 23 0.319579 1 O d 2 31 0.306175 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 29 Occ=0.000000D+00 E= 3.430372D+00 MO Center= 1.3D-06, -5.1D-01, -1.6D-12, r^2= 9.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 36 0.479400 2 H pz 50 -0.479398 3 H pz 41 -0.401098 2 H d -1 55 0.401101 3 H d -1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 43 0.398526 2 H d 1 57 0.398523 3 H d 1 39 -0.289858 2 H pz 53 0.289857 3 H pz 25 -0.125270 1 O f -2 17 -0.053528 1 O d 1 Vector 30 Occ=0.000000D+00 E= 3.509452D+00 MO Center= 9.7D-07, -4.7D-01, -7.3D-13, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 40 0.422395 2 H d -2 54 0.422393 3 H d -2 42 -0.393408 2 H d 0 56 0.393407 3 H d 0 19 -0.347562 1 O d -2 44 -0.343719 2 H d 2 58 0.343721 3 H d 2 37 0.332355 2 H px 51 0.332354 3 H px 31 -0.318863 2 H s Vector 31 Occ=0.000000D+00 E= 3.535525D+00 MO Center= -1.9D-06, -7.0D-02, -6.8D-12, r^2= 7.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 0.909260 1 O pz 10 -0.828741 1 O pz 36 -0.422794 2 H pz 50 -0.422797 3 H pz 13 0.372193 1 O pz 20 -0.360479 1 O d -1 43 -0.312402 2 H d 1 57 0.312403 3 H d 1 39 0.137568 2 H pz 53 0.137570 3 H pz Vector 32 Occ=0.000000D+00 E= 3.687510D+00 MO Center= -4.0D-06, -3.4D-01, 4.0D-12, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 0.826006 1 O px 32 -0.666676 2 H s 46 0.666682 3 H s 38 -0.641615 2 H py 52 0.641625 3 H py 35 0.591970 2 H py 49 -0.591977 3 H py 34 0.536389 2 H px 48 0.536391 3 H px 19 -0.398502 1 O d -2 Vector 33 Occ=0.000000D+00 E= 3.744612D+00 MO Center= 5.4D-06, -5.4D-01, 9.3D-14, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 38 -0.623014 2 H py 52 -0.623008 3 H py 35 0.613505 2 H py 49 0.613498 3 H py 44 0.448216 2 H d 2 58 0.448218 3 H d 2 34 0.354937 2 H px 48 -0.354929 3 H px 23 0.330863 1 O d 2 12 0.323221 1 O py Vector 34 Occ=0.000000D+00 E= 3.806387D+00 MO Center= -2.5D-06, -3.7D-01, -5.6D-12, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 36 0.698314 2 H pz 50 -0.698316 3 H pz 39 -0.448345 2 H pz 53 0.448349 3 H pz 43 -0.396392 2 H d 1 57 -0.396395 3 H d 1 41 0.265340 2 H d -1 55 -0.265338 3 H d -1 22 0.196141 1 O d 1 25 -0.179398 1 O f -2 Vector 35 Occ=0.000000D+00 E= 3.850459D+00 MO Center= 3.2D-06, -4.4D-01, -8.2D-12, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 39 -0.734166 2 H pz 53 -0.734164 3 H pz 36 0.696681 2 H pz 50 0.696676 3 H pz 13 0.691704 1 O pz 7 0.407790 1 O pz 41 -0.371142 2 H d -1 55 -0.371142 3 H d -1 43 -0.328360 2 H d 1 57 0.328359 3 H d 1 Vector 36 Occ=0.000000D+00 E= 3.866452D+00 MO Center= 8.3D-06, -3.5D-01, 7.0D-12, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.608772 1 O px 32 -1.468791 2 H s 46 1.468766 3 H s 37 1.119570 2 H px 51 1.119554 3 H px 38 -0.994076 2 H py 52 0.994061 3 H py 5 -0.698480 1 O px 11 0.561112 1 O px 35 0.425542 2 H py Vector 37 Occ=0.000000D+00 E= 3.937705D+00 MO Center= -8.7D-06, -1.7D-01, -2.7D-11, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 3.867846 1 O s 32 -2.035627 2 H s 46 -2.035666 3 H s 9 -1.595237 1 O py 37 1.211848 2 H px 51 -1.211876 3 H px 38 -0.946728 2 H py 52 -0.946747 3 H py 6 0.899691 1 O py 12 -0.665362 1 O py Vector 38 Occ=0.000000D+00 E= 4.143342D+00 MO Center= 1.1D-06, -3.8D-01, 5.1D-14, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 22 1.021321 1 O d 1 41 0.700731 2 H d -1 55 -0.700731 3 H d -1 43 0.594087 2 H d 1 57 0.594088 3 H d 1 39 0.529192 2 H pz 53 -0.529192 3 H pz 17 -0.100596 1 O d 1 25 -0.064501 1 O f -2 36 -0.036328 2 H pz Vector 39 Occ=0.000000D+00 E= 4.179437D+00 MO Center= -8.2D-07, -1.6D-01, 1.6D-11, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 23 1.007479 1 O d 2 44 0.634047 2 H d 2 58 0.634049 3 H d 2 4 0.621301 1 O s 35 -0.491631 2 H py 49 -0.491633 3 H py 21 -0.468079 1 O d 0 2 -0.385347 1 O s 37 -0.376845 2 H px 51 0.376844 3 H px Vector 40 Occ=0.000000D+00 E= 4.390172D+00 MO Center= 1.0D-06, -4.3D-01, 3.3D-13, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 44 0.578115 2 H d 2 58 -0.578114 3 H d 2 37 -0.531818 2 H px 51 -0.531824 3 H px 40 0.519473 2 H d -2 54 0.519471 3 H d -2 5 0.505056 1 O px 38 -0.482439 2 H py 52 0.482435 3 H py 11 0.397616 1 O px Vector 41 Occ=0.000000D+00 E= 4.438995D+00 MO Center= -2.0D-06, -1.7D-01, -3.2D-12, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 1.385391 1 O pz 7 -0.673467 1 O pz 20 -0.673083 1 O d -1 43 -0.618077 2 H d 1 57 0.618081 3 H d 1 41 -0.360703 2 H d -1 55 -0.360706 3 H d -1 39 -0.319161 2 H pz 53 -0.319164 3 H pz 27 0.290108 1 O f 0 Vector 42 Occ=0.000000D+00 E= 4.661038D+00 MO Center= 3.7D-06, -3.4D-01, -5.6D-13, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 3.125605 2 H s 46 -3.125583 3 H s 8 -2.049141 1 O px 37 -1.725787 2 H px 51 -1.725780 3 H px 11 -1.374996 1 O px 19 1.168487 1 O d -2 38 0.918198 2 H py 52 -0.918183 3 H py 42 -0.740607 2 H d 0 Vector 43 Occ=0.000000D+00 E= 4.897351D+00 MO Center= -5.7D-06, -2.8D-01, -2.3D-13, r^2= 8.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 2.925252 1 O s 32 -2.031329 2 H s 46 -2.031375 3 H s 2 1.023739 1 O s 23 0.830528 1 O d 2 38 -0.787489 2 H py 52 -0.787503 3 H py 37 0.775618 2 H px 51 -0.775639 3 H px 40 0.752565 2 H d -2 Vector 44 Occ=0.000000D+00 E= 4.991649D+00 MO Center= -1.1D-07, -3.8D-02, 1.0D-11, r^2= 8.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 3.879719 1 O s 32 -2.376937 2 H s 46 -2.376942 3 H s 9 -2.268760 1 O py 12 -1.068098 1 O py 37 0.955245 2 H px 51 -0.955243 3 H px 21 -0.674668 1 O d 0 34 0.635297 2 H px 48 -0.635303 3 H px Vector 45 Occ=0.000000D+00 E= 5.246704D+00 MO Center= 4.8D-07, -1.0D-02, -6.8D-13, r^2= 7.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 2.574437 1 O px 32 -2.199482 2 H s 46 2.199473 3 H s 19 -1.246876 1 O d -2 11 1.008265 1 O px 38 -0.807578 2 H py 52 0.807574 3 H py 37 0.760070 2 H px 51 0.760067 3 H px 5 -0.698079 1 O px Vector 46 Occ=0.000000D+00 E= 5.760508D+00 MO Center= -2.6D-07, 1.7D-02, -6.2D-14, r^2= 5.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 29 0.996688 1 O f 2 43 0.263436 2 H d 1 57 -0.263436 3 H d 1 27 0.247386 1 O f 0 41 -0.213772 2 H d -1 55 -0.213774 3 H d -1 15 0.164702 1 O d -1 10 -0.120957 1 O pz 20 0.102085 1 O d -1 36 0.058804 2 H pz Vector 47 Occ=0.000000D+00 E= 6.260177D+00 MO Center= -1.0D-07, -1.4D-01, -3.4D-12, r^2= 6.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 26 0.879071 1 O f -1 9 -0.772445 1 O py 23 -0.743554 1 O d 2 2 -0.646547 1 O s 32 0.596192 2 H s 46 0.596206 3 H s 34 0.545213 2 H px 48 -0.545211 3 H px 4 -0.498570 1 O s 38 0.491088 2 H py Vector 48 Occ=0.000000D+00 E= 6.560499D+00 MO Center= 3.7D-05, 4.7D-02, 1.6D-12, r^2= 4.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 15 1.005572 1 O d -1 10 -0.505030 1 O pz 27 0.471759 1 O f 0 29 -0.302218 1 O f 2 41 0.295201 2 H d -1 55 0.295174 3 H d -1 20 -0.281683 1 O d -1 36 0.240633 2 H pz 50 0.240596 3 H pz 43 0.222023 2 H d 1 Vector 49 Occ=0.000000D+00 E= 6.568466D+00 MO Center= -3.3D-05, 6.2D-02, 2.6D-13, r^2= 3.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.155729 1 O d 1 22 -0.520763 1 O d 1 25 0.214634 1 O f -2 43 0.176495 2 H d 1 57 0.176558 3 H d 1 39 -0.115861 2 H pz 53 0.115878 3 H pz 36 0.104435 2 H pz 50 -0.104506 3 H pz 41 0.072989 2 H d -1 Vector 50 Occ=0.000000D+00 E= 6.653015D+00 MO Center= 7.1D-06, -1.6D-02, -1.4D-11, r^2= 4.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 18 0.986967 1 O d 2 2 -0.701956 1 O s 24 -0.576745 1 O f -3 1 -0.534647 1 O s 3 0.404838 1 O s 23 -0.361762 1 O d 2 31 -0.326703 2 H s 45 -0.326678 3 H s 38 0.312690 2 H py 52 0.312709 3 H py Vector 51 Occ=0.000000D+00 E= 6.691292D+00 MO Center= -1.9D-06, 8.0D-02, 2.3D-11, r^2= 6.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 1.071096 1 O d -1 27 1.021514 1 O f 0 10 -0.915774 1 O pz 15 -0.615247 1 O d -1 43 0.533442 2 H d 1 57 -0.533443 3 H d 1 39 0.424617 2 H pz 53 0.424612 3 H pz 36 0.388923 2 H pz 50 0.388924 3 H pz Vector 52 Occ=0.000000D+00 E= 6.720490D+00 MO Center= -7.2D-06, 2.6D-02, -7.2D-13, r^2= 7.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 8 1.693937 1 O px 19 -0.836013 1 O d -2 28 0.798249 1 O f 1 32 -0.765825 2 H s 46 0.765818 3 H s 30 -0.746628 1 O f 3 11 0.615562 1 O px 5 -0.604906 1 O px 31 -0.562871 2 H s 45 0.562886 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Vector 53 Occ=0.000000D+00 E= 6.827490D+00 MO Center= -4.6D-07, 1.3D-01, 1.1D-12, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 4 1.271306 1 O s 23 -1.012389 1 O d 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 32 -0.935296 2 H s 46 -0.935293 3 H s 16 0.891579 1 O d 0 12 -0.767415 1 O py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 9 -0.652772 1 O py 21 -0.638337 1 O d 0 24 0.606050 1 O f -3 37 0.492258 2 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 54 Occ=0.000000D+00 E= 6.929808D+00 MO Center= -1.9D-06, 4.3D-02, 4.1D-13, r^2= 6.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 1.266906 1 O f -2 22 1.131773 1 O d 1 43 0.526198 2 H d 1 57 0.526206 3 H d 1 36 0.489289 2 H pz 50 -0.489298 3 H pz 41 0.450070 2 H d -1 55 -0.450076 3 H d -1 39 0.345707 2 H pz 53 -0.345712 3 H pz Vector 55 Occ=0.000000D+00 E= 7.110942D+00 MO Center= -2.3D-10, 1.0D-01, -1.8D-12, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.123337 1 O s 23 0.998743 1 O d 2 24 -0.862196 1 O f -3 21 -0.746169 1 O d 0 16 0.735273 1 O d 0 2 -0.647725 1 O s 18 -0.528536 1 O d 2 31 -0.506390 2 H s 45 -0.506391 3 H s 44 0.349340 2 H d 2 Vector 56 Occ=0.000000D+00 E= 7.449395D+00 MO Center= -4.7D-07, 1.0D-01, 2.5D-14, r^2= 6.5D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.660947 1 O d -2 30 -1.068120 1 O f 3 8 -0.940442 1 O px 31 0.847727 2 H s 45 -0.847733 3 H s 11 -0.682815 1 O px 32 0.684309 2 H s 46 -0.684303 3 H s 14 -0.675365 1 O d -2 34 -0.599150 2 H px Vector 57 Occ=0.000000D+00 E= 7.899209D+00 MO Center= 2.9D-07, -1.3D-01, -4.8D-13, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 2.751825 1 O px 32 -2.173431 2 H s 46 2.173429 3 H s 14 -1.056486 1 O d -2 19 -0.918028 1 O d -2 37 0.920366 2 H px 51 0.920366 3 H px 34 0.882955 2 H px 48 0.882958 3 H px 38 -0.619940 2 H py Vector 58 Occ=0.000000D+00 E= 1.226570D+01 MO Center= -7.7D-07, -1.4D-01, -9.5D-13, r^2= 8.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 5.795334 1 O s 1 3.728747 1 O s 4 3.536258 1 O s 32 -3.542888 2 H s 46 -3.542910 3 H s 9 -2.660931 1 O py 3 -2.635354 1 O s 37 1.373910 2 H px 51 -1.373920 3 H px 38 -1.169677 2 H py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT center of mass -------------- x = 0.00000000 y = 0.09911481 z = 0.00000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) ------------------ 2.266428026031 0.000005469268 0.000000000000 0.000005469268 4.155714155453 0.000000000000 0.000000000000 0.000000000000 6.422142181484 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Multipole analysis of the density --------------------------------- L x y z total alpha beta nuclear - - - - ----- ----- ---- ------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 -5.000000 -5.000000 10.000000 1 1 0 0 -0.000000 -0.000000 -0.000000 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 0 1 0 -0.803722 -0.401861 -0.401861 0.000000 1 0 0 1 -0.000000 -0.000000 -0.000000 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 2 0 0 -3.369727 -3.746588 -3.746588 4.123448 2 1 1 0 -0.000002 0.000002 0.000002 -0.000005 2 1 0 1 -0.000000 -0.000000 -0.000000 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 0 2 0 -4.739000 -3.382390 -3.382390 2.025780 2 0 1 1 0.000000 0.000000 0.000000 0.000000 2 0 0 2 -5.663830 -2.831915 -2.831915 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Task times cpu: 627.9s wall: 36.7s NWChem Input Module ------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem Property Module ---------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT itol2e modified to match energy convergence criterion. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem DFT Module ----------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: setting std/high accuracies to 1.0D-15 1.0D-30 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Summary of "ao basis" -> "ao basis" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT O cc-pvtz 10 30 4s3p2d1f H cc-pvtz 6 14 3s2p1d [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: setting std/high accuracies to 1.0D-15 1.0D-30 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Caching 1-el integrals [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT itol2e modified to match energy convergence criterion. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT General Information ------------------- SCF calculation type: DFT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Wavefunction type: closed shell. No. of atoms : 3 No. of electrons : 10 Alpha electrons : 5 Beta electrons : 5 Charge : 0 Spin multiplicity: 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Use of symmetry is: off; symmetry adaption is: off Maximum number of iterations: 50 AO basis - number of functions: 58 number of shells: 22 A Charge density fitting basis will be used. Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] CD basis - number of functions: 74 number of shells: 26 Convergence on energy requested: 1.00D-07 Convergence on density requested: 1.00D-05 Sending upstream hdr.cmd = CMD_STDOUT Convergence on gradient requested: 5.00D-04 XC Information -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Hartree-Fock (Exact) Exchange 1.000 LC-BNL 2007 Exchange Functional 0.900 local Lee-Yang-Parr Correlation Functional 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Range-Separation Parameters --------------------------- Alpha : 0.00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Beta : 1.00 Gamma : 0.50 Short-Range HF : F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid Information ---------------- Grid used for XC integration: fine Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT O 0.60 70 6.0 590 H 0.35 60 7.0 590 Grid pruning is: on Number of quadrature shells: 190 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Spatial weights used: Erf1 Convergence Information ----------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT using up to (NFOCK): 10 stored Fock matrices. Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information ------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Density screening/tol_rho: 1.00D-11 AO Gaussian exp screening on grid/accAOfunc: 16 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Loading old vectors from job with title : [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time after variat. SCF: 37.9 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 3 Center 2 Electron Integral Information ---------------------------------------- Maximum number of 3-center 2e- integrals is: 248936. This is reduced with Schwarz screening to: 218300. Incore requires a per proc buffer size of: 95609. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Minimum dble words available (all nodes) is: 18872764 This is reduced (for later use) to: 18411003 proc 0 Suggested buffer size is: 95609 Max Suggested buffer size is: 95609 no. integral batches is: 1000 0.096 MW buffer allocated for incore 3-center 2e- integral storage on stack. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 38.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid_pts file = ./h2o_bnl.gridpts.0 Record size in doubles = 12289 No. of grid_pts per rec = 3070 Max. records in memory = 22 Max. recs in file = 506625431 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Memory utilization after 1st SCF pass: Heap Space remaining (MW): 0.00 120 Stack Space remaining (MW): 26.12 26117308 convergence iter energy DeltaE RMS-Dens Diis-err time ---------------- ----- ----------------- --------- --------- --------- ------ Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 1 -75.2185510871 -8.43D+01 6.75D-07 2.34D-09 46.4 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 2 -75.2185510873 -1.87D-10 2.09D-07 2.22D-09 55.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Total DFT energy = -75.218551087300 One electron energy = -122.612317128852 Coulomb energy = 46.290246338087 Exchange-Corr. energy = -8.015496920372 Nuclear repulsion energy = 9.119016623837 Numeric. integr. density = 10.000000185486 Total iterative time = 17.2s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT DFT Final Molecular Orbital Analysis ------------------------------------ Vector 1 Occ=2.000000D+00 E=-1.866226D+01 MO Center= -2.5D-10, 1.2D-01, 5.3D-15, r^2= 1.5D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 0.949623 1 O s 3 0.073374 1 O s 2 -0.027986 1 O s Vector 2 Occ=2.000000D+00 E=-1.144985D+00 MO Center= -5.9D-07, -8.8D-02, 7.7D-13, r^2= 5.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.468703 1 O s 4 0.290600 1 O s 3 0.125868 1 O s 31 0.092042 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 45 0.092043 3 H s 9 -0.082429 1 O py 32 0.079081 2 H s 46 0.079082 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 6 -0.065332 1 O py Vector 3 Occ=2.000000D+00 E=-6.517719D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 5.0D-07, -9.5D-02, 5.5D-13, r^2= 7.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 8 0.322314 1 O px 5 0.299154 1 O px 32 0.214029 2 H s 46 -0.214029 3 H s 11 0.163777 1 O px 31 0.140067 2 H s 45 -0.140067 3 H s 33 0.087085 2 H s 47 -0.087085 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 4 Occ=2.000000D+00 E=-5.128501D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 2.2D-07, 2.0D-01, 7.1D-13, r^2= 7.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 9 0.354081 1 O py 6 0.322517 1 O py 12 0.310240 1 O py 4 0.283102 1 O s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 0.185064 1 O s 32 -0.117452 2 H s 46 -0.117451 3 H s 31 -0.080858 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 45 -0.080858 3 H s 3 0.053648 1 O s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 5 Occ=2.000000D+00 E=-4.401861D-01 MO Center= -5.4D-08, 8.1D-02, -1.5D-12, r^2= 6.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 10 0.410772 1 O pz 13 0.404253 1 O pz 7 0.365547 1 O pz 39 0.034460 2 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 53 0.034460 3 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 6 Occ=0.000000D+00 E= 1.105885D-01 MO Center= 2.4D-06, -6.4D-01, -2.8D-13, r^2= 3.6D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.447214 1 O s 33 -0.891467 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 47 -0.891464 3 H s 12 -0.427171 1 O py 32 -0.259700 2 H s 46 -0.259701 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 9 -0.196089 1 O py 2 0.126947 1 O s 37 0.123580 2 H px 51 -0.123581 3 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 7 Occ=0.000000D+00 E= 1.753988D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -3.6D-06, -6.8D-01, 1.4D-13, r^2= 4.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 33 1.689894 2 H s 47 -1.689898 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 11 -0.801655 1 O px 8 -0.217140 1 O px 5 -0.166742 1 O px 32 0.146920 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 46 -0.146922 3 H s 37 -0.115164 2 H px 51 -0.115165 3 H px 38 0.092108 2 H py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 8 Occ=0.000000D+00 E= 4.875534D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 8.1D-06, -8.6D-02, 2.1D-14, r^2= 2.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.451173 2 H s 46 -1.451166 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 11 -1.061934 1 O px 33 -0.717257 2 H s 47 0.717247 3 H s 8 -0.264800 1 O px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 5 -0.124598 1 O px 31 0.113096 2 H s 45 -0.113095 3 H s 19 0.108751 1 O d -2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 9 Occ=0.000000D+00 E= 5.439157D-01 MO Center= -5.3D-06, -5.4D-01, 1.1D-12, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 32 1.152802 2 H s 46 1.152823 3 H s 33 -0.651247 2 H s 47 -0.651251 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 12 0.343690 1 O py 37 0.285462 2 H px 51 -0.285461 3 H px 2 -0.197948 1 O s 4 -0.190738 1 O s 9 0.176224 1 O py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 10 Occ=0.000000D+00 E= 6.127497D-01 MO Center= -2.5D-07, 3.4D-01, -8.6D-13, r^2= 2.2D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 4.363490 1 O s 12 -2.579097 1 O py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 32 -2.270193 2 H s 46 -2.270199 3 H s 37 0.818133 2 H px 51 -0.818137 3 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 38 -0.623859 2 H py 52 -0.623859 3 H py 33 -0.395407 2 H s 47 -0.395412 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 11 Occ=0.000000D+00 E= 7.194691D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.9D-06, 7.0D-02, -3.6D-12, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 1.108917 1 O pz 10 -0.757332 1 O pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 7 -0.291593 1 O pz 39 0.048336 2 H pz 53 0.048333 3 H pz 20 -0.030716 1 O d -1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 12 Occ=0.000000D+00 E= 7.367166D-01 MO Center= -1.6D-06, 1.1D-01, -1.8D-13, r^2= 3.0D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 2.906548 1 O px 32 -1.567135 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 46 1.567143 3 H s 33 -1.432430 2 H s 47 1.432430 3 H s 37 0.840204 2 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 51 0.840211 3 H px 38 -0.672078 2 H py 52 0.672072 3 H py 19 -0.435588 1 O d -2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 13 Occ=0.000000D+00 E= 7.388083D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -1.2D-07, -1.5D-01, 5.9D-12, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 12 1.481635 1 O py 32 1.109757 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 46 1.109748 3 H s 4 -1.011800 1 O s 37 -0.613972 2 H px 51 0.613965 3 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 38 -0.609461 2 H py 52 -0.609468 3 H py 33 -0.218705 2 H s 47 -0.218716 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 14 Occ=0.000000D+00 E= 8.016777D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -3.9D-07, -4.6D-01, -2.4D-13, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 39 0.835714 2 H pz 53 -0.835713 3 H pz 36 -0.054701 2 H pz 50 0.054701 3 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 17 -0.026077 1 O d 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 15 Occ=0.000000D+00 E= 8.933689D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -1.4D-06, -2.0D-01, -1.3D-12, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 1.162420 1 O pz 39 -0.987665 2 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 53 -0.987668 3 H pz 36 0.066321 2 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 50 0.066321 3 H pz 43 -0.040927 2 H d 1 57 0.040927 3 H d 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 16 Occ=0.000000D+00 E= 1.065407D+00 MO Center= 3.2D-07, 1.7D-01, -7.4D-13, r^2= 1.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 6.878118 1 O s 32 -2.822750 2 H s 46 -2.822768 3 H s 12 -1.697237 1 O py 37 1.123090 2 H px 51 -1.123094 3 H px 9 -0.998553 1 O py 2 -0.887167 1 O s 38 -0.725497 2 H py 52 -0.725503 3 H py Vector 17 Occ=0.000000D+00 E= 1.132182D+00 MO Center= -1.4D-08, -3.6D-01, -7.5D-15, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 1.685224 1 O px 38 -1.068944 2 H py 52 1.068943 3 H py 32 -0.938549 2 H s 46 0.938540 3 H s 37 -0.579018 2 H px 51 -0.579021 3 H px 8 0.179306 1 O px 33 -0.101094 2 H s 47 0.101092 3 H s Vector 18 Occ=0.000000D+00 E= 1.421509D+00 MO Center= 4.2D-05, -5.0D-01, 2.3D-14, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 37 -1.485797 2 H px 51 -1.485742 3 H px 32 1.388230 2 H s 46 -1.388179 3 H s 8 -1.159338 1 O px 38 1.063672 2 H py 52 -1.063625 3 H py 11 -0.931097 1 O px 33 0.830145 2 H s 47 -0.830128 3 H s Vector 19 Occ=0.000000D+00 E= 1.452606D+00 MO Center= -4.2D-05, -5.2D-01, -2.3D-14, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 2.158092 1 O s 37 1.088500 2 H px 51 -1.088578 3 H px 32 -1.000522 2 H s 46 -1.000593 3 H s 2 0.899528 1 O s 38 -0.862648 2 H py 52 -0.862700 3 H py 9 -0.614228 1 O py 12 -0.373695 1 O py Vector 20 Occ=0.000000D+00 E= 1.921331D+00 MO Center= 2.3D-06, 2.2D-02, 5.3D-14, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 1.162649 1 O d -1 13 -0.711597 1 O pz 39 0.674828 2 H pz 53 0.674812 3 H pz 41 0.069809 2 H d -1 55 0.069810 3 H d -1 10 -0.043002 1 O pz 36 -0.038410 2 H pz 50 -0.038408 3 H pz Vector 21 Occ=0.000000D+00 E= 1.942262D+00 MO Center= -2.1D-06, 1.7D-02, -7.4D-13, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 22 1.224756 1 O d 1 39 0.608340 2 H pz 53 -0.608361 3 H pz 36 -0.053795 2 H pz 50 0.053796 3 H pz 43 0.053497 2 H d 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 57 0.053497 3 H d 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 22 Occ=0.000000D+00 E= 1.959813D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -6.4D-07, 1.1D-01, 8.4D-13, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 32 4.428002 2 H s 46 -4.428041 3 H s 11 -2.784197 1 O px 8 -1.756404 1 O px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 1.730319 1 O d -2 37 -1.732663 2 H px 51 -1.732676 3 H px 38 1.250211 2 H py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 52 -1.250218 3 H py 31 -0.416179 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 23 Occ=0.000000D+00 E= 2.045203D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -6.6D-08, -8.1D-02, 1.2D-13, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 2.378966 1 O s 32 -1.648346 2 H s 46 -1.648326 3 H s 23 1.329333 1 O d 2 38 -0.996567 2 H py 52 -0.996562 3 H py 9 -0.390414 1 O py 2 0.388402 1 O s 12 -0.273664 1 O py 21 -0.273730 1 O d 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 24 Occ=0.000000D+00 E= 2.113127D+00 MO Center= -9.2D-08, 2.1D-01, 4.5D-13, r^2= 1.3D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 6.807841 1 O s 32 -4.169939 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 46 -4.169928 3 H s 12 -2.747860 1 O py 37 1.521070 2 H px 51 -1.521064 3 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 21 -1.450866 1 O d 0 9 -0.884703 1 O py 38 -0.742533 2 H py 52 -0.742525 3 H py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 25 Occ=0.000000D+00 E= 2.427270D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.7D-06, -3.4D-01, -1.4D-13, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.524249 2 H s 46 1.524243 3 H s 31 -0.950664 2 H s 45 -0.950660 3 H s 4 -0.654299 1 O s 2 -0.419848 1 O s 9 0.383132 1 O py 23 0.380228 1 O d 2 12 0.377112 1 O py 33 -0.352637 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 26 Occ=0.000000D+00 E= 2.785582D+00 MO Center= -9.9D-08, -1.8D-01, 5.1D-14, r^2= 1.2D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 31 0.872490 2 H s 45 -0.872491 3 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 32 -0.738131 2 H s 46 0.738133 3 H s 19 0.667545 1 O d -2 33 0.580433 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 47 -0.580434 3 H s 8 0.515362 1 O px 11 -0.507041 1 O px 5 -0.335184 1 O px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 27 Occ=0.000000D+00 E= 3.205453D+00 MO Center= 9.4D-07, -3.5D-01, -1.8D-14, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 41 0.525597 2 H d -1 55 0.525596 3 H d -1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 43 -0.352054 2 H d 1 57 0.352053 3 H d 1 20 -0.313841 1 O d -1 36 0.219554 2 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 50 0.219554 3 H pz 39 -0.211718 2 H pz 53 -0.211718 3 H pz 7 -0.140496 1 O pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 28 Occ=0.000000D+00 E= 3.343857D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.3D-07, -3.7D-01, -8.2D-15, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.080752 1 O s 32 -0.884889 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 46 -0.884896 3 H s 42 -0.581441 2 H d 0 56 -0.581441 3 H d 0 12 -0.361538 1 O py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 40 0.322019 2 H d -2 54 -0.322021 3 H d -2 23 0.319580 1 O d 2 31 0.306175 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 29 Occ=0.000000D+00 E= 3.430370D+00 MO Center= 1.3D-06, -5.1D-01, 5.7D-14, r^2= 9.1D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 36 0.479401 2 H pz 50 -0.479399 3 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 41 -0.401098 2 H d -1 55 0.401100 3 H d -1 43 0.398526 2 H d 1 57 0.398523 3 H d 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 39 -0.289858 2 H pz 53 0.289857 3 H pz 25 -0.125270 1 O f -2 17 -0.053528 1 O d 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 30 Occ=0.000000D+00 E= 3.509450D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 9.7D-07, -4.7D-01, -7.4D-14, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 40 0.422395 2 H d -2 54 0.422393 3 H d -2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 42 -0.393408 2 H d 0 56 0.393407 3 H d 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 19 -0.347562 1 O d -2 44 -0.343720 2 H d 2 58 0.343721 3 H d 2 37 0.332355 2 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 51 0.332353 3 H px 31 -0.318863 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 31 Occ=0.000000D+00 E= 3.535518D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -1.9D-06, -7.0D-02, 2.9D-14, r^2= 7.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 0.909263 1 O pz 10 -0.828747 1 O pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 36 -0.422789 2 H pz 50 -0.422792 3 H pz 13 0.372199 1 O pz 20 -0.360480 1 O d -1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 43 -0.312403 2 H d 1 57 0.312404 3 H d 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 39 0.137564 2 H pz 53 0.137567 3 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 32 Occ=0.000000D+00 E= 3.687507D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -4.0D-06, -3.4D-01, -9.3D-14, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 11 0.826006 1 O px 32 -0.666678 2 H s 46 0.666684 3 H s 38 -0.641615 2 H py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 52 0.641626 3 H py 35 0.591970 2 H py 49 -0.591977 3 H py 34 0.536389 2 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 48 0.536391 3 H px 19 -0.398500 1 O d -2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 33 Occ=0.000000D+00 E= 3.744610D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 5.4D-06, -5.4D-01, -1.0D-14, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 38 -0.623015 2 H py 52 -0.623009 3 H py 35 0.613506 2 H py 49 0.613498 3 H py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 44 0.448215 2 H d 2 58 0.448217 3 H d 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 34 0.354936 2 H px 48 -0.354929 3 H px 23 0.330862 1 O d 2 12 0.323221 1 O py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 34 Occ=0.000000D+00 E= 3.806385D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -2.5D-06, -3.7D-01, 1.4D-13, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 36 0.698313 2 H pz 50 -0.698316 3 H pz 39 -0.448344 2 H pz 53 0.448348 3 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 43 -0.396392 2 H d 1 57 -0.396394 3 H d 1 41 0.265341 2 H d -1 55 -0.265340 3 H d -1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 22 0.196142 1 O d 1 25 -0.179398 1 O f -2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 35 Occ=0.000000D+00 E= 3.850456D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 3.2D-06, -4.4D-01, 7.6D-14, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 39 -0.734167 2 H pz 53 -0.734164 3 H pz 36 0.696684 2 H pz 50 0.696680 3 H pz 13 0.691703 1 O pz 7 0.407787 1 O pz 41 -0.371140 2 H d -1 55 -0.371141 3 H d -1 43 -0.328356 2 H d 1 57 0.328356 3 H d 1 Vector 36 Occ=0.000000D+00 E= 3.866447D+00 MO Center= 8.3D-06, -3.5D-01, -1.9D-13, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.608773 1 O px 32 -1.468789 2 H s 46 1.468764 3 H s 37 1.119571 2 H px 51 1.119555 3 H px 38 -0.994074 2 H py 52 0.994058 3 H py 5 -0.698482 1 O px 11 0.561109 1 O px 35 0.425540 2 H py Vector 37 Occ=0.000000D+00 E= 3.937700D+00 MO Center= -8.7D-06, -1.7D-01, 2.6D-14, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 3.867854 1 O s 32 -2.035630 2 H s 46 -2.035669 3 H s 9 -1.595241 1 O py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 37 1.211848 2 H px 51 -1.211875 3 H px 38 -0.946727 2 H py 52 -0.946746 3 H py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 6 0.899693 1 O py 12 -0.665363 1 O py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 38 Occ=0.000000D+00 E= 4.143339D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.1D-06, -3.8D-01, -9.2D-14, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 22 1.021320 1 O d 1 41 0.700731 2 H d -1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 55 -0.700730 3 H d -1 43 0.594088 2 H d 1 57 0.594088 3 H d 1 39 0.529193 2 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 53 -0.529193 3 H pz 17 -0.100596 1 O d 1 25 -0.064501 1 O f -2 36 -0.036329 2 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 39 Occ=0.000000D+00 E= 4.179434D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -8.2D-07, -1.6D-01, -2.2D-14, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 23 1.007476 1 O d 2 44 0.634046 2 H d 2 58 0.634048 3 H d 2 4 0.621289 1 O s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 35 -0.491630 2 H py 49 -0.491633 3 H py 21 -0.468079 1 O d 0 2 -0.385349 1 O s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 37 -0.376850 2 H px 51 0.376849 3 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 40 Occ=0.000000D+00 E= 4.390169D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 1.0D-06, -4.3D-01, -2.2D-15, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 44 0.578113 2 H d 2 58 -0.578111 3 H d 2 37 -0.531810 2 H px 51 -0.531816 3 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 40 0.519475 2 H d -2 54 0.519474 3 H d -2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 5 0.505055 1 O px 38 -0.482444 2 H py 52 0.482441 3 H py 11 0.397623 1 O px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 41 Occ=0.000000D+00 E= 4.438989D+00 MO Center= -2.0D-06, -1.7D-01, -9.8D-14, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 10 1.385388 1 O pz 7 -0.673463 1 O pz 20 -0.673084 1 O d -1 43 -0.618078 2 H d 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 57 0.618083 3 H d 1 41 -0.360704 2 H d -1 55 -0.360706 3 H d -1 39 -0.319162 2 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 53 -0.319166 3 H pz 27 0.290108 1 O f 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Vector 42 Occ=0.000000D+00 E= 4.661035D+00 MO Center= 3.7D-06, -3.4D-01, 4.7D-14, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] ----- ------------ --------------- ----- ------------ --------------- 32 3.125607 2 H s 46 -3.125585 3 H s 8 -2.049142 1 O px 37 -1.725791 2 H px 51 -1.725783 3 H px 11 -1.374996 1 O px 19 1.168488 1 O d -2 38 0.918197 2 H py 52 -0.918182 3 H py 42 -0.740607 2 H d 0 Vector 43 Occ=0.000000D+00 E= 4.897346D+00 MO Center= -5.7D-06, -2.8D-01, -2.4D-13, r^2= 8.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 2.925266 1 O s 32 -2.031337 2 H s Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] 46 -2.031382 3 H s 2 1.023738 1 O s 23 0.830527 1 O d 2 38 -0.787491 2 H py Sending upstream hdr.cmd = CMD_STDOUT 52 -0.787505 3 H py 37 0.775621 2 H px 51 -0.775642 3 H px 40 0.752565 2 H d -2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 44 Occ=0.000000D+00 E= 4.991644D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -1.1D-07, -3.8D-02, -4.8D-14, r^2= 8.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 3.879710 1 O s 32 -2.376930 2 H s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 46 -2.376935 3 H s 9 -2.268755 1 O py 12 -1.068096 1 O py 37 0.955242 2 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 51 -0.955241 3 H px 21 -0.674666 1 O d 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 34 0.635297 2 H px 48 -0.635302 3 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 45 Occ=0.000000D+00 E= 5.246698D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= 4.8D-07, -1.0D-02, -4.6D-14, r^2= 7.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 8 2.574435 1 O px 32 -2.199481 2 H s 46 2.199473 3 H s 19 -1.246876 1 O d -2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 11 1.008266 1 O px 38 -0.807578 2 H py 52 0.807574 3 H py 37 0.760069 2 H px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 51 0.760066 3 H px 5 -0.698078 1 O px [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 46 Occ=0.000000D+00 E= 5.760503D+00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -2.6D-07, 1.7D-02, -5.1D-14, r^2= 5.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 29 0.996688 1 O f 2 43 0.263436 2 H d 1 57 -0.263436 3 H d 1 27 0.247385 1 O f 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 41 -0.213772 2 H d -1 55 -0.213774 3 H d -1 15 0.164702 1 O d -1 10 -0.120957 1 O pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 20 0.102085 1 O d -1 36 0.058804 2 H pz [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Vector 47 Occ=0.000000D+00 E= 6.260172D+00 MO Center= -1.0D-07, -1.4D-01, 1.2D-13, r^2= 6.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 26 0.879071 1 O f -1 9 -0.772443 1 O py 23 -0.743553 1 O d 2 2 -0.646549 1 O s 32 0.596196 2 H s 46 0.596210 3 H s 34 0.545213 2 H px 48 -0.545212 3 H px 4 -0.498576 1 O s 38 0.491089 2 H py Vector 48 Occ=0.000000D+00 E= 6.560491D+00 MO Center= 3.7D-05, 4.7D-02, -4.4D-14, r^2= 4.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 15 1.005576 1 O d -1 10 -0.505025 1 O pz 27 0.471753 1 O f 0 29 -0.302216 1 O f 2 41 0.295200 2 H d -1 55 0.295173 3 H d -1 20 -0.281690 1 O d -1 36 0.240630 2 H pz 50 0.240593 3 H pz 43 0.222020 2 H d 1 Vector 49 Occ=0.000000D+00 E= 6.568457D+00 MO Center= -3.3D-05, 6.2D-02, 3.3D-13, r^2= 3.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.155729 1 O d 1 22 -0.520767 1 O d 1 25 0.214630 1 O f -2 43 0.176494 2 H d 1 57 0.176557 3 H d 1 39 -0.115862 2 H pz 53 0.115879 3 H pz 36 0.104433 2 H pz 50 -0.104504 3 H pz 41 0.072987 2 H d -1 Vector 50 Occ=0.000000D+00 E= 6.653007D+00 MO Center= 7.1D-06, -1.6D-02, 2.7D-13, r^2= 4.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 18 0.986969 1 O d 2 2 -0.701953 1 O s 24 -0.576741 1 O f -3 1 -0.534645 1 O s 3 0.404837 1 O s 23 -0.361766 1 O d 2 31 -0.326701 2 H s 45 -0.326676 3 H s 38 0.312690 2 H py 52 0.312710 3 H py Vector 51 Occ=0.000000D+00 E= 6.691286D+00 MO Center= -1.9D-06, 8.0D-02, -4.3D-13, r^2= 6.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 1.071096 1 O d -1 27 1.021517 1 O f 0 10 -0.915777 1 O pz 15 -0.615241 1 O d -1 43 0.533444 2 H d 1 57 -0.533445 3 H d 1 39 0.424617 2 H pz 53 0.424613 3 H pz 36 0.388925 2 H pz 50 0.388925 3 H pz Vector 52 Occ=0.000000D+00 E= 6.720484D+00 MO Center= -7.2D-06, 2.6D-02, -4.0D-13, r^2= 7.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.693936 1 O px 19 -0.836012 1 O d -2 28 0.798249 1 O f 1 32 -0.765825 2 H s 46 0.765818 3 H s 30 -0.746629 1 O f 3 11 0.615562 1 O px 5 -0.604906 1 O px 31 -0.562871 2 H s 45 0.562886 3 H s Vector 53 Occ=0.000000D+00 E= 6.827482D+00 MO Center= -4.6D-07, 1.3D-01, -1.9D-13, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.271313 1 O s 23 -1.012386 1 O d 2 32 -0.935297 2 H s 46 -0.935295 3 H s 16 0.891582 1 O d 0 12 -0.767417 1 O py 9 -0.652774 1 O py 21 -0.638341 1 O d 0 24 0.606047 1 O f -3 37 0.492257 2 H px Vector 54 Occ=0.000000D+00 E= 6.929801D+00 MO Center= -1.9D-06, 4.3D-02, -2.9D-14, r^2= 6.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 1.266907 1 O f -2 22 1.131772 1 O d 1 43 0.526199 2 H d 1 57 0.526207 3 H d 1 36 0.489290 2 H pz 50 -0.489298 3 H pz 41 0.450071 2 H d -1 55 -0.450076 3 H d -1 39 0.345707 2 H pz 53 -0.345712 3 H pz Vector 55 Occ=0.000000D+00 E= 7.110935D+00 MO Center= -2.4D-10, 1.0D-01, -5.7D-14, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.123332 1 O s 23 0.998748 1 O d 2 24 -0.862201 1 O f -3 21 -0.746166 1 O d 0 16 0.735269 1 O d 0 2 -0.647731 1 O s 18 -0.528534 1 O d 2 31 -0.506392 2 H s 45 -0.506393 3 H s 44 0.349342 2 H d 2 Vector 56 Occ=0.000000D+00 E= 7.449390D+00 MO Center= -4.7D-07, 1.0D-01, -4.1D-14, r^2= 6.5D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.660944 1 O d -2 30 -1.068118 1 O f 3 8 -0.940431 1 O px 31 0.847725 2 H s 45 -0.847731 3 H s 11 -0.682813 1 O px 32 0.684300 2 H s 46 -0.684295 3 H s 14 -0.675369 1 O d -2 34 -0.599147 2 H px Vector 57 Occ=0.000000D+00 E= 7.899201D+00 MO Center= 2.9D-07, -1.3D-01, -5.7D-14, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 2.751831 1 O px 32 -2.173436 2 H s 46 2.173434 3 H s 14 -1.056483 1 O d -2 19 -0.918035 1 O d -2 37 0.920368 2 H px 51 0.920367 3 H px 34 0.882958 2 H px 48 0.882961 3 H px 38 -0.619941 2 H py Vector 58 Occ=0.000000D+00 E= 1.226570D+01 MO Center= -7.7D-07, -1.4D-01, -2.3D-14, r^2= 8.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 5.795335 1 O s 1 3.728747 1 O s 4 3.536260 1 O s 32 -3.542889 2 H s 46 -3.542912 3 H s 9 -2.660932 1 O py 3 -2.635354 1 O s 37 1.373911 2 H px 51 -1.373920 3 H px 38 -1.169677 2 H py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT center of mass -------------- x = 0.00000000 y = 0.09911481 z = 0.00000000 moments of inertia (a.u.) ------------------ 2.266428026031 0.000005469268 0.000000000000 0.000005469268 4.155714155453 0.000000000000 0.000000000000 0.000000000000 6.422142181484 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Multipole analysis of the density --------------------------------- L x y z total alpha beta nuclear - - - - ----- ----- ---- ------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 -5.000000 -5.000000 10.000000 1 1 0 0 -0.000000 -0.000000 -0.000000 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 0 1 0 -0.803746 -0.401873 -0.401873 0.000000 1 0 0 1 -0.000000 -0.000000 -0.000000 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 2 0 0 -3.369687 -3.746568 -3.746568 4.123448 2 1 1 0 -0.000002 0.000002 0.000002 -0.000005 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 1 0 1 0.000000 0.000000 0.000000 0.000000 2 0 2 0 -4.738958 -3.382369 -3.382369 2.025780 2 0 1 1 0.000000 0.000000 0.000000 0.000000 2 0 0 2 -5.663805 -2.831903 -2.831903 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------- Dipole Moment ------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: setting std/high accuracies to 1.0D-15 1.0D-30 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Center of charge (in au) is the expansion point X = 0.0000000 Y = 0.0000000 Z = 0.0000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Dipole moment 0.8037457451 A.U. DMX -0.0000002697 DMXEFC 0.0000000000 DMY -0.8037457451 DMYEFC 0.0000000000 DMZ -0.0000000000 DMZEFC 0.0000000000 -EFC- dipole 0.0000000000 A.U. Total dipole 0.8037457451 A.U. Dipole moment 2.0429333504 Debye(s) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT DMX -0.0000006854 DMXEFC 0.0000000000 DMY -2.0429333504 DMYEFC 0.0000000000 DMZ -0.0000000000 DMZEFC 0.0000000000 -EFC- dipole 0.0000000000 DEBYE(S) Total dipole 2.0429333504 DEBYE(S) 1 a.u. = 2.541766 Debyes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Task times cpu: 326.2s wall: 18.6s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem DFT Module ----------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: setting std/high accuracies to 1.0D-15 1.0D-30 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT O cc-pvtz 10 30 4s3p2d1f H cc-pvtz 6 14 3s2p1d [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: setting std/high accuracies to 1.0D-15 1.0D-30 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Caching 1-el integrals [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT itol2e modified to match energy convergence criterion. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT General Information ------------------- SCF calculation type: DFT Wavefunction type: closed shell. No. of atoms : 3 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT No. of electrons : 10 Alpha electrons : 5 Beta electrons : 5 Charge : 0 Spin multiplicity: 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Use of symmetry is: off; symmetry adaption is: off Maximum number of iterations: 50 AO basis - number of functions: 58 number of shells: 22 A Charge density fitting basis will be used. CD basis - number of functions: 74 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT number of shells: 26 Convergence on energy requested: 1.00D-07 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT XC Information -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Hartree-Fock (Exact) Exchange 1.000 LC-BNL 2007 Exchange Functional 0.900 local Lee-Yang-Parr Correlation Functional 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Range-Separation Parameters --------------------------- Alpha : 0.00 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Beta : 1.00 Gamma : 0.50 Short-Range HF : F Grid Information ---------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid used for XC integration: fine Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT O 0.60 70 6.0 590 H 0.35 60 7.0 590 Grid pruning is: on Number of quadrature shells: 190 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Spatial weights used: Erf1 Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information ------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Density screening/tol_rho: 1.00D-11 AO Gaussian exp screening on grid/accAOfunc: 16 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Loading old vectors from job with title : [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time after variat. SCF: 56.3 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 3 Center 2 Electron Integral Information ---------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Maximum number of 3-center 2e- integrals is: 248936. This is reduced with Schwarz screening to: 218300. Incore requires a per proc buffer size of: 95609. Minimum dble words available (all nodes) is: 18872764 This is reduced (for later use) to: 18411003 proc 0 Suggested buffer size is: 95609 Max Suggested buffer size is: 95609 no. integral batches is: 1000 0.096 MW buffer allocated for incore 3-center 2e- integral storage on stack. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 56.4 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid_pts file = ./h2o_bnl.gridpts.0 Record size in doubles = 12289 No. of grid_pts per rec = 3070 Max. records in memory = 22 Max. recs in file = 506625431 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Memory utilization after 1st SCF pass: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Heap Space remaining (MW): 0.00 120 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Stack Space remaining (MW): 26.12 26117308 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT convergence iter energy DeltaE RMS-Dens Diis-err time [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ---------------- ----- ----------------- --------- --------- --------- ------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 1 -75.2185510875 -8.43D+01 1.52D-07 3.58D-11 64.8 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 2 -75.2185510875 -1.56D-11 8.32D-08 7.58D-12 73.7 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Total DFT energy = -75.218551087477 One electron energy = -122.612233067054 Coulomb energy = 46.290151673548 Exchange-Corr. energy = -8.015486317808 Nuclear repulsion energy = 9.119016623837 Numeric. integr. density = 10.000000185638 Total iterative time = 17.4s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] DFT Final Molecular Orbital Analysis ------------------------------------ Vector 1 Occ=2.000000D+00 E=-1.866226D+01 Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT MO Center= -2.5D-10, 1.2D-01, -1.4D-14, r^2= 1.5D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1 0.949623 1 O s 3 0.073374 1 O s 2 -0.027986 1 O s Vector 2 Occ=2.000000D+00 E=-1.144985D+00 MO Center= -5.9D-07, -8.8D-02, -7.3D-12, r^2= 5.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.468703 1 O s 4 0.290600 1 O s 3 0.125868 1 O s 31 0.092043 2 H s 45 0.092043 3 H s 9 -0.082429 1 O py 32 0.079082 2 H s 46 0.079082 3 H s 6 -0.065332 1 O py Vector 3 Occ=2.000000D+00 E=-6.517715D-01 MO Center= 5.0D-07, -9.5D-02, 2.5D-12, r^2= 7.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 0.322314 1 O px 5 0.299154 1 O px 32 0.214029 2 H s 46 -0.214029 3 H s 11 0.163777 1 O px 31 0.140067 2 H s 45 -0.140067 3 H s 33 0.087085 2 H s 47 -0.087085 3 H s Vector 4 Occ=2.000000D+00 E=-5.128500D-01 MO Center= 2.2D-07, 2.0D-01, 7.5D-13, r^2= 7.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 0.354081 1 O py 6 0.322518 1 O py 12 0.310242 1 O py 4 0.283098 1 O s 2 0.185063 1 O s 32 -0.117450 2 H s 46 -0.117450 3 H s 31 -0.080857 2 H s 45 -0.080857 3 H s 3 0.053648 1 O s Vector 5 Occ=2.000000D+00 E=-4.401856D-01 MO Center= -5.4D-08, 8.1D-02, -1.6D-12, r^2= 6.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 0.410772 1 O pz 13 0.404253 1 O pz 7 0.365547 1 O pz 39 0.034460 2 H pz 53 0.034460 3 H pz Vector 6 Occ=0.000000D+00 E= 1.105884D-01 MO Center= 2.4D-06, -6.4D-01, -1.3D-11, r^2= 3.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.447214 1 O s 33 -0.891467 2 H s 47 -0.891464 3 H s 12 -0.427168 1 O py 32 -0.259699 2 H s 46 -0.259700 3 H s 9 -0.196087 1 O py 2 0.126947 1 O s 37 0.123580 2 H px 51 -0.123580 3 H px Vector 7 Occ=0.000000D+00 E= 1.753989D-01 MO Center= -3.6D-06, -6.8D-01, -3.4D-12, r^2= 4.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 33 1.689895 2 H s 47 -1.689898 3 H s 11 -0.801656 1 O px 8 -0.217140 1 O px 5 -0.166743 1 O px 32 0.146920 2 H s 46 -0.146921 3 H s 37 -0.115164 2 H px 51 -0.115165 3 H px 38 0.092107 2 H py Vector 8 Occ=0.000000D+00 E= 4.875535D-01 MO Center= 8.1D-06, -8.6D-02, -1.6D-12, r^2= 2.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.451171 2 H s 46 -1.451164 3 H s 11 -1.061932 1 O px 33 -0.717257 2 H s 47 0.717248 3 H s 8 -0.264800 1 O px 5 -0.124599 1 O px 31 0.113096 2 H s 45 -0.113095 3 H s 19 0.108750 1 O d -2 Vector 9 Occ=0.000000D+00 E= 5.439155D-01 MO Center= -5.3D-06, -5.4D-01, 6.9D-12, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.152801 2 H s 46 1.152823 3 H s 33 -0.651247 2 H s 47 -0.651251 3 H s 12 0.343688 1 O py 37 0.285463 2 H px 51 -0.285462 3 H px 2 -0.197948 1 O s 4 -0.190736 1 O s 9 0.176224 1 O py Vector 10 Occ=0.000000D+00 E= 6.127501D-01 MO Center= -2.5D-07, 3.4D-01, 1.4D-12, r^2= 2.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 4.363492 1 O s 12 -2.579096 1 O py 32 -2.270193 2 H s 46 -2.270199 3 H s 37 0.818133 2 H px 51 -0.818137 3 H px 38 -0.623861 2 H py 52 -0.623861 3 H py 33 -0.395408 2 H s 47 -0.395412 3 H s Vector 11 Occ=0.000000D+00 E= 7.194694D-01 MO Center= 1.9D-06, 7.0D-02, -8.4D-11, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 1.108916 1 O pz 10 -0.757332 1 O pz 7 -0.291593 1 O pz 39 0.048337 2 H pz 53 0.048333 3 H pz 20 -0.030716 1 O d -1 Vector 12 Occ=0.000000D+00 E= 7.367170D-01 MO Center= -1.6D-06, 1.1D-01, -2.8D-11, r^2= 3.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 2.906548 1 O px 32 -1.567135 2 H s 46 1.567144 3 H s 33 -1.432429 2 H s 47 1.432430 3 H s 37 0.840205 2 H px 51 0.840211 3 H px 38 -0.672078 2 H py 52 0.672072 3 H py 19 -0.435588 1 O d -2 Vector 13 Occ=0.000000D+00 E= 7.388084D-01 MO Center= -1.2D-07, -1.5D-01, 4.8D-11, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.481639 1 O py 32 1.109761 2 H s 46 1.109752 3 H s 4 -1.011807 1 O s 37 -0.613973 2 H px 51 0.613966 3 H px 38 -0.609460 2 H py 52 -0.609467 3 H py 33 -0.218704 2 H s 47 -0.218716 3 H s Vector 14 Occ=0.000000D+00 E= 8.016775D-01 MO Center= -3.9D-07, -4.6D-01, 2.5D-12, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 39 0.835714 2 H pz 53 -0.835713 3 H pz 36 -0.054701 2 H pz 50 0.054701 3 H pz 17 -0.026077 1 O d 1 Vector 15 Occ=0.000000D+00 E= 8.933690D-01 MO Center= -1.4D-06, -2.0D-01, -1.5D-11, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 13 1.162421 1 O pz 39 -0.987665 2 H pz 53 -0.987668 3 H pz 36 0.066321 2 H pz 50 0.066321 3 H pz 43 -0.040927 2 H d 1 57 0.040927 3 H d 1 Vector 16 Occ=0.000000D+00 E= 1.065407D+00 MO Center= 3.2D-07, 1.7D-01, 5.4D-11, r^2= 1.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 6.878116 1 O s 32 -2.822749 2 H s 46 -2.822767 3 H s 12 -1.697236 1 O py 37 1.123090 2 H px 51 -1.123094 3 H px 9 -0.998553 1 O py 2 -0.887167 1 O s 38 -0.725497 2 H py 52 -0.725503 3 H py Vector 17 Occ=0.000000D+00 E= 1.132181D+00 MO Center= -1.4D-08, -3.6D-01, 1.7D-12, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 1.685225 1 O px 38 -1.068944 2 H py 52 1.068943 3 H py 32 -0.938549 2 H s 46 0.938540 3 H s 37 -0.579018 2 H px 51 -0.579021 3 H px 8 0.179305 1 O px 33 -0.101094 2 H s 47 0.101092 3 H s Vector 18 Occ=0.000000D+00 E= 1.421509D+00 MO Center= 4.2D-05, -5.0D-01, -8.7D-13, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 37 -1.485797 2 H px 51 -1.485742 3 H px 32 1.388230 2 H s 46 -1.388179 3 H s 8 -1.159338 1 O px 38 1.063672 2 H py 52 -1.063625 3 H py 11 -0.931097 1 O px 33 0.830145 2 H s 47 -0.830128 3 H s Vector 19 Occ=0.000000D+00 E= 1.452606D+00 MO Center= -4.2D-05, -5.2D-01, 1.1D-12, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 2.158091 1 O s 37 1.088500 2 H px 51 -1.088578 3 H px 32 -1.000522 2 H s 46 -1.000592 3 H s 2 0.899528 1 O s 38 -0.862648 2 H py 52 -0.862700 3 H py 9 -0.614228 1 O py 12 -0.373695 1 O py Vector 20 Occ=0.000000D+00 E= 1.921331D+00 MO Center= 2.3D-06, 2.2D-02, 2.3D-12, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 1.162648 1 O d -1 13 -0.711597 1 O pz 39 0.674828 2 H pz 53 0.674811 3 H pz 41 0.069809 2 H d -1 55 0.069810 3 H d -1 10 -0.043002 1 O pz 36 -0.038410 2 H pz 50 -0.038408 3 H pz Vector 21 Occ=0.000000D+00 E= 1.942263D+00 MO Center= -2.1D-06, 1.7D-02, 1.8D-12, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 22 1.224756 1 O d 1 39 0.608339 2 H pz 53 -0.608361 3 H pz 36 -0.053795 2 H pz 50 0.053796 3 H pz 43 0.053497 2 H d 1 57 0.053497 3 H d 1 Vector 22 Occ=0.000000D+00 E= 1.959813D+00 MO Center= -6.4D-07, 1.1D-01, 4.4D-12, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 4.428003 2 H s 46 -4.428042 3 H s 11 -2.784197 1 O px 8 -1.756404 1 O px 19 1.730319 1 O d -2 37 -1.732663 2 H px 51 -1.732675 3 H px 38 1.250211 2 H py 52 -1.250218 3 H py 31 -0.416179 2 H s Vector 23 Occ=0.000000D+00 E= 2.045203D+00 MO Center= -6.6D-08, -8.1D-02, 4.7D-13, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 2.378978 1 O s 32 -1.648354 2 H s 46 -1.648334 3 H s 23 1.329333 1 O d 2 38 -0.996568 2 H py 52 -0.996563 3 H py 9 -0.390416 1 O py 2 0.388403 1 O s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 12 -0.273669 1 O py 21 -0.273732 1 O d 0 Vector 24 Occ=0.000000D+00 E= 2.113128D+00 MO Center= -9.2D-08, 2.1D-01, 1.7D-12, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 6.807838 1 O s 32 -4.169937 2 H s 46 -4.169926 3 H s 12 -2.747860 1 O py 37 1.521069 2 H px 51 -1.521064 3 H px 21 -1.450865 1 O d 0 9 -0.884702 1 O py 38 -0.742531 2 H py 52 -0.742523 3 H py Vector 25 Occ=0.000000D+00 E= 2.427270D+00 MO Center= 1.7D-06, -3.4D-01, 8.4D-12, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 1.524247 2 H s 46 1.524241 3 H s 31 -0.950664 2 H s 45 -0.950660 3 H s 4 -0.654297 1 O s 2 -0.419848 1 O s 9 0.383131 1 O py 23 0.380228 1 O d 2 12 0.377111 1 O py 33 -0.352637 2 H s Vector 26 Occ=0.000000D+00 E= 2.785582D+00 MO Center= -9.9D-08, -1.8D-01, 7.4D-12, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 31 0.872489 2 H s 45 -0.872491 3 H s 32 -0.738129 2 H s 46 0.738132 3 H s 19 0.667546 1 O d -2 33 0.580433 2 H s 47 -0.580434 3 H s 8 0.515362 1 O px 11 -0.507042 1 O px 5 -0.335184 1 O px Vector 27 Occ=0.000000D+00 E= 3.205452D+00 MO Center= 9.4D-07, -3.5D-01, 1.2D-13, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 41 0.525597 2 H d -1 55 0.525596 3 H d -1 43 -0.352054 2 H d 1 57 0.352053 3 H d 1 20 -0.313841 1 O d -1 36 0.219554 2 H pz 50 0.219554 3 H pz 39 -0.211718 2 H pz 53 -0.211718 3 H pz 7 -0.140496 1 O pz Vector 28 Occ=0.000000D+00 E= 3.343857D+00 MO Center= 1.3D-07, -3.7D-01, -1.7D-12, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.080751 1 O s 32 -0.884889 2 H s 46 -0.884895 3 H s 42 -0.581441 2 H d 0 56 -0.581441 3 H d 0 12 -0.361538 1 O py 40 0.322019 2 H d -2 54 -0.322021 3 H d -2 23 0.319579 1 O d 2 31 0.306175 2 H s Vector 29 Occ=0.000000D+00 E= 3.430370D+00 MO Center= 1.3D-06, -5.1D-01, -3.0D-12, r^2= 9.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 36 0.479401 2 H pz 50 -0.479399 3 H pz 41 -0.401098 2 H d -1 55 0.401100 3 H d -1 43 0.398526 2 H d 1 57 0.398523 3 H d 1 39 -0.289858 2 H pz 53 0.289858 3 H pz 25 -0.125270 1 O f -2 17 -0.053528 1 O d 1 Vector 30 Occ=0.000000D+00 E= 3.509450D+00 MO Center= 9.7D-07, -4.7D-01, -1.0D-12, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 40 0.422395 2 H d -2 54 0.422393 3 H d -2 42 -0.393408 2 H d 0 56 0.393407 3 H d 0 19 -0.347562 1 O d -2 44 -0.343720 2 H d 2 58 0.343721 3 H d 2 37 0.332355 2 H px 51 0.332354 3 H px 31 -0.318863 2 H s Vector 31 Occ=0.000000D+00 E= 3.535518D+00 MO Center= -1.9D-06, -7.0D-02, 4.1D-12, r^2= 7.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 0.909263 1 O pz 10 -0.828747 1 O pz 36 -0.422790 2 H pz 50 -0.422792 3 H pz 13 0.372198 1 O pz 20 -0.360480 1 O d -1 43 -0.312403 2 H d 1 57 0.312404 3 H d 1 39 0.137564 2 H pz 53 0.137567 3 H pz Vector 32 Occ=0.000000D+00 E= 3.687507D+00 MO Center= -4.0D-06, -3.4D-01, 4.6D-12, r^2= 1.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 0.826006 1 O px 32 -0.666678 2 H s 46 0.666685 3 H s 38 -0.641616 2 H py 52 0.641626 3 H py 35 0.591970 2 H py 49 -0.591977 3 H py 34 0.536388 2 H px 48 0.536390 3 H px 19 -0.398500 1 O d -2 Vector 33 Occ=0.000000D+00 E= 3.744610D+00 MO Center= 5.4D-06, -5.4D-01, 1.5D-14, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 38 -0.623015 2 H py 52 -0.623009 3 H py 35 0.613506 2 H py 49 0.613498 3 H py 44 0.448215 2 H d 2 58 0.448217 3 H d 2 34 0.354936 2 H px 48 -0.354928 3 H px 23 0.330862 1 O d 2 12 0.323221 1 O py Vector 34 Occ=0.000000D+00 E= 3.806385D+00 MO Center= -2.5D-06, -3.7D-01, -2.1D-11, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 36 0.698313 2 H pz 50 -0.698316 3 H pz 39 -0.448344 2 H pz 53 0.448348 3 H pz 43 -0.396392 2 H d 1 57 -0.396394 3 H d 1 41 0.265341 2 H d -1 55 -0.265339 3 H d -1 22 0.196141 1 O d 1 25 -0.179398 1 O f -2 Vector 35 Occ=0.000000D+00 E= 3.850456D+00 MO Center= 3.2D-06, -4.4D-01, -7.9D-12, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 39 -0.734167 2 H pz 53 -0.734164 3 H pz 36 0.696684 2 H pz 50 0.696679 3 H pz 13 0.691703 1 O pz 7 0.407787 1 O pz 41 -0.371141 2 H d -1 55 -0.371141 3 H d -1 43 -0.328357 2 H d 1 57 0.328356 3 H d 1 Vector 36 Occ=0.000000D+00 E= 3.866447D+00 MO Center= 8.3D-06, -3.5D-01, 3.2D-11, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.608773 1 O px 32 -1.468789 2 H s 46 1.468764 3 H s 37 1.119571 2 H px 51 1.119555 3 H px 38 -0.994074 2 H py 52 0.994058 3 H py 5 -0.698482 1 O px 11 0.561109 1 O px 35 0.425540 2 H py Vector 37 Occ=0.000000D+00 E= 3.937700D+00 MO Center= -8.7D-06, -1.7D-01, -2.4D-12, r^2= 1.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 3.867853 1 O s 32 -2.035630 2 H s 46 -2.035668 3 H s 9 -1.595241 1 O py 37 1.211848 2 H px 51 -1.211876 3 H px 38 -0.946727 2 H py 52 -0.946746 3 H py 6 0.899692 1 O py 12 -0.665363 1 O py Vector 38 Occ=0.000000D+00 E= 4.143339D+00 MO Center= 1.1D-06, -3.8D-01, 1.3D-12, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 22 1.021320 1 O d 1 41 0.700731 2 H d -1 55 -0.700730 3 H d -1 43 0.594088 2 H d 1 57 0.594088 3 H d 1 39 0.529193 2 H pz 53 -0.529193 3 H pz 17 -0.100596 1 O d 1 25 -0.064501 1 O f -2 36 -0.036329 2 H pz Vector 39 Occ=0.000000D+00 E= 4.179434D+00 MO Center= -8.2D-07, -1.6D-01, 2.2D-12, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 23 1.007477 1 O d 2 44 0.634047 2 H d 2 58 0.634048 3 H d 2 4 0.621293 1 O s 35 -0.491630 2 H py 49 -0.491633 3 H py 21 -0.468079 1 O d 0 2 -0.385348 1 O s 37 -0.376849 2 H px 51 0.376848 3 H px Vector 40 Occ=0.000000D+00 E= 4.390169D+00 MO Center= 1.0D-06, -4.3D-01, 4.5D-13, r^2= 1.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 44 0.578113 2 H d 2 58 -0.578111 3 H d 2 37 -0.531810 2 H px 51 -0.531816 3 H px 40 0.519475 2 H d -2 54 0.519474 3 H d -2 5 0.505055 1 O px 38 -0.482444 2 H py 52 0.482441 3 H py 11 0.397622 1 O px Vector 41 Occ=0.000000D+00 E= 4.438990D+00 MO Center= -2.0D-06, -1.7D-01, 3.0D-12, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 1.385389 1 O pz 7 -0.673463 1 O pz 20 -0.673084 1 O d -1 43 -0.618078 2 H d 1 57 0.618083 3 H d 1 41 -0.360704 2 H d -1 55 -0.360706 3 H d -1 39 -0.319162 2 H pz 53 -0.319165 3 H pz 27 0.290108 1 O f 0 Vector 42 Occ=0.000000D+00 E= 4.661035D+00 MO Center= 3.7D-06, -3.4D-01, 1.3D-12, r^2= 1.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 32 3.125606 2 H s 46 -3.125585 3 H s 8 -2.049141 1 O px 37 -1.725790 2 H px 51 -1.725783 3 H px 11 -1.374996 1 O px 19 1.168488 1 O d -2 38 0.918197 2 H py 52 -0.918182 3 H py 42 -0.740607 2 H d 0 Vector 43 Occ=0.000000D+00 E= 4.897347D+00 MO Center= -5.7D-06, -2.8D-01, 2.3D-13, r^2= 8.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 2.925269 1 O s 32 -2.031339 2 H s 46 -2.031384 3 H s 2 1.023739 1 O s 23 0.830526 1 O d 2 38 -0.787491 2 H py 52 -0.787505 3 H py 37 0.775622 2 H px 51 -0.775643 3 H px 40 0.752566 2 H d -2 Vector 44 Occ=0.000000D+00 E= 4.991645D+00 MO Center= -1.1D-07, -3.8D-02, -1.1D-12, r^2= 8.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 3.879708 1 O s 32 -2.376929 2 H s 46 -2.376934 3 H s 9 -2.268755 1 O py 12 -1.068096 1 O py 37 0.955242 2 H px 51 -0.955240 3 H px 21 -0.674666 1 O d 0 34 0.635297 2 H px 48 -0.635302 3 H px Vector 45 Occ=0.000000D+00 E= 5.246698D+00 MO Center= 4.8D-07, -1.0D-02, 4.5D-13, r^2= 7.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 2.574435 1 O px 32 -2.199482 2 H s 46 2.199473 3 H s 19 -1.246876 1 O d -2 11 1.008266 1 O px 38 -0.807579 2 H py 52 0.807574 3 H py 37 0.760070 2 H px 51 0.760066 3 H px 5 -0.698078 1 O px Vector 46 Occ=0.000000D+00 E= 5.760504D+00 MO Center= -2.6D-07, 1.7D-02, 1.3D-13, r^2= 5.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 29 0.996688 1 O f 2 43 0.263436 2 H d 1 57 -0.263436 3 H d 1 27 0.247385 1 O f 0 41 -0.213772 2 H d -1 55 -0.213774 3 H d -1 15 0.164702 1 O d -1 10 -0.120957 1 O pz 20 0.102085 1 O d -1 36 0.058804 2 H pz Vector 47 Occ=0.000000D+00 E= 6.260172D+00 MO Center= -1.0D-07, -1.4D-01, -2.8D-12, r^2= 6.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 26 0.879071 1 O f -1 9 -0.772443 1 O py 23 -0.743553 1 O d 2 2 -0.646549 1 O s 32 0.596196 2 H s 46 0.596210 3 H s 34 0.545213 2 H px 48 -0.545212 3 H px 4 -0.498575 1 O s 38 0.491089 2 H py Vector 48 Occ=0.000000D+00 E= 6.560492D+00 MO Center= 3.7D-05, 4.7D-02, 6.8D-13, r^2= 4.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 15 1.005575 1 O d -1 10 -0.505027 1 O pz 27 0.471754 1 O f 0 29 -0.302216 1 O f 2 41 0.295200 2 H d -1 55 0.295173 3 H d -1 20 -0.281688 1 O d -1 36 0.240631 2 H pz 50 0.240594 3 H pz 43 0.222021 2 H d 1 Vector 49 Occ=0.000000D+00 E= 6.568458D+00 MO Center= -3.3D-05, 6.2D-02, -9.1D-12, r^2= 3.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 17 1.155729 1 O d 1 22 -0.520767 1 O d 1 25 0.214630 1 O f -2 43 0.176494 2 H d 1 57 0.176556 3 H d 1 39 -0.115863 2 H pz 53 0.115879 3 H pz 36 0.104433 2 H pz 50 -0.104504 3 H pz 41 0.072987 2 H d -1 Vector 50 Occ=0.000000D+00 E= 6.653007D+00 MO Center= 7.1D-06, -1.6D-02, -1.7D-12, r^2= 4.8D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 18 0.986969 1 O d 2 2 -0.701953 1 O s 24 -0.576741 1 O f -3 1 -0.534645 1 O s 3 0.404837 1 O s 23 -0.361766 1 O d 2 31 -0.326700 2 H s 45 -0.326676 3 H s 38 0.312690 2 H py 52 0.312709 3 H py Vector 51 Occ=0.000000D+00 E= 6.691286D+00 MO Center= -1.9D-06, 8.0D-02, 1.4D-12, r^2= 6.3D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 1.071096 1 O d -1 27 1.021516 1 O f 0 10 -0.915777 1 O pz 15 -0.615242 1 O d -1 43 0.533444 2 H d 1 57 -0.533444 3 H d 1 39 0.424617 2 H pz 53 0.424613 3 H pz 36 0.388925 2 H pz 50 0.388925 3 H pz Vector 52 Occ=0.000000D+00 E= 6.720484D+00 MO Center= -7.2D-06, 2.6D-02, 6.8D-12, r^2= 7.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 1.693937 1 O px 19 -0.836013 1 O d -2 28 0.798249 1 O f 1 32 -0.765825 2 H s 46 0.765819 3 H s 30 -0.746629 1 O f 3 11 0.615563 1 O px 5 -0.604906 1 O px 31 -0.562871 2 H s 45 0.562886 3 H s Vector 53 Occ=0.000000D+00 E= 6.827483D+00 MO Center= -4.6D-07, 1.3D-01, -2.3D-13, r^2= 5.1D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.271314 1 O s 23 -1.012386 1 O d 2 32 -0.935297 2 H s 46 -0.935295 3 H s 16 0.891582 1 O d 0 12 -0.767417 1 O py 9 -0.652774 1 O py 21 -0.638341 1 O d 0 24 0.606046 1 O f -3 37 0.492257 2 H px Vector 54 Occ=0.000000D+00 E= 6.929802D+00 MO Center= -1.9D-06, 4.3D-02, 8.6D-13, r^2= 6.9D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 1.266907 1 O f -2 22 1.131772 1 O d 1 43 0.526199 2 H d 1 57 0.526207 3 H d 1 36 0.489290 2 H pz 50 -0.489298 3 H pz 41 0.450071 2 H d -1 55 -0.450076 3 H d -1 39 0.345707 2 H pz 53 -0.345712 3 H pz Vector 55 Occ=0.000000D+00 E= 7.110935D+00 MO Center= -2.5D-10, 1.0D-01, -2.3D-13, r^2= 6.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.123332 1 O s 23 0.998748 1 O d 2 24 -0.862201 1 O f -3 21 -0.746166 1 O d 0 16 0.735269 1 O d 0 2 -0.647731 1 O s 18 -0.528534 1 O d 2 31 -0.506392 2 H s 45 -0.506393 3 H s 44 0.349343 2 H d 2 Vector 56 Occ=0.000000D+00 E= 7.449390D+00 MO Center= -4.7D-07, 1.0D-01, 9.8D-13, r^2= 6.5D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.660944 1 O d -2 30 -1.068118 1 O f 3 8 -0.940431 1 O px 31 0.847725 2 H s 45 -0.847731 3 H s 11 -0.682813 1 O px 32 0.684300 2 H s 46 -0.684295 3 H s 14 -0.675369 1 O d -2 34 -0.599147 2 H px Vector 57 Occ=0.000000D+00 E= 7.899202D+00 MO Center= 2.9D-07, -1.3D-01, -1.1D-12, r^2= 6.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 8 2.751830 1 O px 32 -2.173436 2 H s 46 2.173434 3 H s 14 -1.056483 1 O d -2 19 -0.918035 1 O d -2 37 0.920368 2 H px 51 0.920367 3 H px 34 0.882958 2 H px 48 0.882961 3 H px 38 -0.619941 2 H py Vector 58 Occ=0.000000D+00 E= 1.226570D+01 MO Center= -7.7D-07, -1.4D-01, 1.6D-12, r^2= 8.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 5.795335 1 O s 1 3.728747 1 O s 4 3.536260 1 O s 32 -3.542889 2 H s 46 -3.542912 3 H s 9 -2.660932 1 O py 3 -2.635354 1 O s 37 1.373911 2 H px 51 -1.373920 3 H px 38 -1.169677 2 H py [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT center of mass -------------- x = 0.00000000 y = 0.09911481 z = 0.00000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) ------------------ 2.266428026031 0.000005469268 0.000000000000 0.000005469268 4.155714155453 0.000000000000 0.000000000000 0.000000000000 6.422142181484 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Multipole analysis of the density --------------------------------- L x y z total alpha beta nuclear - - - - ----- ----- ---- ------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0 0 0 0 -0.000000 -5.000000 -5.000000 10.000000 1 1 0 0 -0.000000 -0.000000 -0.000000 0.000000 1 0 1 0 -0.803751 -0.401876 -0.401876 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 0 0 1 0.000000 0.000000 0.000000 0.000000 2 2 0 0 -3.369687 -3.746568 -3.746568 4.123448 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 1 1 0 -0.000002 0.000002 0.000002 -0.000005 2 1 0 1 -0.000000 -0.000000 -0.000000 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 0 2 0 -4.738954 -3.382367 -3.382367 2.025780 2 0 1 1 0.000000 0.000000 0.000000 0.000000 2 0 0 2 -5.663806 -2.831903 -2.831903 0.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: setting std/high accuracies to 1.0D-15 1.0D-30 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: setting std/high accuracies to 1.0D-15 1.0D-30 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem TDDFT Module ------------------- General Information ------------------- No. of orbitals : 116 Alpha orbitals : 58 Beta orbitals : 58 Alpha frozen cores : 0 Beta frozen cores : 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Alpha frozen virtuals : 0 Beta frozen virtuals : 0 Spin multiplicity : 1 Number of AO functions : 58 Use of symmetry is : off Symmetry adaption is : off Schwarz screening : 0.10D-07 XC Information -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Hartree-Fock (Exact) Exchange 1.00 LC-BNL 2007 Exchange Functional 0.90 local Lee-Yang-Parr Correlation Functional 1.00 Alpha : 0.00 Beta : 1.00 Gamma : 0.50 TDDFT Information ----------------- Calculation type : TDDFT Wavefunction type : Restricted singlets No. of electrons : 10 Alpha electrons : 5 Beta electrons : 5 No. of roots : 5 Max subspacesize : 5000 Max iterations : 100 Target root : 1 Target symmetry : none Symmetry restriction : off Algorithm : Disk-based multiple tensor contraction Davidson threshold : 0.10D-03 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Memory Information ------------------ Available GA space size is 104854236 doubles Available MA space size is 18872996 doubles Length of a trial vector is 265 Estimated peak GA usage is 151196 doubles Estimated peak MA usage is 1268000 doubles Estimated peak DRA usage is 5300000 doubles [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] 5 smallest eigenvalue differences (eV) -------------------------------------------------------- No. Spin Occ Vir Irrep E(Occ) E(Vir) E(Diff) -------------------------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 1 5 6 a -0.440 0.111 14.987 2 1 5 7 a -0.440 0.175 16.751 3 1 4 6 a -0.513 0.111 16.965 4 1 4 7 a -0.513 0.175 18.728 5 1 3 6 a -0.652 0.111 20.745 -------------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Entering Davidson iterations Restricted singlet excited states Iter NTrls NConv DeltaV DeltaE Time ---- ------ ------ --------- --------- --------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 5 0 0.20E+00 0.10+100 89.7 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 15 0 0.65E-01 0.11E-01 169.9 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 3 25 0 0.99E-02 0.84E-03 167.9 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 35 0 0.17E-02 0.32E-04 161.4 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 5 45 4 0.39E-03 0.11E-05 157.5 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_EXIT_STATUS =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = PID 697863 RUNNING AT builder1.x64.stream.opencloudos.tech = EXIT CODE: 15 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES =================================================================================== YOUR APPLICATION TERMINATED WITH THE EXIT STRING: Terminated (signal 15) This typically refers to a problem with your application. Please see the FAQ page for debugging suggestions ################################################################################ total 1748 drwxr-xr-x. 2 mockbuild mock 4096 Jul 23 10:27 . drwxr-xr-x. 19 mockbuild mock 4096 Jul 23 10:44 .. -rw-r--r--. 1 mockbuild mock 0 Jul 23 10:24 libxc-h2o-camb3lyp-pol.err -rw-r--r--. 1 mockbuild mock 84922 Jul 23 10:24 libxc-h2o-camb3lyp-pol.ok.out -rw-r--r--. 1 mockbuild mock 315 Jul 23 10:26 libxc-h2o-camb3lyp-pol.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 107906 Jul 23 10:26 libxc-h2o-camb3lyp-pol.out -rw-r--r--. 1 mockbuild mock 292 Jul 23 10:26 libxc-h2o-camb3lyp-pol.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 10:14 libxc_he2+.err -rw-r--r--. 1 mockbuild mock 223258 Jul 23 10:14 libxc_he2+.ok.out -rw-r--r--. 1 mockbuild mock 2522 Jul 23 10:14 libxc_he2+.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 245967 Jul 23 10:14 libxc_he2+.out -rw-r--r--. 1 mockbuild mock 2522 Jul 23 10:14 libxc_he2+.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 10:26 libxc_he2p_wb97.err -rw-r--r--. 1 mockbuild mock 109246 Jul 23 10:26 libxc_he2p_wb97.ok.out -rw-r--r--. 1 mockbuild mock 1569 Jul 23 10:27 libxc_he2p_wb97.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 133082 Jul 23 10:27 libxc_he2p_wb97.out -rw-r--r--. 1 mockbuild mock 1569 Jul 23 10:27 libxc_he2p_wb97.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 10:14 libxc_li2freq.err -rw-r--r--. 1 mockbuild mock 288034 Jul 23 10:14 libxc_li2freq.ok.out -rw-r--r--. 1 mockbuild mock 1972 Jul 23 10:24 libxc_li2freq.ok.out.nwparse -rw-r--r--. 1 mockbuild mock 306700 Jul 23 10:24 libxc_li2freq.out -rw-r--r--. 1 mockbuild mock 1972 Jul 23 10:24 libxc_li2freq.out.nwparse -rw-r--r--. 1 mockbuild mock 0 Jul 23 10:27 libxc_ne2p_wb97x.err -rw-r--r--. 1 mockbuild mock 101711 Jul 23 10:27 libxc_ne2p_wb97x.ok.out -rw-r--r--. 1 mockbuild mock 127914 Jul 23 10:44 libxc_ne2p_wb97x.out ################################################################################ ../testoutputs.dolibxctests.mpi.2_mpich.log/libxc-h2o-camb3lyp-pol.out ################################################################################ host: builder1.x64.stream.opencloudos.tech [mpiexec@builder1.x64.stream.opencloudos.tech] Timeout set to -1 (-1 means infinite) ================================================================================================== mpiexec options: ---------------- Base path: /usr/lib64/mpich/bin/ Launcher: (null) Debug level: 1 Enable X: -1 Global environment: ------------------- NWCHEM_TARGET=LINUX64 SHELL=/bin/bash RPM_SOURCE_DIR=/builddir/build/SOURCES HISTCONTROL=ignoredups MPI_LIB=/usr/lib64/mpich/lib OMPI_MCA_rmaps_base_oversubscribe=1 PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig HOSTNAME=builder1.x64.stream.opencloudos.tech HISTSIZE=1000 _ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo= __LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1 OMPI_MCA_btl=^uct HYDRA_DEBUG=0 LMOD_DIR=/usr/share/lmod/lmod/libexec FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir LOGNAME=mockbuild MODULESHOME=/usr/share/lmod/lmod MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man MPI_COMPILER=mpich-x86_64 MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich CXX=g++ CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection MPI_INCLUDE=/usr/include/mpich-x86_64 RPM_ARCH=x86_64 MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich MPI_HOME=/usr/lib64/mpich __LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1 LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 HOME=/builddir _ModuleTable_Sz_=2 LANG=C __LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1 RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 LMOD_SETTARG_FULL_SUPPORT=no PROMPT_COMMAND=printf "\033]0;\007" RPM_PACKAGE_RELEASE=1.ocs23 LMOD_VERSION=8.7.31 MPI_SYSCONFIG=/etc/mpich-x86_64 RPM_OS=linux NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/ USE_LIBXC=True MODULEPATH_ROOT=/usr/share/modulefiles LT_SYS_LIBRARY_PATH=/usr/lib64: MALLOC_PERTURB_=62 MPI_SUFFIX=_mpich FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules LMOD_PKG=/usr/share/lmod/lmod TERM=vt100 FLEXIBLAS=openblas-openmp LESSOPEN=||/usr/bin/lesspipe.sh %s USER=mockbuild TIMEOUT_OPTS=--preserve-status --kill-after 10 1800 NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/ MPI_PYTHON_SITEARCH=@py2sitearch@/mpich LOADEDMODULES=mpi/mpich-x86_64 LMOD_ROOT=/usr/share/lmod SHLVL=3 RPM_BUILD_DIR=/builddir/build/BUILD BASH_ENV=/usr/share/lmod/lmod/init/bash LMOD_sys=Linux MPI_BIN=/usr/lib64/mpich/bin RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection __LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1 NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich RPM_DOC_DIR=/usr/share/doc _ModuleTable001_=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 LD_LIBRARY_PATH=/usr/lib64/mpich/lib MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec OMPI_MCA_btl_base_warn_component_unused=0 RPM_PACKAGE_VERSION=7.2.2 MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich MPI_MAN=/usr/share/man/mpich-x86_64 which_declare=declare -f MPIRUN_NPOPT=-verbose -np CONFIG_SITE=NONE PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core CC=gcc _LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64 CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod MAIL=/var/spool/mail/mockbuild __LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1 RPM_BUILD_NCPUS=32 RPM_PACKAGE_NAME=nwchem NPROC=2 RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" } BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ } BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status } _=/usr/lib64/mpich/bin/mpiexec Hydra internal environment: --------------------------- GFORTRAN_UNBUFFERED_PRECONNECTED=y Proxy information: ********************* [1] proxy: builder1.x64.stream.opencloudos.tech (1 cores) Exec list: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich (2 processes); ================================================================================================== [mpiexec@builder1.x64.stream.opencloudos.tech] Got a control port string of builder1.x64.stream.opencloudos.tech:45857 Proxy launch args: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:45857 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id Arguments being passed to proxy 0: --version 4.1.1 --iface-ip-env-name MPIR_CVAR_CH3_INTERFACE_HOSTNAME --hostname builder1.x64.stream.opencloudos.tech --global-core-map 0,1,1 --pmi-id-map 0,0 --global-process-count 2 --auto-cleanup 1 --pmi-kvsname kvs_719610_0_1101109141_builder1.x64.stream.opencloudos.tech --pmi-process-mapping (vector,(0,1,2)) --global-inherited-env 93 'NWCHEM_TARGET=LINUX64' 'SHELL=/bin/bash' 'RPM_SOURCE_DIR=/builddir/build/SOURCES' 'HISTCONTROL=ignoredups' 'MPI_LIB=/usr/lib64/mpich/lib' 'OMPI_MCA_rmaps_base_oversubscribe=1' 'PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig' 'HOSTNAME=builder1.x64.stream.opencloudos.tech' 'HISTSIZE=1000' '_ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo=' '__LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1' 'OMPI_MCA_btl=^uct' 'HYDRA_DEBUG=0' 'LMOD_DIR=/usr/share/lmod/lmod/libexec' 'FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir' 'LOGNAME=mockbuild' 'MODULESHOME=/usr/share/lmod/lmod' 'MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man' 'MPI_COMPILER=mpich-x86_64' 'MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich' 'CXX=g++' 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'MPI_INCLUDE=/usr/include/mpich-x86_64' 'RPM_ARCH=x86_64' 'MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich' 'MPI_HOME=/usr/lib64/mpich' '__LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' 'LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'HOME=/builddir' '_ModuleTable_Sz_=2' 'LANG=C' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' 'RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'LMOD_SETTARG_FULL_SUPPORT=no' 'PROMPT_COMMAND=printf "\033]0;\007"' 'RPM_PACKAGE_RELEASE=1.ocs23' 'LMOD_VERSION=8.7.31' 'MPI_SYSCONFIG=/etc/mpich-x86_64' 'RPM_OS=linux' 'NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/' 'USE_LIBXC=True' 'MODULEPATH_ROOT=/usr/share/modulefiles' 'LT_SYS_LIBRARY_PATH=/usr/lib64:' 'MALLOC_PERTURB_=62' 'MPI_SUFFIX=_mpich' 'FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'LMOD_PKG=/usr/share/lmod/lmod' 'TERM=vt100' 'FLEXIBLAS=openblas-openmp' 'LESSOPEN=||/usr/bin/lesspipe.sh %s' 'USER=mockbuild' 'TIMEOUT_OPTS=--preserve-status --kill-after 10 1800' 'NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/' 'MPI_PYTHON_SITEARCH=@py2sitearch@/mpich' 'LOADEDMODULES=mpi/mpich-x86_64' 'LMOD_ROOT=/usr/share/lmod' 'SHLVL=3' 'RPM_BUILD_DIR=/builddir/build/BUILD' 'BASH_ENV=/usr/share/lmod/lmod/init/bash' 'LMOD_sys=Linux' 'MPI_BIN=/usr/lib64/mpich/bin' 'RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' '__LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1' 'NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich' 'RPM_DOC_DIR=/usr/share/doc' '_ModuleTable001_=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' 'LD_LIBRARY_PATH=/usr/lib64/mpich/lib' 'MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec' 'OMPI_MCA_btl_base_warn_component_unused=0' 'RPM_PACKAGE_VERSION=7.2.2' 'MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich' 'MPI_MAN=/usr/share/man/mpich-x86_64' 'which_declare=declare -f' 'MPIRUN_NPOPT=-verbose -np' 'CONFIG_SITE=NONE' 'PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core' 'CC=gcc' '_LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64' 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod' 'MAIL=/var/spool/mail/mockbuild' '__LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1' 'RPM_BUILD_NCPUS=32' 'RPM_PACKAGE_NAME=nwchem' 'NPROC=2' 'RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64' 'OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA' 'BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" }' 'BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ }' 'BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status }' '_=/usr/lib64/mpich/bin/mpiexec' --global-user-env 0 --global-system-env 1 'GFORTRAN_UNBUFFERED_PRECONNECTED=y' --proxy-core-count 1 --exec --exec-appnum 0 --exec-proc-count 2 --exec-local-env 0 --exec-wdir /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir --exec-args 2 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/libxc-h2o-camb3lyp-pol/libxc-h2o-camb3lyp-pol.nw [mpiexec@builder1.x64.stream.opencloudos.tech] Launch arguments: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:45857 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id 0 cmd=init pmi_version=1 pmi_subversion=1 cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 cmd=get_maxes cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 cmd=get_appnum cmd=appnum rc=0 appnum=0 cmd=init pmi_version=1 pmi_subversion=1 cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 cmd=get_my_kvsname cmd=my_kvsname rc=0 kvsname=kvs_719610_0_1101109141_builder1.x64.stream.opencloudos.tech cmd=get kvsname=kvs_719610_0_1101109141_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE cmd=get_maxes cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 cmd=get_appnum cmd=appnum rc=0 appnum=0 cmd=get kvsname=kvs_719610_0_1101109141_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_HZ75Ig found=TRUE cmd=get_my_kvsname cmd=my_kvsname rc=0 kvsname=kvs_719610_0_1101109141_builder1.x64.stream.opencloudos.tech cmd=get kvsname=kvs_719610_0_1101109141_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE cmd=get kvsname=kvs_719610_0_1101109141_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_HZ75Ig found=TRUE cmd=put kvsname=kvs_719610_0_1101109141_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 value=2F6465762F73686D2F6D706963685F736861725F746D7032453769364700 cmd=put_result rc=0 cmd=barrier_in cmd=barrier_in cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D7032453769364700 cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D7032453769364700 [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D7032453769364700 cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D7032453769364700 [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out cmd=barrier_out cmd=barrier_out cmd=get kvsname=kvs_719610_0_1101109141_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 cmd=get_result rc=0 value=2F6465762F73686D2F6D706963685F736861725F746D7032453769364700 found=TRUE cmd=put kvsname=kvs_719610_0_1101109141_builder1.x64.stream.opencloudos.tech key=P0-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#53429$ifname#172.16.0.28$ cmd=put_result rc=0 cmd=put kvsname=kvs_719610_0_1101109141_builder1.x64.stream.opencloudos.tech key=P1-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#53293$ifname#172.16.0.28$ cmd=put_result rc=0 cmd=barrier_in cmd=barrier_in cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53429$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53293$ifname#172.16.0.28$ cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53429$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53293$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53429$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53293$ifname#172.16.0.28$ cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53429$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#53293$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out cmd=barrier_out cmd=barrier_out cmd=barrier_in cmd=barrier_in cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out cmd=barrier_out cmd=barrier_out argument 1 = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/libxc-h2o-camb3lyp-pol/libxc-h2o-camb3lyp-pol.nw ============================== echo of input deck ============================== echo start libxc-h2o-camb3lyp-pol geometry units angstrom O 0.00000000 0.00000000 0.11726921 H 0.75698224 0.00000000 -0.46907685 H -0.75698224 0.00000000 -0.46907685 end basis spherical * library aug-cc-pvdz end #set int:cando_txs f dft xc hyb_gga_xc_cam_b3lyp direct iterations 100 end task dft energy property center com dipole aoresponse 1 0.0 end task dft property ================================================================================ Northwest Computational Chemistry Package (NWChem) 7.2.2 -------------------------------------------------------- Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352 Copyright (c) 1994-2022 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the Educational Community License (ECL) 2.0 A copy of the license is included with this distribution in the LICENSE.TXT file ACKNOWLEDGMENT -------------- This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic Energy Sciences, and the Office of Advanced Scientific Computing. Job information --------------- hostname = builder1.x64.stream.opencloudos.tech program = nwchem_binary_mpich date = Tue Jul 23 10:24:56 2024 compiled = Tue_Jul_23_08:39:25_2024 source = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 nwchem branch = 7.2.2 nwchem revision = N/A ga revision = 5.8.0 use scalapack = T input = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/libxc-h2o-camb3lyp-pol/libxc-h2o-camb3lyp-pol.nw prefix = libxc-h2o-camb3lyp-pol. data base = ./libxc-h2o-camb3lyp-pol.db status = startup nproc = 2 time left = -1s Memory information ------------------ heap = 26214398 doubles = 200.0 Mbytes stack = 26214395 doubles = 200.0 Mbytes global = 52428800 doubles = 400.0 Mbytes (distinct from heap & stack) total = 104857593 doubles = 800.0 Mbytes verify = yes hardfail = no Directory information --------------------- 0 permanent = . 0 scratch = . NWChem Input Module ------------------- Scaling coordinates for geometry "geometry" by 1.889725989 (inverse scale = 0.529177249) C2V symmetry detected ------ auto-z ------ no constraints, skipping 0.0000000000000000 no constraints, skipping 0.0000000000000000 Geometry "geometry" -> "" ------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 O 8.0000 0.00000000 0.00000000 0.11726921 2 H 1.0000 0.75698224 0.00000000 -0.46907685 3 H 1.0000 -0.75698224 0.00000000 -0.46907685 Atomic Mass ----------- O 15.994910 H 1.007825 Effective nuclear repulsion energy (a.u.) 9.1920946687 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 Symmetry information -------------------- Group name C2v Group number 16 Group order 4 No. of unique centers 2 Symmetry unique atoms 1 2 Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Type Name I J K L M Value 1 Stretch 1 2 0.95751 Sending upstream hdr.cmd = CMD_STDOUT 2 Stretch 1 3 0.95751 3 Bend 2 1 3 104.47845 XYZ format geometry ------------------- 3 geometry O 0.00000000 0.00000000 0.11726921 H 0.75698224 0.00000000 -0.46907685 H -0.75698224 0.00000000 -0.46907685 ============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 H | 1 O | 1.80943 | 0.95751 3 H | 1 O | 1.80943 | 0.95751 ------------------------------------------------------------------------------ number of included internuclear distances: 2 ============================================================================== ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 H | 1 O | 3 H | 104.48 ------------------------------------------------------------------------------ number of included internuclear angles: 1 ============================================================================== library name resolved from: environment library file name is: Summary of "ao basis" -> "" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- * aug-cc-pvdz on all atoms NWChem DFT Module ----------------- Basis "ao basis" -> "ao basis" (spherical) ----- O (Oxygen) ---------- Exponent Coefficients -------------- --------------------------------------------------------- 1 S 1.17200000E+04 0.000710 1 S 1.75900000E+03 0.005470 1 S 4.00800000E+02 0.027837 1 S 1.13700000E+02 0.104800 1 S 3.70300000E+01 0.283062 1 S 1.32700000E+01 0.448719 1 S 5.02500000E+00 0.270952 2 S 1.17200000E+04 -0.000160 Sending upstream hdr.cmd = CMD_STDOUT 2 S 1.75900000E+03 -0.001263 2 S 4.00800000E+02 -0.006267 2 S 1.13700000E+02 -0.025716 2 S 3.70300000E+01 -0.070924 2 S 1.32700000E+01 -0.165411 2 S 5.02500000E+00 -0.116955 2 S 1.01300000E+00 0.557368 3 S 3.02300000E-01 1.000000 4 S 7.89600000E-02 1.000000 5 P 1.77000000E+01 0.043018 5 P 3.85400000E+00 0.228913 5 P 1.04600000E+00 0.508728 6 P 2.75300000E-01 1.000000 7 P 6.85600000E-02 1.000000 9 D 3.32000000E-01 1.000000 Sending upstream hdr.cmd = CMD_STDOUT ------------ Exponent Coefficients Sending upstream hdr.cmd = CMD_STDOUT -------------- --------------------------------------------------------- 1 S 1.30100000E+01 0.019685 1 S 1.96200000E+00 0.137977 1 S 4.44600000E-01 0.478148 2 S 1.22000000E-01 1.000000 3 S 2.97400000E-02 1.000000 4 P 7.27000000E-01 1.000000 5 P 1.41000000E-01 1.000000 Summary of "ao basis" -> "ao basis" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O aug-cc-pvdz 9 23 4s3p2d H aug-cc-pvdz 5 9 3s2p Summary of "ao basis" -> "ao basis" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O aug-cc-pvdz 9 23 4s3p2d H aug-cc-pvdz 5 9 3s2p Symmetry analysis of basis -------------------------- a1 18 a2 4 b1 12 b2 7 int_init: cando_txs set to always be F Caching 1-el integrals General Information ------------------- SCF calculation type: DFT Wavefunction type: closed shell. No. of atoms : 3 No. of electrons : 10 Alpha electrons : 5 Beta electrons : 5 Charge : 0 Spin multiplicity: 1 Use of symmetry is: on ; symmetry adaption is: on Maximum number of iterations: 100 This is a Direct SCF calculation. AO basis - number of functions: 41 number of shells: 19 Convergence on energy requested: 1.00D-06 Convergence on gradient requested: 5.00D-04 Sending upstream hdr.cmd = CMD_STDOUT XC Information -------------- Using LibXC version 6.2.2 Hartree-Fock (Exact) Exchange 1.000 hyb_gga_xc_cam_b3lyp 1.000 Range-Separation Parameters --------------------------- Alpha : 0.19 Beta : 0.46 Gamma : 0.33 Short-Range HF : F Grid Information ---------------- Grid used for XC integration: medium Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- O 0.60 49 9.0 434 H 0.35 45 11.0 434 Grid pruning is: on Number of quadrature shells: 94 Spatial weights used: Erf1 Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 using up to (NFOCK): 10 stored Fock matrices. Sending upstream hdr.cmd = CMD_STDOUT Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 100 iters 100 iters Screening Tolerance Information ------------------------------- Density screening/tol_rho: 1.00D-10 AO Gaussian exp screening on grid/accAOfunc: 14 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 Superposition of Atomic Density Guess ------------------------------------- Sum of atomic energies: -75.76548395 Non-variational initial energy ------------------------------ Total energy = -75.929554 1-e energy = -121.647436 2-e energy = 36.525787 HOMO = -0.482989 LUMO = 0.012026 Symmetry analysis of molecular orbitals - initial ------------------------------------------------- Numbering of irreducible representations: 1 a1 2 a2 3 b1 4 b2 Orbital symmetries: 1 a1 2 a1 3 b1 4 a1 5 b2 6 a1 7 b1 8 a1 9 b2 10 a1 11 b1 12 b1 13 a1 14 a2 15 a1 WARNING: movecs_in_org=atomic not equal to movecs_in=./libxc-h2o-camb3lyp-pol.movecs Time after variat. SCF: 0.4 Time prior to 1st pass: 0.4 Grid_pts file = ./libxc-h2o-camb3lyp-pol.gridpts.0 Record size in doubles = 12289 No. of grid_pts per rec = 3070 Max. records in memory = 9 Max. recs in file = 506625431 Memory utilization after 1st SCF pass: Heap Space remaining (MW): 0.00 18 Stack Space remaining (MW): 26.21 26214036 convergence iter energy DeltaE RMS-Dens Diis-err time ---------------- ----- ----------------- --------- --------- --------- ------ d= 0,ls=0.0,diis 1 -76.3784625419 -8.56D+01 1.55D-02 3.56D-01 1.1 d= 0,ls=0.0,diis 2 -76.3797246803 -1.26D-03 5.94D-03 4.12D-01 1.9 d= 0,ls=0.0,diis 3 -76.4157473024 -3.60D-02 7.56D-04 5.59D-03 2.6 d= 0,ls=0.0,diis 4 -76.4162620157 -5.15D-04 1.33D-04 8.45D-05 3.4 d= 0,ls=0.0,diis 5 -76.4162711751 -9.16D-06 3.25D-05 9.61D-07 4.2 d= 0,ls=0.0,diis 6 -76.4162714189 -2.44D-07 4.27D-06 9.15D-09 4.8 Total DFT energy = -76.416271418903 One electron energy = -122.945024818034 Coulomb energy = 46.631904261404 Nuclear repulsion energy = 9.192094668657 Numeric. integr. density = 9.999999202678 Total iterative time = 4.4s Sending upstream hdr.cmd = CMD_STDOUT Occupations of the irreducible representations Sending upstream hdr.cmd = CMD_STDOUT ---------------------------------------------- irrep alpha beta -------- -------- -------- a1 3.0 3.0 a2 0.0 0.0 b1 1.0 1.0 b2 1.0 1.0 DFT Final Molecular Orbital Analysis ------------------------------------ Sending upstream hdr.cmd = CMD_STDOUT Vector 1 Occ=2.000000D+00 E=-1.923253D+01 Symmetry=a1 MO Center= -4.6D-18, 2.7D-22, 1.2D-01, r^2= 1.5D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1 1.004442 1 O s Vector 2 Occ=2.000000D+00 E=-1.103974D+00 Symmetry=a1 MO Center= 1.4D-16, -4.3D-16, -8.0D-02, r^2= 5.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.447603 1 O s 3 0.344781 1 O s 24 0.216693 2 H s 33 0.216693 3 H s 7 -0.110366 1 O pz 4 0.058715 1 O s 27 -0.036809 2 H px 36 0.036809 3 H px Vector 3 Occ=2.000000D+00 E=-6.096250D-01 Symmetry=b1 MO Center= -2.0D-16, 1.8D-31, -9.3D-02, r^2= 7.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.517739 1 O px 24 0.361347 2 H s 33 -0.361347 3 H s 8 0.143761 1 O px 25 0.143430 2 H s 34 -0.143430 3 H s 22 -0.043686 1 O d 1 29 0.031542 2 H pz 38 -0.031542 3 H pz 17 0.026577 1 O d 1 Vector 4 Occ=2.000000D+00 E=-4.682979D-01 Symmetry=a1 MO Center= -4.8D-16, -5.9D-16, 1.8D-01, r^2= 7.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 0.554772 1 O pz 3 0.329946 1 O s 10 0.293455 1 O pz 24 -0.207011 2 H s 33 -0.207011 3 H s 2 0.164672 1 O s 4 0.118299 1 O s 25 -0.074988 2 H s 34 -0.074988 3 H s 13 0.047161 1 O pz Vector 5 Occ=2.000000D+00 E=-3.922863D-01 Symmetry=b2 MO Center= -1.8D-16, 4.6D-16, 7.2D-02, r^2= 7.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.634248 1 O py 9 0.416385 1 O py 12 0.089327 1 O py 31 0.029145 2 H py 40 0.029145 3 H py 28 0.027306 2 H py 37 0.027306 3 H py Vector 6 Occ=0.000000D+00 E= 3.093891D-03 Symmetry=a1 MO Center= 8.0D-15, 1.6D-15, -7.7D-01, r^2= 8.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.886580 1 O s 26 -0.667668 2 H s 35 -0.667668 3 H s 25 -0.335715 2 H s 34 -0.335715 3 H s 3 0.244945 1 O s 10 -0.131107 1 O pz 7 -0.111847 1 O pz 2 0.100588 1 O s 13 -0.093683 1 O pz Vector 7 Occ=0.000000D+00 E= 4.022307D-02 Symmetry=b1 MO Center= -7.8D-15, -2.8D-31, -7.7D-01, r^2= 1.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 26 2.698136 2 H s 35 -2.698136 3 H s 11 -0.651673 1 O px 25 0.471646 2 H s 34 -0.471646 3 H s 8 -0.151982 1 O px 5 -0.118694 1 O px 32 0.076003 2 H pz 41 -0.076003 3 H pz 30 -0.041854 2 H px Vector 8 Occ=0.000000D+00 E= 1.289031D-01 Symmetry=a1 MO Center= 1.5D-16, 3.5D-18, 2.2D-01, r^2= 9.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 3.837474 1 O s 13 -1.590945 1 O pz 25 -1.411143 2 H s 34 -1.411143 3 H s 26 -0.780139 2 H s 35 -0.780139 3 H s 30 0.331981 2 H px 39 -0.331981 3 H px 3 0.264767 1 O s 7 0.235903 1 O pz Vector 9 Occ=0.000000D+00 E= 1.512374D-01 Symmetry=b2 MO Center= -4.6D-15, -2.4D-15, 3.2D-01, r^2= 6.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.357364 1 O py 9 -0.258861 1 O py 6 -0.224356 1 O py 31 -0.213735 2 H py 40 -0.213735 3 H py 20 -0.044930 1 O d -1 Vector 10 Occ=0.000000D+00 E= 1.645274D-01 Symmetry=a1 MO Center= -7.2D-17, 1.1D-16, -8.0D-02, r^2= 7.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.642920 1 O s 13 0.862924 1 O pz 26 -0.591215 2 H s 35 -0.591215 3 H s 32 -0.345120 2 H pz 41 -0.345120 3 H pz 30 0.324963 2 H px 39 -0.324963 3 H px 2 -0.186487 1 O s 3 -0.181550 1 O s Vector 11 Occ=0.000000D+00 E= 1.850838D-01 Symmetry=b1 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- Sending upstream hdr.cmd = CMD_STDOUT 26 2.808746 2 H s 35 -2.808746 3 H s 11 -2.394642 1 O px 25 1.738146 2 H s 34 -1.738146 3 H s 30 -0.594641 2 H px 39 -0.594641 3 H px 32 0.567444 2 H pz 41 -0.567444 3 H pz 5 0.294639 1 O px Vector 12 Occ=0.000000D+00 E= 2.146403D-01 Symmetry=b1 MO Center= 2.0D-15, -2.0D-16, 2.1D-01, r^2= 4.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 1.925882 1 O px 25 -1.830914 2 H s 34 1.830914 3 H s 26 -0.684103 2 H s 35 0.684103 3 H s 8 0.331758 1 O px 32 0.222292 2 H pz 41 -0.222292 3 H pz 24 -0.197575 2 H s 33 0.197575 3 H s Vector 13 Occ=0.000000D+00 E= 2.626934D-01 Symmetry=a1 MO Center= -4.0D-15, 2.8D-15, -1.6D-01, r^2= 4.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 4.572716 1 O s 25 -2.318721 2 H s 34 -2.318721 3 H s 13 -0.593199 1 O pz 32 -0.491126 2 H pz 41 -0.491126 3 H pz 26 -0.337297 2 H s 35 -0.337297 3 H s 30 -0.313678 2 H px 39 0.313678 3 H px Vector 14 Occ=0.000000D+00 E= 3.163960D-01 Symmetry=a2 MO Center= 4.4D-15, -3.4D-15, -5.1D-01, r^2= 3.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 31 1.115138 2 H py 40 -1.115138 3 H py 19 -0.096814 1 O d -2 14 0.036673 1 O d -2 Vector 15 Occ=0.000000D+00 E= 3.306027D-01 Symmetry=a1 MO Center= 1.5D-14, -1.7D-15, -1.4D-01, r^2= 4.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 4.585521 1 O s 25 -2.367307 2 H s 34 -2.367307 3 H s 13 -1.912712 1 O pz 10 -0.720610 1 O pz 32 0.651923 2 H pz 41 0.651923 3 H pz 30 0.389809 2 H px 39 -0.389809 3 H px 26 -0.341348 2 H s Vector 16 Occ=0.000000D+00 E= 3.603059D-01 Symmetry=b2 MO Center= 9.2D-16, 3.6D-16, -3.7D-01, r^2= 4.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.230605 1 O py 31 -1.181666 2 H py 40 -1.181666 3 H py 9 0.603246 1 O py 6 0.171317 1 O py 20 -0.042779 1 O d -1 Vector 17 Occ=0.000000D+00 E= 4.752100D-01 Symmetry=b1 MO Center= -8.9D-15, -3.2D-30, -3.9D-01, r^2= 5.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 2.189076 1 O px 30 -2.079054 2 H px 39 -2.079054 3 H px 32 -1.159927 2 H pz 41 1.159927 3 H pz 26 -0.950362 2 H s 35 0.950362 3 H s 25 0.871135 2 H s 34 -0.871135 3 H s 8 0.220144 1 O px Vector 18 Occ=0.000000D+00 E= 5.478249D-01 Symmetry=a1 MO Center= -3.7D-15, -1.0D-16, -6.1D-01, r^2= 4.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 5.394446 1 O s 25 -3.023219 2 H s 34 -3.023219 3 H s 3 2.566242 1 O s 30 1.304196 2 H px 39 -1.304196 3 H px 32 -1.151884 2 H pz 41 -1.151884 3 H pz 26 -0.576366 2 H s 35 -0.576366 3 H s Vector 19 Occ=0.000000D+00 E= 5.676630D-01 Symmetry=b1 MO Center= -1.5D-14, 6.7D-31, -3.8D-01, r^2= 5.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 7.529926 2 H s 34 -7.529926 3 H s 30 -3.169692 2 H px 39 -3.169692 3 H px 11 -2.088585 1 O px 32 1.552645 2 H pz 41 -1.552645 3 H pz 8 -1.498758 1 O px 26 1.418512 2 H s 35 -1.418512 3 H s Vector 20 Occ=0.000000D+00 E= 6.773916D-01 Symmetry=b1 MO Center= 3.2D-15, -2.7D-17, -1.3D-01, r^2= 3.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 4.692637 2 H s 34 -4.692637 3 H s 11 -1.801881 1 O px 30 -1.110212 2 H px 39 -1.110212 3 H px 8 -0.724153 1 O px 22 -0.654193 1 O d 1 26 0.495710 2 H s 35 -0.495710 3 H s 24 -0.444881 2 H s Vector 21 Occ=0.000000D+00 E= 7.956311D-01 Symmetry=a1 MO Center= -6.4D-16, 1.0D-15, -2.6D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 5.455550 1 O s 25 -3.681438 2 H s 34 -3.681438 3 H s 13 -1.355012 1 O pz 3 1.196588 1 O s 23 0.685929 1 O d 2 24 0.544422 2 H s 33 0.544422 3 H s 32 -0.387715 2 H pz 41 -0.387715 3 H pz Vector 22 Occ=0.000000D+00 E= 9.626854D-01 Symmetry=b2 MO Center= -1.4D-14, 3.9D-15, 4.1D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 1.091654 1 O d -1 12 -0.765218 1 O py 31 0.576384 2 H py 40 0.576384 3 H py 6 -0.244527 1 O py 9 0.055920 1 O py Vector 23 Occ=0.000000D+00 E= 9.758164D-01 Symmetry=a1 MO Center= -1.6D-15, -1.6D-15, 4.1D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 21 -1.106283 1 O d 0 4 1.090955 1 O s 25 -0.765840 2 H s 34 -0.765840 3 H s 32 -0.699537 2 H pz 41 -0.699537 3 H pz 3 0.638177 1 O s 13 0.499472 1 O pz 10 -0.176092 1 O pz 7 0.169519 1 O pz Vector 24 Occ=0.000000D+00 E= 1.011234D+00 Symmetry=a2 MO Center= 1.4D-14, -8.8D-16, -1.8D-02, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.222812 1 O d -2 31 -0.770196 2 H py 40 0.770196 3 H py 28 0.043728 2 H py 37 -0.043728 3 H py Vector 25 Occ=0.000000D+00 E= 1.125707D+00 Symmetry=a1 MO Center= 2.5D-15, -3.8D-16, -1.6D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 3.512863 1 O s 25 -2.528662 2 H s 34 -2.528662 3 H s 3 1.525203 1 O s 10 -1.264677 1 O pz 13 -0.789862 1 O pz 23 -0.765207 1 O d 2 30 0.723105 2 H px 39 -0.723105 3 H px 7 0.574023 1 O pz Vector 26 Occ=0.000000D+00 E= 1.255406D+00 Symmetry=b2 MO Center= -7.2D-15, -3.3D-15, -2.1D-01, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.632738 1 O py 6 -0.953252 1 O py 31 -0.626389 2 H py 40 -0.626389 3 H py 20 -0.451564 1 O d -1 12 0.171243 1 O py Vector 27 Occ=0.000000D+00 E= 1.281297D+00 Symmetry=b1 MO Center= 1.2D-14, 7.7D-16, 2.7D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 4.761488 2 H s 34 -4.761488 3 H s 8 -2.056658 1 O px 30 -1.350493 2 H px 39 -1.350493 3 H px 32 1.167265 2 H pz 41 -1.167265 3 H pz 11 -1.147668 1 O px 22 0.775405 1 O d 1 5 0.606252 1 O px Vector 28 Occ=0.000000D+00 E= 1.375494D+00 Symmetry=a1 MO Center= -9.4D-15, 3.1D-16, 2.4D-01, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 -1.572587 1 O pz 4 1.431332 1 O s 24 -0.883682 2 H s 33 -0.883682 3 H s 23 0.814403 1 O d 2 7 0.653032 1 O pz 2 0.517466 1 O s 3 -0.440720 1 O s 25 -0.289658 2 H s 34 -0.289658 3 H s Vector 29 Occ=0.000000D+00 E= 1.805713D+00 Symmetry=b1 MO Center= 1.0D-14, -3.7D-16, -3.0D-01, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 1.042529 1 O px 25 -0.796647 2 H s 34 0.796647 3 H s 8 0.778227 1 O px 22 0.672428 1 O d 1 29 0.659137 2 H pz 38 -0.659137 3 H pz 32 -0.652138 2 H pz 41 0.652138 3 H pz 27 0.494316 2 H px Vector 30 Occ=0.000000D+00 E= 1.821803D+00 Symmetry=a2 MO Center= 6.3D-14, 5.0D-16, -2.6D-01, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 -0.947846 2 H py 37 0.947846 3 H py 19 0.877334 1 O d -2 31 0.088193 2 H py 40 -0.088193 3 H py 14 -0.071885 1 O d -2 Vector 31 Occ=0.000000D+00 E= 1.916270D+00 Symmetry=b2 MO Center= -5.8D-14, 2.9D-17, -4.1D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 0.993673 2 H py 37 0.993673 3 H py 9 -0.786271 1 O py 20 0.701369 1 O d -1 12 0.173674 1 O py 31 -0.085309 2 H py 40 -0.085309 3 H py 15 -0.061775 1 O d -1 Vector 32 Occ=0.000000D+00 E= 2.178354D+00 Symmetry=a1 MO Center= -6.1D-15, 5.6D-17, -2.1D-01, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 1.737539 1 O s 4 1.319828 1 O s 21 -1.288731 1 O d 0 25 -1.064006 2 H s 34 -1.064006 3 H s 29 -0.959254 2 H pz 38 -0.959254 3 H pz 23 0.738512 1 O d 2 2 -0.655544 1 O s 27 -0.639410 2 H px Vector 33 Occ=0.000000D+00 E= 2.215286D+00 Symmetry=b1 MO Center= -2.3D-15, -4.0D-17, -3.5D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 2.579693 2 H s 34 -2.579693 3 H s 8 -1.904097 1 O px 30 -1.208930 2 H px 39 -1.208930 3 H px 5 0.917127 1 O px 27 0.710676 2 H px 36 0.710676 3 H px 24 0.643414 2 H s 33 -0.643414 3 H s Sending upstream hdr.cmd = CMD_STDOUT MO Center= 9.9D-17, 1.3D-17, -3.9D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 2.041687 1 O s 2 -1.618469 1 O s 4 1.394736 1 O s 25 -0.997344 2 H s 34 -0.997344 3 H s 1 -0.720217 1 O s 29 0.586859 2 H pz 30 0.585147 2 H px 38 0.586859 3 H pz 39 -0.585147 3 H px Vector 35 Occ=0.000000D+00 E= 2.471253D+00 Symmetry=b1 MO Center= 6.9D-14, 9.3D-17, -2.2D-01, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 4.461475 2 H s 34 -4.461475 3 H s 8 -3.798877 1 O px 24 2.186833 2 H s 33 -2.186833 3 H s 22 -1.966388 1 O d 1 30 -1.313194 2 H px 39 -1.313194 3 H px 11 -1.193078 1 O px 29 0.633524 2 H pz Vector 36 Occ=0.000000D+00 E= 2.716559D+00 Symmetry=a1 MO Center= -5.5D-14, 4.1D-17, -1.4D-01, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 5.736400 1 O s 4 4.452283 1 O s 25 -3.226241 2 H s 34 -3.226241 3 H s 10 -2.388539 1 O pz 24 -1.689310 2 H s 33 -1.689310 3 H s 2 -1.394437 1 O s 27 0.910996 2 H px 36 -0.910996 3 H px Vector 37 Occ=0.000000D+00 E= 3.361833D+00 Symmetry=b2 MO Center= 5.2D-16, 5.3D-17, 1.3D-01, r^2= 7.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 15 1.193618 1 O d -1 20 -0.678432 1 O d -1 12 0.317677 1 O py 31 -0.307454 2 H py 40 -0.307454 3 H py 9 0.164802 1 O py 28 0.108748 2 H py 37 0.108748 3 H py 6 -0.046048 1 O py Vector 38 Occ=0.000000D+00 E= 3.375768D+00 Symmetry=a1 MO Center= -2.8D-16, -3.0D-18, 1.3D-01, r^2= 7.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 1.194172 1 O d 0 3 0.647072 1 O s 21 -0.624142 1 O d 0 32 -0.320602 2 H pz 41 -0.320602 3 H pz 4 0.264682 1 O s 13 0.242381 1 O pz 25 -0.221908 2 H s 34 -0.221908 3 H s 2 -0.186537 1 O s Vector 39 Occ=0.000000D+00 E= 3.388675D+00 Symmetry=a2 MO Center= -8.8D-16, 9.3D-17, 8.0D-02, r^2= 7.5D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.206249 1 O d -2 19 -0.706047 1 O d -2 31 0.333385 2 H py 40 -0.333385 3 H py 28 -0.130631 2 H py 37 0.130631 3 H py Vector 40 Occ=0.000000D+00 E= 3.697857D+00 Symmetry=a1 MO Center= -1.1D-14, -1.3D-17, 2.3D-03, r^2= 8.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 3.570565 1 O s 4 1.648342 1 O s 10 -1.451850 1 O pz 25 -1.339147 2 H s 34 -1.339147 3 H s 24 -1.280332 2 H s 33 -1.280332 3 H s 18 1.215938 1 O d 2 27 0.706795 2 H px 36 -0.706795 3 H px Vector 41 Occ=0.000000D+00 E= 3.963339D+00 Symmetry=b1 MO Center= -1.9D-15, -7.3D-18, 4.0D-02, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 -2.506327 2 H s 34 2.506327 3 H s 8 2.457456 1 O px 24 -1.528998 2 H s 33 1.528998 3 H s 17 1.330184 1 O d 1 30 0.696804 2 H px 39 0.696804 3 H px 27 0.676216 2 H px 36 0.676216 3 H px center of mass -------------- moments of inertia (a.u.) ------------------ Sending upstream hdr.cmd = CMD_STDOUT 2.197735387303 0.000000000000 0.000000000000 0.000000000000 6.322357589609 0.000000000000 0.000000000000 0.000000000000 4.124622202307 Multipole analysis of the density --------------------------------- L x y z total alpha beta nuclear - - - - ----- ----- ---- ------- 0 0 0 0 -0.000000 -5.000000 -5.000000 10.000000 1 1 0 0 0.000000 0.000000 0.000000 0.000000 1 0 1 0 -0.000000 -0.000000 -0.000000 0.000000 1 0 0 1 -0.744440 -0.372220 -0.372220 0.000000 2 2 0 0 -3.379074 -3.735836 -3.735836 4.092598 2 1 1 0 0.000000 0.000000 0.000000 0.000000 2 1 0 1 0.000000 0.000000 0.000000 0.000000 2 0 2 0 -5.815539 -2.907770 -2.907770 0.000000 2 0 1 1 -0.000000 -0.000000 -0.000000 0.000000 2 0 0 2 -4.841276 -3.402829 -3.402829 1.964381 Task times cpu: 72.5s wall: 4.9s NWChem Input Module ------------------- NWChem Property Module ---------------------- NWChem DFT Module ----------------- Summary of "ao basis" -> "ao basis" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- O aug-cc-pvdz 9 23 4s3p2d H aug-cc-pvdz 5 9 3s2p int_init: cando_txs set to always be F Caching 1-el integrals General Information ------------------- SCF calculation type: DFT Wavefunction type: closed shell. No. of atoms : 3 No. of electrons : 10 Alpha electrons : 5 Beta electrons : 5 Charge : 0 Spin multiplicity: 1 Use of symmetry is: off; symmetry adaption is: off Maximum number of iterations: 100 This is a Direct SCF calculation. AO basis - number of functions: 41 number of shells: 19 Convergence on energy requested: 1.00D-06 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 XC Information -------------- Using LibXC version 6.2.2 Hartree-Fock (Exact) Exchange 1.000 hyb_gga_xc_cam_b3lyp 1.000 Range-Separation Parameters --------------------------- Alpha : 0.19 Beta : 0.46 Gamma : 0.33 Short-Range HF : F Grid Information ---------------- Grid used for XC integration: medium Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- O 0.60 49 9.0 434 H 0.35 45 11.0 434 Grid pruning is: on Number of quadrature shells: 139 Spatial weights used: Erf1 Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 100 iters 100 iters Screening Tolerance Information ------------------------------- Density screening/tol_rho: 1.00D-10 AO Gaussian exp screening on grid/accAOfunc: 14 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-08 Loading old vectors from job with title : Time after variat. SCF: 5.2 Time prior to 1st pass: 5.2 Grid_pts file = ./libxc-h2o-camb3lyp-pol.gridpts.0 Record size in doubles = 12289 No. of grid_pts per rec = 3070 Max. records in memory = 12 Max. recs in file = 506625431 Memory utilization after 1st SCF pass: Heap Space remaining (MW): 0.00 18 Stack Space remaining (MW): 26.21 26214036 Sending upstream hdr.cmd = CMD_STDOUT convergence iter energy DeltaE RMS-Dens Diis-err time ---------------- ----- ----------------- --------- --------- --------- ------ d= 0,ls=0.0,diis 1 -76.4162714156 -8.56D+01 3.53D-07 1.57D-10 8.1 d= 0,ls=0.0,diis 2 -76.4162714157 -5.92D-11 1.21D-07 4.71D-11 10.9 Total DFT energy = -76.416271415694 One electron energy = -122.944922373992 Coulomb energy = 46.631784813480 Exchange-Corr. energy = -9.295228523839 Nuclear repulsion energy = 9.192094668657 Numeric. integr. density = 9.999999041607 Total iterative time = 5.7s DFT Final Molecular Orbital Analysis ------------------------------------ Vector 1 Occ=2.000000D+00 E=-1.923253D+01 MO Center= 2.3D-13, -3.4D-13, 1.2D-01, r^2= 1.5D-02 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 1 1.004442 1 O s Vector 2 Occ=2.000000D+00 E=-1.103974D+00 MO Center= 1.9D-10, -3.3D-11, -8.0D-02, r^2= 5.0D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 2 0.447603 1 O s 3 0.344780 1 O s 24 0.216694 2 H s 33 0.216694 3 H s 7 -0.110366 1 O pz 4 0.058714 1 O s 27 -0.036809 2 H px 36 0.036809 3 H px Vector 3 Occ=2.000000D+00 E=-6.096255D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 5 0.517739 1 O px 24 0.361347 2 H s Sending upstream hdr.cmd = CMD_STDOUT 33 -0.361347 3 H s 8 0.143761 1 O px 25 0.143431 2 H s 34 -0.143431 3 H s 22 -0.043686 1 O d 1 29 0.031542 2 H pz 38 -0.031542 3 H pz 17 0.026577 1 O d 1 Vector 4 Occ=2.000000D+00 E=-4.682987D-01 MO Center= -2.4D-09, -2.8D-09, 1.8D-01, r^2= 7.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 7 0.554774 1 O pz 3 0.329944 1 O s 10 0.293456 1 O pz 24 -0.207009 2 H s 33 -0.207009 3 H s 2 0.164671 1 O s 4 0.118301 1 O s 25 -0.074987 2 H s 34 -0.074987 3 H s 13 0.047159 1 O pz Vector 5 Occ=2.000000D+00 E=-3.922862D-01 MO Center= -6.4D-10, -4.1D-09, 7.2D-02, r^2= 7.2D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 6 0.634247 1 O py 9 0.416384 1 O py 12 0.089327 1 O py 31 0.029147 2 H py 40 0.029147 3 H py 28 0.027306 2 H py 37 0.027306 3 H py Vector 6 Occ=0.000000D+00 E= 3.093460D-03 MO Center= -3.4D-07, -3.5D-07, -7.7D-01, r^2= 8.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 0.886592 1 O s 26 -0.667670 2 H s 35 -0.667670 3 H s 25 -0.335720 2 H s 34 -0.335720 3 H s 3 0.244948 1 O s 10 -0.131107 1 O pz 7 -0.111844 1 O pz 2 0.100589 1 O s 13 -0.093681 1 O pz Vector 7 Occ=0.000000D+00 E= 4.022234D-02 MO Center= 3.4D-07, -1.0D-08, -7.7D-01, r^2= 1.4D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 26 2.698148 2 H s 35 -2.698148 3 H s 11 -0.651685 1 O px 25 0.471658 2 H s 34 -0.471658 3 H s 8 -0.151983 1 O px 5 -0.118693 1 O px 32 0.076006 2 H pz 41 -0.076006 3 H pz 30 -0.041858 2 H px Vector 8 Occ=0.000000D+00 E= 1.289025D-01 MO Center= 1.1D-07, -5.3D-07, 2.2D-01, r^2= 9.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 3.837512 1 O s 13 -1.590929 1 O pz 25 -1.411147 2 H s 34 -1.411145 3 H s 26 -0.780153 2 H s 35 -0.780150 3 H s 30 0.331986 2 H px 39 -0.331986 3 H px 3 0.264765 1 O s 7 0.235902 1 O pz Vector 9 Occ=0.000000D+00 E= 1.512378D-01 MO Center= -1.1D-07, 3.3D-08, 3.2D-01, r^2= 6.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.357363 1 O py 9 -0.258863 1 O py 6 -0.224357 1 O py 31 -0.213735 2 H py 40 -0.213734 3 H py 20 -0.044930 1 O d -1 Vector 10 Occ=0.000000D+00 E= 1.645277D-01 MO Center= -3.3D-06, -4.8D-09, -8.0D-02, r^2= 7.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 1.642828 1 O s 13 0.862956 1 O pz 26 -0.591194 2 H s 35 -0.591202 3 H s 32 -0.345114 2 H pz 41 -0.345115 3 H pz 30 0.324958 2 H px 39 -0.324959 3 H px 2 -0.186485 1 O s 3 -0.181556 1 O s Vector 11 Occ=0.000000D+00 E= 1.850833D-01 MO Center= 2.4D-06, -5.4D-08, -4.4D-01, r^2= 1.0D+01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 26 2.808729 2 H s 35 -2.808728 3 H s 11 -2.394621 1 O px 25 1.738128 2 H s 34 -1.738131 3 H s 30 -0.594643 2 H px 39 -0.594643 3 H px 32 0.567448 2 H pz 41 -0.567448 3 H pz 5 0.294641 1 O px Vector 12 Occ=0.000000D+00 E= 2.146403D-01 MO Center= 5.8D-07, -1.3D-08, 2.1D-01, r^2= 4.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 1.925907 1 O px 25 -1.830937 2 H s 34 1.830941 3 H s 26 -0.684132 2 H s 35 0.684132 3 H s 8 0.331759 1 O px 32 0.222286 2 H pz 41 -0.222286 3 H pz 24 -0.197575 2 H s 33 0.197575 3 H s Vector 13 Occ=0.000000D+00 E= 2.626932D-01 MO Center= -9.1D-08, 5.0D-07, -1.6D-01, r^2= 4.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 4.572704 1 O s 25 -2.318713 2 H s 34 -2.318710 3 H s 13 -0.593189 1 O pz 32 -0.491127 2 H pz 41 -0.491127 3 H pz 26 -0.337298 2 H s 35 -0.337296 3 H s 30 -0.313678 2 H px 39 0.313678 3 H px Vector 14 Occ=0.000000D+00 E= 3.163955D-01 MO Center= 3.6D-07, 6.0D-08, -5.1D-01, r^2= 3.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 31 1.115138 2 H py 40 -1.115138 3 H py 19 -0.096814 1 O d -2 14 0.036673 1 O d -2 MO Center= 4.5D-08, 1.2D-07, -1.4D-01, r^2= 4.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 4 4.585543 1 O s 25 -2.367317 2 H s 34 -2.367317 3 H s 13 -1.912715 1 O pz 10 -0.720612 1 O pz 32 0.651920 2 H pz 41 0.651920 3 H pz 30 0.389812 2 H px 39 -0.389812 3 H px 26 -0.341350 2 H s Vector 16 Occ=0.000000D+00 E= 3.603056D-01 MO Center= -2.5D-07, 1.1D-07, -3.7D-01, r^2= 4.2D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 12 1.230607 1 O py 31 -1.181666 2 H py 40 -1.181667 3 H py 9 0.603247 1 O py 6 0.171318 1 O py 20 -0.042779 1 O d -1 Vector 17 Occ=0.000000D+00 E= 4.752097D-01 MO Center= 5.9D-08, 2.0D-08, -3.9D-01, r^2= 5.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 2.189072 1 O px 30 -2.079061 2 H px 39 -2.079060 3 H px 32 -1.159923 2 H pz 41 1.159923 3 H pz 26 -0.950359 2 H s 35 0.950359 3 H s 25 0.871150 2 H s 34 -0.871149 3 H s 8 0.220141 1 O px Vector 18 Occ=0.000000D+00 E= 5.478244D-01 MO Center= 7.2D-07, 3.8D-08, -6.1D-01, r^2= 4.8D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 5.394431 1 O s 25 -3.023214 2 H s 34 -3.023210 3 H s 3 2.566241 1 O s 30 1.304195 2 H px 39 -1.304194 3 H px 32 -1.151885 2 H pz 41 -1.151884 3 H pz 26 -0.576365 2 H s 35 -0.576364 3 H s Vector 19 Occ=0.000000D+00 E= 5.676629D-01 MO Center= -6.0D-07, 5.8D-09, -3.8D-01, r^2= 5.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 7.529906 2 H s 34 -7.529908 3 H s 30 -3.169685 2 H px 39 -3.169686 3 H px 11 -2.088579 1 O px 32 1.552645 2 H pz 41 -1.552645 3 H pz 8 -1.498755 1 O px 26 1.418507 2 H s 35 -1.418508 3 H s Vector 20 Occ=0.000000D+00 E= 6.773911D-01 MO Center= -2.9D-08, -9.6D-09, -1.3D-01, r^2= 3.3D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 4.692662 2 H s 34 -4.692662 3 H s 11 -1.801891 1 O px 30 -1.110221 2 H px 39 -1.110221 3 H px 8 -0.724159 1 O px 22 -0.654191 1 O d 1 26 0.495715 2 H s 35 -0.495715 3 H s 24 -0.444881 2 H s Vector 21 Occ=0.000000D+00 E= 7.956305D-01 MO Center= 4.5D-08, 2.9D-08, -2.6D-01, r^2= 2.9D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 5.455558 1 O s 25 -3.681444 2 H s 34 -3.681444 3 H s 13 -1.355011 1 O pz 3 1.196591 1 O s 23 0.685928 1 O d 2 24 0.544424 2 H s 33 0.544424 3 H s 32 -0.387717 2 H pz 41 -0.387717 3 H pz Vector 22 Occ=0.000000D+00 E= 9.626860D-01 MO Center= 1.2D-09, -7.9D-08, 4.1D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 20 1.091654 1 O d -1 12 -0.765218 1 O py 31 0.576385 2 H py 40 0.576385 3 H py 6 -0.244525 1 O py 9 0.055918 1 O py Vector 23 Occ=0.000000D+00 E= 9.758169D-01 MO Center= 1.2D-08, 8.2D-08, 4.1D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 21 -1.106284 1 O d 0 4 1.090936 1 O s 25 -0.765828 2 H s 34 -0.765828 3 H s 32 -0.699537 2 H pz 41 -0.699537 3 H pz 3 0.638172 1 O s 13 0.499476 1 O pz 10 -0.176087 1 O pz 7 0.169516 1 O pz Vector 24 Occ=0.000000D+00 E= 1.011234D+00 MO Center= -7.8D-10, -9.3D-09, -1.8D-02, r^2= 2.1D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 19 1.222811 1 O d -2 31 -0.770196 2 H py 40 0.770196 3 H py 28 0.043728 2 H py 37 -0.043728 3 H py Vector 25 Occ=0.000000D+00 E= 1.125707D+00 MO Center= -2.3D-09, 4.5D-08, -1.6D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 4 3.512863 1 O s 25 -2.528662 2 H s 34 -2.528662 3 H s 3 1.525207 1 O s 10 -1.264677 1 O pz 13 -0.789860 1 O pz 23 -0.765207 1 O d 2 30 0.723106 2 H px 39 -0.723106 3 H px 7 0.574023 1 O pz Vector 26 Occ=0.000000D+00 E= 1.255406D+00 MO Center= 5.3D-09, -1.5D-08, -2.1D-01, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 9 1.632738 1 O py 6 -0.953252 1 O py 31 -0.626388 2 H py 40 -0.626388 3 H py 20 -0.451562 1 O d -1 12 0.171242 1 O py Vector 27 Occ=0.000000D+00 E= 1.281297D+00 MO Center= -5.1D-08, 1.1D-08, 2.7D-01, r^2= 2.0D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 4.761484 2 H s 34 -4.761484 3 H s 8 -2.056658 1 O px 30 -1.350491 2 H px 39 -1.350491 3 H px 32 1.167265 2 H pz 41 -1.167265 3 H pz 11 -1.147667 1 O px 22 0.775405 1 O d 1 5 0.606251 1 O px Vector 28 Occ=0.000000D+00 E= 1.375494D+00 MO Center= 7.7D-08, 3.3D-08, 2.4D-01, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 10 -1.572589 1 O pz 4 1.431339 1 O s 24 -0.883682 2 H s 33 -0.883682 3 H s 23 0.814404 1 O d 2 7 0.653032 1 O pz 2 0.517465 1 O s 3 -0.440716 1 O s 25 -0.289663 2 H s 34 -0.289664 3 H s Vector 29 Occ=0.000000D+00 E= 1.805712D+00 MO Center= 1.8D-09, 1.2D-08, -3.0D-01, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 11 1.042528 1 O px 25 -0.796643 2 H s 34 0.796643 3 H s 8 0.778223 1 O px 22 0.672427 1 O d 1 29 0.659137 2 H pz 38 -0.659137 3 H pz 32 -0.652138 2 H pz 41 0.652138 3 H pz 27 0.494316 2 H px Vector 30 Occ=0.000000D+00 E= 1.821802D+00 MO Center= -5.5D-09, -1.4D-08, -2.6D-01, r^2= 1.5D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 -0.947846 2 H py 37 0.947846 3 H py 19 0.877335 1 O d -2 31 0.088193 2 H py 40 -0.088193 3 H py 14 -0.071885 1 O d -2 Vector 31 Occ=0.000000D+00 E= 1.916269D+00 MO Center= 2.4D-09, -3.3D-10, -4.1D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 28 0.993673 2 H py 37 0.993673 3 H py 9 -0.786271 1 O py 20 0.701369 1 O d -1 12 0.173674 1 O py 31 -0.085308 2 H py 40 -0.085308 3 H py 15 -0.061775 1 O d -1 Vector 32 Occ=0.000000D+00 E= 2.178353D+00 MO Center= 3.7D-09, 1.3D-09, -2.1D-01, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 1.737532 1 O s 4 1.319822 1 O s 21 -1.288732 1 O d 0 25 -1.064002 2 H s 34 -1.064001 3 H s 29 -0.959255 2 H pz 38 -0.959255 3 H pz 23 0.738512 1 O d 2 2 -0.655541 1 O s 27 -0.639410 2 H px Vector 33 Occ=0.000000D+00 E= 2.215285D+00 MO Center= -1.3D-09, 7.3D-10, -3.5D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 2.579693 2 H s 34 -2.579693 3 H s 8 -1.904096 1 O px 30 -1.208930 2 H px 39 -1.208930 3 H px 5 0.917128 1 O px 27 0.710676 2 H px 36 0.710676 3 H px 24 0.643413 2 H s 33 -0.643413 3 H s Vector 34 Occ=0.000000D+00 E= 2.359966D+00 MO Center= -6.3D-09, 3.3D-10, -3.9D-01, r^2= 1.4D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 2.041684 1 O s 2 -1.618469 1 O s 4 1.394733 1 O s 25 -0.997342 2 H s 34 -0.997342 3 H s 1 -0.720217 1 O s 29 0.586858 2 H pz 30 0.585147 2 H px 38 0.586858 3 H pz 39 -0.585147 3 H px Vector 35 Occ=0.000000D+00 E= 2.471252D+00 MO Center= 1.0D-08, 2.1D-10, -2.2D-01, r^2= 1.6D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 4.461478 2 H s 34 -4.461477 3 H s 8 -3.798879 1 O px 24 2.186834 2 H s 33 -2.186834 3 H s 22 -1.966389 1 O d 1 30 -1.313194 2 H px 39 -1.313194 3 H px 11 -1.193079 1 O px 29 0.633524 2 H pz Vector 36 Occ=0.000000D+00 E= 2.716559D+00 MO Center= -6.8D-09, 2.4D-09, -1.4D-01, r^2= 1.7D+00 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 3 5.736404 1 O s 4 4.452285 1 O s 25 -3.226243 2 H s 34 -3.226243 3 H s 10 -2.388540 1 O pz 24 -1.689310 2 H s 33 -1.689310 3 H s 2 -1.394439 1 O s 27 0.910996 2 H px 36 -0.910996 3 H px Vector 37 Occ=0.000000D+00 E= 3.361833D+00 MO Center= -2.8D-09, 1.3D-09, 1.3D-01, r^2= 7.4D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 15 1.193618 1 O d -1 20 -0.678432 1 O d -1 12 0.317677 1 O py 31 -0.307454 2 H py 40 -0.307454 3 H py 9 0.164802 1 O py 28 0.108748 2 H py 37 0.108748 3 H py 6 -0.046048 1 O py Vector 38 Occ=0.000000D+00 E= 3.375768D+00 MO Center= -2.0D-10, -1.7D-09, 1.3D-01, r^2= 7.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 16 1.194172 1 O d 0 3 0.647071 1 O s 21 -0.624142 1 O d 0 32 -0.320602 2 H pz 41 -0.320602 3 H pz 4 0.264682 1 O s 13 0.242381 1 O pz 25 -0.221908 2 H s 34 -0.221908 3 H s 2 -0.186536 1 O s Vector 39 Occ=0.000000D+00 E= 3.388675D+00 MO Center= 1.9D-09, 1.7D-10, 8.0D-02, r^2= 7.5D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 14 1.206249 1 O d -2 19 -0.706047 1 O d -2 31 0.333385 2 H py 40 -0.333385 3 H py 28 -0.130631 2 H py 37 0.130631 3 H py MO Center= -1.7D-09, -3.0D-10, 2.3D-03, r^2= 8.6D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function Sending upstream hdr.cmd = CMD_STDOUT ----- ------------ --------------- ----- ------------ --------------- 3 3.570564 1 O s 4 1.648341 1 O s 10 -1.451849 1 O pz 25 -1.339146 2 H s 34 -1.339146 3 H s 24 -1.280331 2 H s 33 -1.280331 3 H s 18 1.215938 1 O d 2 27 0.706795 2 H px 36 -0.706795 3 H px Vector 41 Occ=0.000000D+00 E= 3.963339D+00 MO Center= 2.3D-10, 3.4D-10, 4.0D-02, r^2= 8.7D-01 Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function ----- ------------ --------------- ----- ------------ --------------- 25 -2.506325 2 H s 34 2.506325 3 H s 8 2.457455 1 O px 24 -1.528997 2 H s 33 1.528997 3 H s 17 1.330184 1 O d 1 30 0.696804 2 H px 39 0.696804 3 H px 27 0.676215 2 H px 36 0.676215 3 H px center of mass -------------- x = 0.00000000 y = 0.00000000 z = 0.09760123 moments of inertia (a.u.) ------------------ 2.197735387303 0.000000000000 0.000000000000 0.000000000000 6.322357589609 0.000000000000 0.000000000000 0.000000000000 4.124622202307 Multipole analysis of the density --------------------------------- L x y z total alpha beta nuclear - - - - ----- ----- ---- ------- 0 0 0 0 -0.000000 -5.000000 -5.000000 10.000000 1 1 0 0 0.000000 0.000000 0.000000 0.000000 1 0 1 0 0.000000 0.000000 0.000000 0.000000 1 0 0 1 -0.744447 -0.372223 -0.372223 0.000000 2 2 0 0 -3.379071 -3.735834 -3.735834 4.092598 2 1 1 0 0.000000 0.000000 0.000000 0.000000 2 1 0 1 0.000000 0.000000 0.000000 0.000000 2 0 2 0 -5.815550 -2.907775 -2.907775 0.000000 2 0 1 1 0.000000 0.000000 0.000000 0.000000 2 0 0 2 -4.841260 -3.402820 -3.402820 1.964381 *** CALLING NEW AORESP DRIVER FOR CLOSED AND OPEN SHELLS *** Entering AOResponse driver routine -------------------------------------------------------------------------------- **************** *** RESPONSE *** **************** Response module for NWChem and dynamic CPKS solver developed by J. Autschbach and coworkers, SUNY Buffalo The methodology used in this program is described in ChemPhysChem 12 (2011), 3224-3235 (main reference) J. Chem. Phys. 123 (2005), 114103 J. Chem. Phys. 122 (2005), 224115 J. Chem. Phys. 122 (2005), 074105 Comp. Lett. 3 (2007), 131-150 (contact JA for a copy) Please cite this work in publications based on results obtained with this code. Thank you! For extension of response module to open shell calculations please acknowledge: F. Aquino, Northwestern University, Schatz Rsrch Group The update to the methodology is described in J. Phys. Chem. A 118 (2014) 517-525 ----------------------------------------------- Solving response equations for perturbing field ----------------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT number of frequencies: 1 frequency in a.u.: 0.0000000E+00 Perturbing field: electric Using El. Dipole Length Gauge Setting up CPKS with frequency omega = 0.00000000 a.u. STATIC response int_init: cando_txs set to always be F NWChem CPHF Module ------------------ int_init: cando_txs set to always be F scftype = RHF nclosed = 5 nopen = 0 variables = 180 # of vectors = 3 tolerance = 0.10D-03 level shift = 0.00D+00 max iterations = 50 max subspace = 30 SCF residual: 7.0585341073280656E-006 Iterative solution of linear equations No. of variables 180 No. of equations 3 Maximum subspace 30 Iterations 50 Convergence 1.0D-04 Sending upstream hdr.cmd = CMD_STDOUT Start time 13.5 iter nsub residual time ---- ------ -------- --------- 1 3 1.37D+00 22.1 2 6 1.32D+00 31.0 3 9 1.58D-01 40.2 4 12 1.99D-02 49.3 5 15 1.40D-03 58.6 6 18 1.37D-04 68.0 7 21 1.36D-05 77.1 int_init: cando_txs set to always be F Electric Dipole Response Matrix (nonzero elements): 1 2 3 1 9.8990 -0.0000 -0.0000 2 -0.0000 8.7271 -0.0000 3 -0.0000 -0.0000 9.1315 ------------------------------------------ average: 9.25250 + I 0.00000 DFT Linear Response polarizability / au Frequency = 0.0000000 / au Wavelength = -999999.0000000 / nm X Y Z ----------------------------------------------- X 9.8989515 -0.0000002 -0.0000003 Y -0.0000002 8.7270676 -0.0000005 Z -0.0000003 -0.0000005 9.1314728 ----------------------------------------------- Eigenvalues = 9.8989515 8.7270676 9.1314728 Isotropic = 9.2524973 Anisotropic = 1.0309896 ----------------------------------------------- Magnetic Dipole Response Matrix (nonzero elements): Optical rotation tensor Beta *** static G'=0. Use GPRIME input with finite omega *** or better ORBETA without GPRIME for small or zero freq. zero matrix ------------------------------------------ average: 0.00000 + I 0.00000 ------------- Sending upstream hdr.cmd = CMD_STDOUT Dipole Moment ------------- int_init: cando_txs set to always be F Center of mass (in au) is the expansion point X = 0.0000000 Y = 0.0000000 Z = 0.0976012 Dipole moment 0.7444468197 A.U. DMX 0.0000000122 DMXEFC 0.0000000000 DMY 0.0000000270 DMYEFC 0.0000000000 DMZ -0.7444468197 DMZEFC 0.0000000000 Total dipole 0.7444468197 A.U. Dipole moment 1.8922093770 Debye(s) DMX 0.0000000309 DMXEFC 0.0000000000 Sending upstream hdr.cmd = CMD_STDOUT DMZ -1.8922093770 DMZEFC 0.0000000000 -EFC- dipole 0.0000000000 DEBYE(S) Total dipole 1.8922093770 DEBYE(S) Sending upstream hdr.cmd = CMD_STDOUT 1 a.u. = 2.541766 Debyes Task times cpu: 1261.1s wall: 72.2s NWChem Input Module ------------------- Summary of allocated global arrays ----------------------------------- No active global arrays MA_summarize_allocated_blocks: starting scan ... heap block 'gridpts', handle 83, address 0x112cb468: type of elements: double precision number of elements: 33554432 address of client space: 0x112cb4c0 index for client space: 9178093 total number of bytes: 268435552 MA_summarize_allocated_blocks: scan completed: 1 heap block, 0 stack blocks allocation statistics: heap stack ---- ----- Sending upstream hdr.cmd = CMD_STDOUT current number of blocks 1 0 maximum number of blocks 23 62 current total bytes 268435552 0 maximum total bytes 269620440 22511544 maximum total K-bytes 269621 22512 maximum total M-bytes 270 23 CITATION -------- Please cite the following reference when publishing results obtained with NWChem: E. Apra, E. J. Bylaska, W. A. de Jong, N. Govind, K. Kowalski, T. P. Straatsma, M. Valiev, H. J. J. van Dam, Y. Alexeev, J. Anchell, V. Anisimov, F. W. Aquino, R. Atta-Fynn, J. Autschbach, N. P. Bauman, J. C. Becca, D. E. Bernholdt, K. Bhaskaran-Nair, S. Bogatko, P. Borowski, J. Boschen, J. Brabec, A. Bruner, E. Cauet, Y. Chen, G. N. Chuev, C. J. Cramer, J. Daily, M. J. O. Deegan, T. H. Dunning Jr., M. Dupuis, K. G. Dyall, G. I. Fann, S. A. Fischer, A. Fonari, H. Fruchtl, L. Gagliardi, J. Garza, N. Gawande, S. Ghosh, K. Glaesemann, A. W. Gotz, J. Hammond, V. Helms, E. D. Hermes, K. Hirao, S. Hirata, M. Jacquelin, L. Jensen, B. G. Johnson, H. Jonsson, R. A. Kendall, M. Klemm, R. Kobayashi, V. Konkov, S. Krishnamoorthy, M. Krishnan, Z. Lin, R. D. Lins, R. J. Littlefield, A. J. Logsdail, K. Lopata, W. Ma, A. V. Marenich, J. Martin del Campo, D. Mejia-Rodriguez, J. E. Moore, J. M. Mullin, T. Nakajima, D. R. Nascimento, J. A. Nichols, P. J. Nichols, J. Nieplocha, A. Otero-de-la-Roza, B. Palmer, A. Panyala, T. Pirojsirikul, B. Peng, R. Peverati, J. Pittner, L. Pollack, R. M. Richard, P. Sadayappan, G. C. Schatz, W. A. Shelton, D. W. Silverstein, D. M. A. Smith, T. A. Soares, D. Song, M. Swart, H. L. Taylor, G. S. Thomas, V. Tipparaju, D. G. Truhlar, K. Tsemekhman, T. Van Voorhis, A. Vazquez-Mayagoitia, P. Verma, O. Villa, A. Vishnu, K. D. Vogiatzis, D. Wang, J. H. Weare, M. J. Williamson, T. L. Windus, K. Wolinski, A. T. Wong, Q. Wu, C. Yang, Q. Yu, M. Zacharias, Z. Zhang, Y. Zhao, and R. J. Harrison "NWChem: Past, present, and future J. Chem. Phys. 152, 184102 (2020) doi:10.1063/5.0004997 AUTHORS ------- E. Apra, E. J. Bylaska, N. Govind, K. Kowalski, M. Valiev, D. Mejia-Rodriguez, A. Kunitsa, N. P. Bauman, A. Panyala, W. A. de Jong, T. P. Straatsma, H. J. J. van Dam, D. Wang, T. L. Windus, J. Hammond, J. Autschbach, A. Woods, K. Bhaskaran-Nair, J. Brabec, K. Lopata, S. A. Fischer, S. Krishnamoorthy, M. Jacquelin, W. Ma, M. Klemm, O. Villa, Y. Chen, V. Anisimov, F. Aquino, S. Hirata, M. T. Hackler, E. Hermes, L. Jensen, J. E. Moore, J. C. Becca, V. Konjkov, T. Risthaus, M. Malagoli, A. Marenich, A. Otero-de-la-Roza, J. Mullin, P. Nichols, R. Peverati, J. Pittner, Y. Zhao, P.-D. Fan, A. Fonari, M. J. Williamson, R. J. Harrison, J. R. Rehr, M. Dupuis, D. Silverstein, D. M. A. Smith, J. Nieplocha, V. Tipparaju, M. Krishnan, B. E. Van Kuiken, A. Vazquez-Mayagoitia, M. Swart, Q. Wu, T. Van Voorhis, A. A. Auer, M. Nooijen, L. D. Crosby, E. Brown, G. Cisneros, G. I. Fann, H. Fruchtl, J. Garza, K. Hirao, R. A. Kendall, J. A. Nichols, K. Tsemekhman, K. Wolinski, J. Anchell, D. E. Bernholdt, P. Borowski, T. Clark, D. Clerc, H. Dachsel, M. J. O. Deegan, K. Dyall, D. Elwood, E. Glendening, M. Gutowski, A. C. Hess, J. Jaffe, B. G. Johnson, J. Ju, R. Kobayashi, R. Kutteh, Z. Lin, R. Littlefield, X. Long, B. Meng, T. Nakajima, S. Niu, L. Pollack, M. Rosing, K. Glaesemann, G. Sandrone, M. Stave, H. Taylor, G. Thomas, J. H. van Lenthe, A. T. Wong, Z. Zhang. Total times cpu: 1333.6s wall: 77.1s cmd=finalize cmd=finalize_ack rc=0 cmd=finalize cmd=finalize_ack rc=0 + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + test -r ../testoutputs.doafewqmtests.mpi.2_mpich.log/h2o_bnl.out.nwparse + cat ../testoutputs.doafewqmtests.mpi.2_mpich.log/h2o_bnl.err + BUILD_LOG=../dolibxctests.mpi.2_mpich.log + TESTOUTPUTS=../testoutputs.dolibxctests.mpi.2_mpich.log + ls -al ../testoutputs.dolibxctests.mpi.2_mpich.log ++ grep Running ++ cut '-d ' -f 4 +++ grep 'Running tests/' ../dolibxctests.mpi.2_mpich.log ++ diff /dev/fd/63 /dev/fd/62 +++ grep -E 'Running tests/|verifying output ... OK' ../dolibxctests.mpi.2_mpich.log +++ grep 'verifying output' -B 1 +++ grep Running + for f in $(diff <(grep "Running tests/" ${BUILD_LOG}) <(grep -E "Running tests/|verifying output ... OK" ${BUILD_LOG} | grep "verifying output" -B 1 | grep Running) | grep Running | cut -d' ' -f 4) + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo ++ basename tests/libxc-h2o-camb3lyp-pol/libxc-h2o-camb3lyp-pol + NAME=libxc-h2o-camb3lyp-pol + echo ../testoutputs.dolibxctests.mpi.2_mpich.log/libxc-h2o-camb3lyp-pol.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + cat ../testoutputs.dolibxctests.mpi.2_mpich.log/libxc-h2o-camb3lyp-pol.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + test -r ../testoutputs.dolibxctests.mpi.2_mpich.log/libxc-h2o-camb3lyp-pol.out.nwparse + cat ../testoutputs.dolibxctests.mpi.2_mpich.log/libxc-h2o-camb3lyp-pol.out.nwparse + for f in $(diff <(grep "Running tests/" ${BUILD_LOG}) <(grep -E "Running tests/|verifying output ... OK" ${BUILD_LOG} | grep "verifying output" -B 1 | grep Running) | grep Running | cut -d' ' -f 4) + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo ++ basename tests/libxc_ne2p_wb97x/libxc_ne2p_wb97x + NAME=libxc_ne2p_wb97x + echo ../testoutputs.dolibxctests.mpi.2_mpich.log/libxc_ne2p_wb97x.out + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + cat ../testoutputs.dolibxctests.mpi.2_mpich.log/libxc_ne2p_wb97x.out ################################################################################ Effective nuclear repulsion energy (a.u.) 9.19 Total DFT energy = -76.41627 Total DFT energy = -76.41627 average: 9.252 + I 0.000 Anisotropic = 1.031 average: 0.000 + I 0.000 DMX 0.000 DMXEFC 0.000 DMY 0.000 DMYEFC 0.000 DMZ -0.744 DMZEFC 0.000 DMX 0.000 DMXEFC 0.000 DMZ -1.892 DMZEFC 0.000 ################################################################################ ../testoutputs.dolibxctests.mpi.2_mpich.log/libxc_ne2p_wb97x.out ################################################################################ host: builder1.x64.stream.opencloudos.tech [mpiexec@builder1.x64.stream.opencloudos.tech] Timeout set to -1 (-1 means infinite) ================================================================================================== mpiexec options: ---------------- Base path: /usr/lib64/mpich/bin/ Launcher: (null) Debug level: 1 Enable X: -1 Global environment: ------------------- NWCHEM_TARGET=LINUX64 SHELL=/bin/bash RPM_SOURCE_DIR=/builddir/build/SOURCES HISTCONTROL=ignoredups MPI_LIB=/usr/lib64/mpich/lib OMPI_MCA_rmaps_base_oversubscribe=1 PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig HOSTNAME=builder1.x64.stream.opencloudos.tech HISTSIZE=1000 _ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo= __LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1 OMPI_MCA_btl=^uct HYDRA_DEBUG=0 LMOD_DIR=/usr/share/lmod/lmod/libexec FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir LOGNAME=mockbuild MODULESHOME=/usr/share/lmod/lmod MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man MPI_COMPILER=mpich-x86_64 MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich CXX=g++ CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection MPI_INCLUDE=/usr/include/mpich-x86_64 RPM_ARCH=x86_64 MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich MPI_HOME=/usr/lib64/mpich __LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1 LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 HOME=/builddir _ModuleTable_Sz_=2 LANG=C __LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1 RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1 LMOD_SETTARG_FULL_SUPPORT=no PROMPT_COMMAND=printf "\033]0;\007" RPM_PACKAGE_RELEASE=1.ocs23 LMOD_VERSION=8.7.31 MPI_SYSCONFIG=/etc/mpich-x86_64 RPM_OS=linux NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/ USE_LIBXC=True MODULEPATH_ROOT=/usr/share/modulefiles LT_SYS_LIBRARY_PATH=/usr/lib64: MALLOC_PERTURB_=74 MPI_SUFFIX=_mpich FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules LMOD_PKG=/usr/share/lmod/lmod TERM=vt100 FLEXIBLAS=openblas-openmp LESSOPEN=||/usr/bin/lesspipe.sh %s USER=mockbuild TIMEOUT_OPTS=--preserve-status --kill-after 10 1800 NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/ MPI_PYTHON_SITEARCH=@py2sitearch@/mpich LOADEDMODULES=mpi/mpich-x86_64 LMOD_ROOT=/usr/share/lmod SHLVL=3 RPM_BUILD_DIR=/builddir/build/BUILD BASH_ENV=/usr/share/lmod/lmod/init/bash LMOD_sys=Linux MPI_BIN=/usr/lib64/mpich/bin RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection __LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1 NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich RPM_DOC_DIR=/usr/share/doc _ModuleTable001_=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 LD_LIBRARY_PATH=/usr/lib64/mpich/lib MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec OMPI_MCA_btl_base_warn_component_unused=0 RPM_PACKAGE_VERSION=7.2.2 MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich MPI_MAN=/usr/share/man/mpich-x86_64 which_declare=declare -f MPIRUN_NPOPT=-verbose -np CONFIG_SITE=NONE PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core CC=gcc _LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64 CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod MAIL=/var/spool/mail/mockbuild __LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1 RPM_BUILD_NCPUS=32 RPM_PACKAGE_NAME=nwchem NPROC=2 RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" } BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ } BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status } _=/usr/lib64/mpich/bin/mpiexec Hydra internal environment: --------------------------- GFORTRAN_UNBUFFERED_PRECONNECTED=y Proxy information: ********************* [1] proxy: builder1.x64.stream.opencloudos.tech (1 cores) Exec list: /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich (2 processes); ================================================================================================== [mpiexec@builder1.x64.stream.opencloudos.tech] Got a control port string of builder1.x64.stream.opencloudos.tech:42273 Proxy launch args: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:42273 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id Arguments being passed to proxy 0: --version 4.1.1 --iface-ip-env-name MPIR_CVAR_CH3_INTERFACE_HOSTNAME --hostname builder1.x64.stream.opencloudos.tech --global-core-map 0,1,1 --pmi-id-map 0,0 --global-process-count 2 --auto-cleanup 1 --pmi-kvsname kvs_720748_0_1003531075_builder1.x64.stream.opencloudos.tech --pmi-process-mapping (vector,(0,1,2)) --global-inherited-env 93 'NWCHEM_TARGET=LINUX64' 'SHELL=/bin/bash' 'RPM_SOURCE_DIR=/builddir/build/SOURCES' 'HISTCONTROL=ignoredups' 'MPI_LIB=/usr/lib64/mpich/lib' 'OMPI_MCA_rmaps_base_oversubscribe=1' 'PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:/usr/lib64/pkgconfig:/usr/share/pkgconfig' 'HOSTNAME=builder1.x64.stream.opencloudos.tech' 'HISTSIZE=1000' '_ModuleTable002_=YXJlL21vZHVsZWZpbGVzIiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvTGludXgiCiwgIi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZSIsICIvdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9ldGMvbW9kdWxlZmlsZXM6L3Vzci9zaGFyZS9tb2R1bGVmaWxlczovdXNyL3NoYXJlL21vZHVsZWZpbGVzL0xpbnV4Oi91c3Ivc2hhcmUvbW9kdWxlZmlsZXMvQ29yZTovdXNyL3NoYXJlL2xtb2QvbG1vZC9tb2R1bGVmaWxlcy9Db3JlIiwKfQo=' '__LMOD_REF_COUNT_MODULEPATH=/etc/modulefiles:1;/usr/share/modulefiles:1;/usr/share/modulefiles/Linux:1;/usr/share/modulefiles/Core:1;/usr/share/lmod/lmod/modulefiles/Core:1' 'OMPI_MCA_btl=^uct' 'HYDRA_DEBUG=0' 'LMOD_DIR=/usr/share/lmod/lmod/libexec' 'FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'PWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir' 'LOGNAME=mockbuild' 'MODULESHOME=/usr/share/lmod/lmod' 'MANPATH=:/usr/share/man/mpich-x86_64:/usr/share/lmod/lmod/share/man' 'MPI_COMPILER=mpich-x86_64' 'MPI_PYTHON2_SITEARCH=@py2sitearch@/mpich' 'CXX=g++' 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'MPI_INCLUDE=/usr/include/mpich-x86_64' 'RPM_ARCH=x86_64' 'MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/mpich' 'MPI_HOME=/usr/lib64/mpich' '__LMOD_REF_COUNT_PATH=/usr/lib64/mpich/bin:1;/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:1;/usr/lib64/openmpi/bin:1;/usr/bin:1;/bin:1;/usr/sbin:1;/sbin:1;/usr/local/sbin:1' 'LDFLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'HOME=/builddir' '_ModuleTable_Sz_=2' 'LANG=C' '__LMOD_REF_COUNT_PKG_CONFIG_PATH=/usr/lib64/mpich/lib/pkgconfig:1;/usr/lib64/pkgconfig:1;/usr/share/pkgconfig:1' 'RPM_LD_FLAGS=-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-ld -Wl,--build-id=sha1' 'LMOD_SETTARG_FULL_SUPPORT=no' 'PROMPT_COMMAND=printf "\033]0;\007"' 'RPM_PACKAGE_RELEASE=1.ocs23' 'LMOD_VERSION=8.7.31' 'MPI_SYSCONFIG=/etc/mpich-x86_64' 'RPM_OS=linux' 'NWCHEM_NWPW_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraryps/' 'USE_LIBXC=True' 'MODULEPATH_ROOT=/usr/share/modulefiles' 'LT_SYS_LIBRARY_PATH=/usr/lib64:' 'MALLOC_PERTURB_=74' 'MPI_SUFFIX=_mpich' 'FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules' 'LMOD_PKG=/usr/share/lmod/lmod' 'TERM=vt100' 'FLEXIBLAS=openblas-openmp' 'LESSOPEN=||/usr/bin/lesspipe.sh %s' 'USER=mockbuild' 'TIMEOUT_OPTS=--preserve-status --kill-after 10 1800' 'NWCHEM_BASIS_LIBRARY=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/nwchem/libraries/' 'MPI_PYTHON_SITEARCH=@py2sitearch@/mpich' 'LOADEDMODULES=mpi/mpich-x86_64' 'LMOD_ROOT=/usr/share/lmod' 'SHLVL=3' 'RPM_BUILD_DIR=/builddir/build/BUILD' 'BASH_ENV=/usr/share/lmod/lmod/init/bash' 'LMOD_sys=Linux' 'MPI_BIN=/usr/lib64/mpich/bin' 'RPM_OPT_FLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' '__LMOD_REF_COUNT_MANPATH=:2;/usr/share/man/mpich-x86_64:1;/usr/share/lmod/lmod/share/man:1' 'NWCHEM_EXECUTABLE=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich' 'RPM_DOC_DIR=/usr/share/doc' '_ModuleTable001_=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' 'LD_LIBRARY_PATH=/usr/lib64/mpich/lib' 'MPIRUN_PATH=/usr/lib64/mpich/bin/mpiexec' 'OMPI_MCA_btl_base_warn_component_unused=0' 'RPM_PACKAGE_VERSION=7.2.2' 'MPI_PYTHON3_SITEARCH=/usr/lib64/python3.11/site-packages/mpich' 'MPI_MAN=/usr/share/man/mpich-x86_64' 'which_declare=declare -f' 'MPIRUN_NPOPT=-verbose -np' 'CONFIG_SITE=NONE' 'PATH=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/mpich/bin:/usr/lib64/mpich/bin:/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64:/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin' 'MODULEPATH=/etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core' 'CC=gcc' '_LMFILES_=/usr/share/modulefiles/mpi/mpich-x86_64' 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/OpenCloudOS/OpenCloudOS-hardened-cc1 -fstack-protector-strong -m64 -march=x86-64-v2 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection' 'LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod' 'MAIL=/var/spool/mail/mockbuild' '__LMOD_REF_COUNT_LD_LIBRARY_PATH=/usr/lib64/mpich/lib:1' 'RPM_BUILD_NCPUS=32' 'RPM_PACKAGE_NAME=nwchem' 'NPROC=2' 'RPM_BUILD_ROOT=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64' 'OLDPWD=/builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA' 'BASH_FUNC_ml%%=() { eval "$($LMOD_DIR/ml_cmd "$@")" }' 'BASH_FUNC_which%%=() { ( alias; eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ }' 'BASH_FUNC_module%%=() { if [ -z "${LMOD_SH_DBG_ON+x}" ]; then case "$-" in *v*x*) __lmod_sh_dbg='vx' ;; *v*) __lmod_sh_dbg='v' ;; *x*) __lmod_sh_dbg='x' ;; esac; fi; if [ -n "${__lmod_sh_dbg:-}" ]; then set +$__lmod_sh_dbg; echo "Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output" 1>&2; fi; eval "$($LMOD_CMD shell "$@")" && eval "$(${LMOD_SETTARG_CMD:-:} -s sh)"; __lmod_my_status=$?; if [ -n "${__lmod_sh_dbg:-}" ]; then echo "Shell debugging restarted" 1>&2; set -$__lmod_sh_dbg; fi; unset __lmod_sh_dbg; return $__lmod_my_status }' '_=/usr/lib64/mpich/bin/mpiexec' --global-user-env 0 --global-system-env 1 'GFORTRAN_UNBUFFERED_PRECONNECTED=y' --proxy-core-count 1 --exec --exec-appnum 0 --exec-proc-count 2 --exec-local-env 0 --exec-wdir /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/scratchdir --exec-args 2 /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/bin/LINUX64/nwchem_mpich /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/libxc_ne2p_wb97x/libxc_ne2p_wb97x.nw [mpiexec@builder1.x64.stream.opencloudos.tech] Launch arguments: /usr/lib64/mpich/bin/hydra_pmi_proxy --control-port builder1.x64.stream.opencloudos.tech:42273 --debug --rmk user --launcher ssh --demux poll --pgid 0 --retries 10 --usize -2 --pmi-port 0 --gpus-per-proc -2 --gpu-subdevs-per-proc -2 --proxy-id 0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PID_LIST [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=init pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=init pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=response_to_init rc=0 pmi_version=1 pmi_subversion=1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_maxes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_maxes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=maxes rc=0 kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_appnum [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=appnum rc=0 appnum=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_appnum [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=appnum rc=0 appnum=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_my_kvsname [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=my_kvsname rc=0 kvsname=kvs_720748_0_1003531075_builder1.x64.stream.opencloudos.tech [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get_my_kvsname [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=my_kvsname rc=0 kvsname=kvs_720748_0_1003531075_builder1.x64.stream.opencloudos.tech [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_720748_0_1003531075_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_720748_0_1003531075_builder1.x64.stream.opencloudos.tech key=PMI_process_mapping [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=(vector,(0,1,2)) found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_720748_0_1003531075_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_4m1n3t found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_720748_0_1003531075_builder1.x64.stream.opencloudos.tech key=PMI_hwloc_xmlfile [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=/tmp/hydra_hwloc_xmlfile_4m1n3t found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_720748_0_1003531075_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 value=2F6465762F73686D2F6D706963685F736861725F746D704F345A4C457100 [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704F345A4C457100 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] flushing 1 put command(s) out [proxy:0:0@builder1.x64.stream.opencloudos.tech] forwarding command upstream: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704F345A4C457100 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704F345A4C457100 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704F345A4C457100 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache -bcast-1-0=2F6465762F73686D2F6D706963685F736861725F746D704F345A4C457100 [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=get kvsname=kvs_720748_0_1003531075_builder1.x64.stream.opencloudos.tech key=-bcast-1-0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=get_result rc=0 value=2F6465762F73686D2F6D706963685F736861725F746D704F345A4C457100 found=TRUE [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_720748_0_1003531075_builder1.x64.stream.opencloudos.tech key=P0-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#39483$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#39483$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=put kvsname=kvs_720748_0_1003531075_builder1.x64.stream.opencloudos.tech key=P1-businesscard value=description#builder1.x64.stream.opencloudos.tech$port#39909$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] cached command: P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#39909$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=put_result rc=0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] flushing 2 put command(s) out [proxy:0:0@builder1.x64.stream.opencloudos.tech] forwarding command upstream: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#39483$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#39909$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#39483$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#39909$ifname#172.16.0.28$ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=mput P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#39483$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#39909$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=keyval_cache P0-businesscard=description#builder1.x64.stream.opencloudos.tech$port#39483$ifname#172.16.0.28$ P1-businesscard=description#builder1.x64.stream.opencloudos.tech$port#39909$ifname#172.16.0.28$ [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] got pmi command cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream internal PMI command: cmd=barrier_in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_PMI [mpiexec@builder1.x64.stream.opencloudos.tech] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@builder1.x64.stream.opencloudos.tech] Sending internal PMI command (proxy:0:0): cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending PMI command: cmd=barrier_out [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT argument 1 = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/libxc_ne2p_wb97x/libxc_ne2p_wb97x.nw [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ============================== echo of input deck ============================== echo start ne2p charge +1 #table XI of doi:10.1063/1.2834918 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT #De=E(X)+E(X+)-E(X2+,Re) #627.51*(257.202689445028-128.163843993850-128.952762940824)=54.0 geometry ne ne 0. 0. 0. end geometry ne2 ne 0. 0.9 0. ne 0. -0.9 0. end basis "ao basis" spherical * library aug-cc-pvqz end set geometry ne2 dft mult 2 #xc wb97x xc hyb_gga_xc_wb97x grid xfine convergence energy 1d-9 noprint "final vectors analysis" multipole end task dft optimize set geometry ne [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT dft mult 2 end task dft charge 0 dft mult 1 end task dft ================================================================================ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Northwest Computational Chemistry Package (NWChem) 7.2.2 -------------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory Richland, WA 99352 Copyright (c) 1994-2022 Pacific Northwest National Laboratory Battelle Memorial Institute NWChem is an open-source computational chemistry package distributed under the terms of the Educational Community License (ECL) 2.0 A copy of the license is included with this distribution in the LICENSE.TXT file ACKNOWLEDGMENT -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT This software and its documentation were developed at the EMSL at Pacific Northwest National Laboratory, a multiprogram national laboratory, operated for the U.S. Department of Energy by Battelle under Contract Number DE-AC05-76RL01830. Support for this work was provided by the Department of Energy Office of Biological and Environmental Research, Office of Basic [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Energy Sciences, and the Office of Advanced Scientific Computing. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Job information --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT hostname = builder1.x64.stream.opencloudos.tech program = nwchem_binary_mpich date = Tue Jul 23 10:27:14 2024 compiled = Tue_Jul_23_08:39:25_2024 source = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576 nwchem branch = 7.2.2 nwchem revision = N/A ga revision = 5.8.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT use scalapack = T input = /builddir/build/BUILD/nwchem-74936fb92aec6990ce48bf334747215813684576/QA/tests/libxc_ne2p_wb97x/libxc_ne2p_wb97x.nw prefix = ne2p. data base = ./ne2p.db status = startup nproc = 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT time left = -1s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Memory information ------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT heap = 26214394 doubles = 200.0 Mbytes [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT stack = 26214399 doubles = 200.0 Mbytes global = 52428800 doubles = 400.0 Mbytes (distinct from heap & stack) total = 104857593 doubles = 800.0 Mbytes verify = yes hardfail = no [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Directory information --------------------- 0 permanent = . 0 scratch = . [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem Input Module ------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Scaling coordinates for geometry "ne" by 1.889725989 (inverse scale = 0.529177249) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Geometry "ne" -> "" ------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 ne 10.0000 0.00000000 0.00000000 0.00000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Atomic Mass ----------- ne 19.992440 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Effective nuclear repulsion energy (a.u.) 0.0000000000 Nuclear Dipole moment (a.u.) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ---------------------------- X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT XYZ format geometry ------------------- 1 ne ne 0.00000000 0.00000000 0.00000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Scaling coordinates for geometry "ne2" by 1.889725989 (inverse scale = 0.529177249) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ORDER OF PRIMARY AXIS IS BEING SET TO 4 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT D4H symmetry detected [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------ auto-z ------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 autoz failed with cvr_scaling = 1.2 changing to 1.3 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 autoz failed with cvr_scaling = 1.3 changing to 1.4 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 3 autoz failed with cvr_scaling = 1.4 changing to 1.5 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 autoz failed with cvr_scaling = 1.5 changing to 1.6 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Geometry "ne2" -> " " ---------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 ne 10.0000 0.00000000 0.00000000 0.90000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 ne 10.0000 0.00000000 0.00000000 -0.90000000 Atomic Mass ----------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ne 19.992440 Effective nuclear repulsion energy (a.u.) 29.3987360555 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0.0000000000 0.0000000000 0.0000000000 Symmetry information -------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Group name D4h Group number 28 Group order 16 No. of unique centers 1 Symmetry unique atoms 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Type Name I J K L M Value ----------- -------- ----- ----- ----- ----- ----- ---------- 1 Stretch 1 2 1.80000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT XYZ format geometry ------------------- 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ne2 ne 0.00000000 0.00000000 0.90000000 ne 0.00000000 0.00000000 -0.90000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT library name resolved from: environment library file name is: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Summary of "ao basis" -> "" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- Sending upstream hdr.cmd = CMD_STDOUT * aug-cc-pvqz on all atoms [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem Geometry Optimization ---------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT maximum gradient threshold (gmax) = 0.000450 rms gradient threshold (grms) = 0.000300 maximum cartesian step threshold (xmax) = 0.001800 rms cartesian step threshold (xrms) = 0.001200 fixed trust radius (trust) = 0.300000 maximum step size to saddle (sadstp) = 0.100000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT energy precision (eprec) = 5.0D-06 maximum number of steps (nptopt) = 40 initial hessian option (inhess) = 0 line search option (linopt) = 1 hessian update option (modupd) = 1 saddle point option (modsad) = 0 initial eigen-mode to follow (moddir) = 0 initial variable to follow (vardir) = 0 follow first negative mode (firstneg) = T [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT apply conjugacy (opcg) = F source of zmatrix = autoz ------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Energy Minimization ------------------- Names of Z-matrix variables 1 Variables with the same non-blank name are constrained to be equal [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Using diagonal initial Hessian [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Scaling for Hessian diagonals: bonds = 1.00 angles = 0.25 torsions = 0.10 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------- Step 0 -------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Geometry "geometry" -> "ne2" ---------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 ne 10.0000 0.00000000 0.00000000 0.90000000 2 ne 10.0000 0.00000000 0.00000000 -0.90000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Atomic Mass ----------- ne 19.992440 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Effective nuclear repulsion energy (a.u.) 29.3987360555 Nuclear Dipole moment (a.u.) ---------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT X Y Z ---------------- ---------------- ---------------- 0.0000000000 0.0000000000 0.0000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry information -------------------- Group name D4h Group number 28 Group order 16 No. of unique centers 1 Symmetry unique atoms 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem DFT Module ----------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Basis "ao basis" -> "ao basis" (spherical) ----- ne (Neon) --------- Exponent Coefficients -------------- --------------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] 1 S 9.99200000E+04 0.000086 1 S 1.49600000E+04 0.000669 Sending upstream hdr.cmd = CMD_STDOUT 1 S 3.39900000E+03 0.003518 1 S 9.58900000E+02 0.014667 1 S 3.11200000E+02 0.050962 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 S 1.11700000E+02 0.143744 1 S 4.33200000E+01 0.304562 1 S 1.78000000E+01 0.400105 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 S 7.50300000E+00 0.218644 2 S 9.99200000E+04 -0.000020 2 S 1.49600000E+04 -0.000158 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 S 3.39900000E+03 -0.000824 2 S 9.58900000E+02 -0.003500 2 S 3.11200000E+02 -0.012233 2 S 1.11700000E+02 -0.037017 2 S 4.33200000E+01 -0.086113 2 S 1.78000000E+01 -0.158381 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 S 7.50300000E+00 -0.114288 3 S 2.33700000E+00 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4 S 9.00100000E-01 1.000000 5 S 3.30100000E-01 1.000000 6 S 1.05400000E-01 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 7 P 9.96800000E+01 0.006566 7 P 2.31500000E+01 0.045979 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 7 P 7.10800000E+00 0.173419 8 P 2.44100000E+00 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 9 P 8.33900000E-01 1.000000 10 P 2.66200000E-01 1.000000 11 P 8.17800000E-02 1.000000 12 D 6.47100000E+00 1.000000 13 D 2.21300000E+00 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] 14 D 7.47000000E-01 1.000000 15 D 2.73000000E-01 1.000000 16 F 4.65700000E+00 1.000000 Sending upstream hdr.cmd = CMD_STDOUT 17 F 1.52400000E+00 1.000000 18 F 6.89000000E-01 1.000000 19 G 2.98300000E+00 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 20 G 1.22400000E+00 1.000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ne aug-cc-pvqz 20 80 6s5p4d3f2g [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Summary of "ao basis" -> "ao basis" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- Sending upstream hdr.cmd = CMD_STDOUT ne aug-cc-pvqz 20 80 6s5p4d3f2g [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of basis -------------------------- a1g 22 a1u 2 a2g 2 a2u 22 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT b1g 9 b1u 9 b2g 9 b2u 9 eg 38 eu 38 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Caching 1-el integrals [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT itol2e modified to match energy [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT convergence criterion. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT tol_rho modified to match energy [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT convergence criterion. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT General Information [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT SCF calculation type: DFT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Wavefunction type: spin polarized. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT No. of atoms : 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT No. of electrons : 19 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Alpha electrons : 10 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Beta electrons : 9 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Charge : 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Spin multiplicity: 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Use of symmetry is: on ; symmetry adaption is: on [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Maximum number of iterations: 50 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT This is a Direct SCF calculation. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT AO basis - number of functions: 160 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT number of shells: 40 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on energy requested: 1.00D-09 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on density requested: 1.00D-05 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on gradient requested: 5.00D-04 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT XC Information [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Using LibXC version 6.2.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Hartree-Fock (Exact) Exchange 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT hyb_gga_xc_wb97x 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Range-Separation Parameters --------------------------- Alpha : 0.16 Beta : 0.84 Sending upstream hdr.cmd = CMD_STDOUT Gamma : 0.30 Short-Range HF : F Grid Information ---------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid used for XC integration: xfine Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- ne 0.50 100 9.0 1454 Grid pruning is: on Number of quadrature shells: 100 Spatial weights used: Erf1 Convergence Information [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------------------- Density screening/tol_rho: 1.00D-12 AO Gaussian exp screening on grid/accAOfunc: 21 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-10 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Superposition of Atomic Density Guess ------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Sum of atomic energies: -257.08751146 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Renormalizing density from 20.00 to 19 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Non-variational initial energy ------------------------------ Total energy = -249.349641 1-e energy = -402.738947 2-e energy = 123.990570 HOMO = -1.371529 LUMO = -0.085748 Symmetry analysis of molecular orbitals - initial alpha ------------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT !! scf_movecs_sym_adapt: 38 vectors were symmetry contaminated Symmetry fudging [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT !! scf_movecs_sym_adapt: 36 vectors were symmetry contaminated [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Numbering of irreducible representations: 1 a1g 2 a1u 3 a2g 4 a2u 5 b1g 6 b1u 7 b2g 8 b2u 9 eg 10 eu Orbital symmetries: 1 a1g 2 a2u 3 a1g 4 a2u 5 a1g 6 eu 7 eu 8 eg 9 eg 10 a2u 11 a1g 12 a2u 13 eu 14 eu 15 a1g 16 eg 17 eg 18 a2u 19 b1g 20 b2g Symmetry analysis of molecular orbitals - initial beta ------------------------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT !! scf_movecs_sym_adapt: 38 vectors were symmetry contaminated [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry fudging [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT !! scf_movecs_sym_adapt: 36 vectors were symmetry contaminated [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Numbering of irreducible representations: 1 a1g 2 a1u 3 a2g 4 a2u 5 b1g 6 b1u 7 b2g 8 b2u 9 eg 10 eu Orbital symmetries: 1 a1g 2 a2u 3 a1g 4 a2u 5 a1g 6 eu 7 eu 8 eg 9 eg 10 a2u 11 a1g 12 a2u 13 eu 14 eu 15 a1g 16 eg 17 eg 18 a2u 19 b1g 20 b2g [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT WARNING: movecs_in_org=atomic not equal to movecs_in=./ne2p.movecs Time after variat. SCF: 27.5 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 27.5 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid_pts file = ./ne2p.gridpts.0 Record size in doubles = 12289 No. of grid_pts per rec = 3070 Max. records in memory = 28 Max. recs in file = 506625431 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT !! scf_movecs_sym_adapt: 2 vectors were symmetry contaminated [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry fudging [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Memory utilization after 1st SCF pass: Heap Space remaining (MW): 0.00 459 Stack Space remaining (MW): 26.21 26213020 Sending upstream hdr.cmd = CMD_STDOUT convergence iter energy DeltaE RMS-Dens Diis-err time ---------------- ----- ----------------- --------- --------- --------- ------ d= 0,ls=0.0,diis 1 -257.1651871100 -2.87D+02 7.84D-04 2.59D-01 65.8 9.34D-04 2.69D-01 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 2 -257.1884548278 -2.33D-02 3.43D-04 9.61D-02 102.6 2.92D-04 7.43D-02 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 3 -257.2024650109 -1.40D-02 2.35D-05 5.48D-04 145.5 5.00D-05 1.16D-03 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 4 -257.2026550592 -1.90D-04 8.20D-06 1.41D-05 189.2 6.54D-06 4.36D-06 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 5 -257.2026591055 -4.05D-06 6.69D-07 1.05D-07 233.4 8.98D-07 2.87D-07 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 6 -257.2026591723 -6.69D-08 1.75D-07 9.41D-09 277.5 2.02D-07 1.18D-08 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 7 -257.2026591757 -3.38D-09 2.71D-08 1.52D-10 321.5 2.77D-08 7.61D-11 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 8 -257.2026591758 -6.50D-11 3.82D-09 2.05D-12 364.5 3.76D-09 9.97D-13 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Total DFT energy = -257.202659175785 One electron energy = -413.719173859199 Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Coulomb energy = 151.565832473994 Exchange-Corr. energy = -24.448053846118 Nuclear repulsion energy = 29.398736055539 Numeric. integr. density = 18.999999999242 Total iterative time = 336.9s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Occupations of the irreducible representations ---------------------------------------------- Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT irrep alpha beta -------- -------- -------- a1g 3.0 3.0 a1u 0.0 0.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT a2g 0.0 0.0 a2u 3.0 2.0 b1g 0.0 0.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT b1u 0.0 0.0 b2g 0.0 0.0 b2u 0.0 0.0 eg 2.0 2.0 eu 2.0 2.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT alpha - beta orbital overlaps ----------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT alpha 1 2 3 4 5 6 7 8 9 10 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT beta 2 1 3 4 9 6 5 10 7 8 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT overlap 1.000 1.000 1.000 1.000 0.999 0.995 0.995 0.999 0.759 0.759 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT alpha 11 12 13 14 15 16 17 18 19 20 beta 11 12 14 13 15 16 17 18 19 20 overlap 1.000 1.000 0.850 0.850 1.000 0.746 0.746 1.000 1.000 1.000 alpha 21 22 23 24 25 26 27 28 29 30 beta 22 21 25 23 24 28 27 26 29 30 overlap 0.996 0.996 0.999 1.000 1.000 0.981 0.917 0.917 0.887 0.887 alpha 31 32 33 34 35 36 37 38 39 40 beta 31 33 32 34 35 36 37 39 38 40 overlap 0.981 0.968 0.968 1.000 1.000 1.000 1.000 0.986 0.986 0.998 alpha 41 42 43 44 45 46 47 48 49 50 beta 41 43 42 44 45 48 49 47 46 50 overlap 0.998 0.998 0.998 1.000 1.000 0.883 0.883 0.797 0.797 1.000 alpha 51 52 53 54 55 56 57 58 59 60 beta 51 52 53 54 56 55 57 58 59 60 overlap 0.829 0.829 0.988 0.988 1.000 1.000 1.000 0.996 0.996 0.999 alpha 61 62 63 64 65 66 67 68 69 70 beta 61 62 63 64 65 66 68 67 69 71 overlap 0.996 0.996 0.991 0.991 0.999 1.000 1.000 1.000 1.000 1.000 alpha 71 72 73 74 75 76 77 78 79 80 beta 70 73 72 74 75 76 77 78 79 80 overlap 1.000 0.926 0.926 1.000 1.000 1.000 1.000 0.823 0.823 1.000 alpha 81 82 83 84 85 86 87 88 89 90 beta 81 82 83 85 84 86 88 87 91 90 overlap 1.000 1.000 1.000 0.774 0.774 1.000 0.999 0.999 1.000 1.000 alpha 91 92 93 94 95 96 97 98 99 100 beta 89 93 92 95 94 98 99 96 97 100 overlap 1.000 1.000 1.000 1.000 1.000 0.836 0.836 0.950 0.950 0.945 alpha 101 102 103 104 105 106 107 108 109 110 beta 101 102 104 103 106 105 107 108 109 110 overlap 0.945 1.000 0.994 0.994 1.000 1.000 1.000 0.990 0.990 1.000 alpha 111 112 113 114 115 116 117 118 119 120 beta 111 112 113 114 115 116 117 118 119 120 overlap 0.939 0.939 0.934 0.934 1.000 1.000 1.000 1.000 0.892 0.892 alpha 121 122 123 124 125 126 127 128 129 130 beta 121 122 124 123 126 125 128 127 129 130 overlap 0.722 0.722 1.000 1.000 1.000 1.000 0.945 0.945 1.000 1.000 alpha 131 132 133 134 135 136 137 138 139 140 beta 131 132 133 134 135 136 138 137 139 140 overlap 1.000 1.000 0.989 0.989 1.000 1.000 0.997 0.997 0.867 0.867 alpha 141 142 143 144 145 146 147 148 149 150 beta 141 142 143 144 145 146 147 151 150 154 overlap 0.996 0.996 1.000 1.000 1.000 0.900 0.900 0.769 0.769 0.992 alpha 151 152 153 154 155 156 157 158 159 160 beta 148 149 152 153 155 157 156 158 159 160 overlap 1.000 1.000 1.000 1.000 0.992 0.711 0.711 1.000 1.000 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Expectation value of S2: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT = 0.7530 (Exact = 0.7500) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT center of mass [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT x = 0.00000000 y = 0.00000000 z = 0.00000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 115.658748167194 0.000000000000 0.000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0.000000000000 115.658748167194 0.000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0.000000000000 0.000000000000 0.000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT itol2e modified to match energy convergence criterion. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT General Information ------------------- SCF calculation type: DFT Wavefunction type: spin polarized. No. of atoms : 2 No. of electrons : 19 Alpha electrons : 10 Beta electrons : 9 Charge : 1 Spin multiplicity: 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Use of symmetry is: on ; symmetry adaption is: on Maximum number of iterations: 50 This is a Direct SCF calculation. AO basis - number of functions: 160 number of shells: 40 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on energy requested: 1.00D-09 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 XC Information -------------- Using LibXC version 6.2.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Hartree-Fock (Exact) Exchange 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT hyb_gga_xc_wb97x 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Range-Separation Parameters --------------------------- Alpha : 0.16 Beta : 0.84 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Gamma : 0.30 Short-Range HF : F Grid Information [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ---------------- Grid used for XC integration: xfine Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- ne 0.50 100 9.0 1454 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid pruning is: on Number of quadrature shells: 100 Spatial weights used: Erf1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence Information ----------------------- Convergence aids based upon iterative change in total energy or number of iterations. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------------------- Density screening/tol_rho: 1.00D-12 AO Gaussian exp screening on grid/accAOfunc: 21 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-10 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT intd_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem DFT Gradient Module -------------------------- charge = 1.00 wavefunction = open shell [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Using symmetry [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT intd_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT DFT ENERGY GRADIENTS atom coordinates gradient x y z x y z [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 1 ne 0.000000 0.000000 1.700753 0.000000 0.000000 0.002665 2 ne 0.000000 0.000000 -1.700753 0.000000 0.000000 -0.002665 ---------------------------------------- | Time | 1-e(secs) | 2-e(secs) | ---------------------------------------- | CPU | 0.38 | 1839.88 | ---------------------------------------- | WALL | 0.02 | 131.40 | ---------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT @ Step Energy Delta E Gmax Grms Xrms Xmax Walltime @ ---- ---------------- -------- -------- -------- -------- -------- -------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT @ 0 -257.20265918 0.0D+00 0.00267 0.00267 0.00000 0.00000 498.7 Z-matrix (autoz) -------- Units are Angstrom for bonds and degrees for angles Type Name I J K L M Value Gradient ----------- -------- ----- ----- ----- ----- ----- ---------- ---------- 1 Stretch 1 2 1.80000 0.00267 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem DFT Module ----------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types ---------------- ------------------------------ ------ --------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ne aug-cc-pvqz 20 80 6s5p4d3f2g [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Symmetry analysis of basis -------------------------- a1g 22 a1u 2 a2g 2 a2u 22 Sending upstream hdr.cmd = CMD_STDOUT b1g 9 b1u 9 b2g 9 b2u 9 eg 38 eu 38 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Caching 1-el integrals [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT itol2e modified to match energy convergence criterion. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] General Information ------------------- Sending upstream hdr.cmd = CMD_STDOUT SCF calculation type: DFT Wavefunction type: spin polarized. No. of atoms : 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT No. of electrons : 19 Alpha electrons : 10 Beta electrons : 9 Charge : 1 Spin multiplicity: 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Use of symmetry is: on ; symmetry adaption is: on Maximum number of iterations: 50 This is a Direct SCF calculation. AO basis - number of functions: 160 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT number of shells: 40 Convergence on energy requested: 1.00D-09 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT XC Information -------------- Using LibXC version 6.2.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Hartree-Fock (Exact) Exchange 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT hyb_gga_xc_wb97x 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Range-Separation Parameters --------------------------- Alpha : 0.16 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Beta : 0.84 Gamma : 0.30 Short-Range HF : F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid Information ---------------- Grid used for XC integration: xfine Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. --- ---------- --------- --------- --------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ne 0.50 100 9.0 1454 Grid pruning is: on Number of quadrature shells: 100 Spatial weights used: Erf1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence Information ----------------------- Convergence aids based upon iterative change in [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT total energy or number of iterations. Levelshifting, if invoked, occurs when the HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT dE on: start ASAP start dE off: 2 iters 50 iters 50 iters [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Screening Tolerance Information ------------------------------- Density screening/tol_rho: 1.00D-12 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT AO Gaussian exp screening on grid/accAOfunc: 21 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 Schwarz screening/accCoul: 1.00D-10 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial alpha ------------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Numbering of irreducible representations: 1 a1g 2 a1u 3 a2g 4 a2u 5 b1g 6 b1u 7 b2g 8 b2u 9 eg 10 eu Orbital symmetries: 1 a2u 2 a1g 3 a1g 4 a2u 5 a1g 6 eu 7 eu 8 a2u 9 eg 10 eg 11 a1g 12 a2u 13 eu 14 eu 15 a1g 16 eg 17 eg 18 a2u 19 b2g 20 b1g Symmetry analysis of molecular orbitals - initial beta ------------------------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Numbering of irreducible representations: 1 a1g 2 a1u 3 a2g 4 a2u 5 b1g 6 b1u 7 b2g 8 b2u 9 eg 10 eu Orbital symmetries: 1 a1g 2 a2u 3 a1g 4 a2u 5 eu 6 eu 7 eg 8 eg 9 a1g 10 a2u 11 a1g 12 a2u 13 eu 14 eu 15 a1g 16 eg 17 eg 18 a2u 19 b2g 20 b1g [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time after variat. SCF: 518.7 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 518.8 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid_pts file = ./ne2p.gridpts.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Record size in doubles = 12289 No. of grid_pts per rec = 3070 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Max. records in memory = 28 Max. recs in file = 506625431 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Memory utilization after 1st SCF pass: Heap Space remaining (MW): 0.00 459 Stack Space remaining (MW): 26.21 26213020 convergence iter energy DeltaE RMS-Dens Diis-err time ---------------- ----- ----------------- --------- --------- --------- ------ d= 0,ls=0.0,diis 1 -257.2026908945 -2.87D+02 6.56D-06 1.83D-05 563.2 6.39D-06 1.73D-05 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 2 -257.2026934745 -2.58D-06 8.80D-07 1.54D-07 607.9 1.15D-06 2.30D-07 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 3 -257.2026935485 -7.40D-08 2.28D-07 4.36D-08 652.3 2.23D-07 3.23D-08 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 4 -257.2026935560 -7.53D-09 7.41D-08 1.99D-09 695.8 9.82D-08 2.10D-09 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 5 -257.2026935567 -6.81D-10 1.29D-08 1.18D-10 739.6 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2.34D-08 1.72D-10 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Total DFT energy = -257.202693556668 One electron energy = -414.021117782492 Coulomb energy = 151.711950945543 Exchange-Corr. energy = -24.449523575629 Nuclear repulsion energy = 29.555996855911 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Numeric. integr. density = 18.999999999915 Total iterative time = 220.8s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Occupations of the irreducible representations [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ---------------------------------------------- irrep alpha beta -------- -------- -------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT a1g 3.0 3.0 a1u 0.0 0.0 a2g 0.0 0.0 a2u 3.0 2.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT b1g 0.0 0.0 b1u 0.0 0.0 b2g 0.0 0.0 b2u 0.0 0.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT eg 2.0 2.0 eu 2.0 2.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT alpha - beta orbital overlaps ----------------------------- alpha 1 2 3 4 5 6 7 8 9 10 beta 2 1 3 4 7 5 6 10 9 8 overlap 1.000 1.000 1.000 1.000 0.999 0.994 0.994 0.999 1.000 1.000 alpha 11 12 13 14 15 16 17 18 19 20 beta 11 12 13 14 15 16 17 18 19 20 overlap 1.000 1.000 0.886 0.886 1.000 0.993 0.993 1.000 1.000 1.000 alpha 21 22 23 24 25 26 27 28 29 30 beta 21 22 25 23 24 28 26 27 30 29 overlap 0.991 0.991 0.999 1.000 1.000 0.979 0.825 0.825 0.986 0.986 alpha 31 32 33 34 35 36 37 38 39 40 beta 31 32 33 34 35 36 37 38 39 40 overlap 0.980 0.998 0.998 1.000 1.000 1.000 1.000 0.996 0.996 0.999 alpha 41 42 43 44 45 46 47 48 49 50 beta 41 43 42 44 45 48 49 47 46 50 overlap 0.999 0.999 0.999 1.000 1.000 0.999 0.999 1.000 1.000 1.000 alpha 51 52 53 54 55 56 57 58 59 60 beta 52 51 54 53 55 56 57 59 58 60 overlap 0.994 0.994 0.930 0.930 1.000 1.000 1.000 0.948 0.948 0.999 alpha 61 62 63 64 65 66 67 68 69 70 beta 62 61 63 64 65 66 67 68 69 71 overlap 0.996 0.996 0.993 0.993 0.999 1.000 0.982 0.982 1.000 1.000 alpha 71 72 73 74 75 76 77 78 79 80 beta 70 72 73 74 75 76 77 78 79 80 overlap 1.000 0.707 0.707 1.000 1.000 1.000 1.000 1.000 1.000 1.000 alpha 81 82 83 84 85 86 87 88 89 90 beta 81 82 83 84 85 86 88 87 90 89 overlap 1.000 1.000 1.000 0.999 0.999 1.000 0.974 0.974 1.000 1.000 alpha 91 92 93 94 95 96 97 98 99 100 beta 91 93 92 95 94 96 97 99 98 101 overlap 1.000 1.000 1.000 1.000 1.000 0.730 0.730 0.964 0.964 0.965 alpha 101 102 103 104 105 106 107 108 109 110 beta 100 102 104 103 106 105 109 108 107 110 overlap 0.965 1.000 0.995 0.995 1.000 1.000 1.000 0.815 0.815 1.000 alpha 111 112 113 114 115 116 117 118 119 120 beta 112 111 114 113 115 116 117 118 119 120 overlap 0.982 0.982 0.997 0.997 1.000 1.000 1.000 1.000 0.773 0.773 alpha 121 122 123 124 125 126 127 128 129 130 beta 121 122 124 123 126 125 127 128 129 130 overlap 0.989 0.989 1.000 1.000 1.000 1.000 0.734 0.734 1.000 1.000 alpha 131 132 133 134 135 136 137 138 139 140 beta 131 132 133 134 135 136 137 138 140 139 overlap 1.000 1.000 0.750 0.750 1.000 1.000 0.960 0.960 0.908 0.908 alpha 141 142 143 144 145 146 147 148 149 150 beta 141 142 143 144 145 147 146 150 151 154 overlap 0.972 0.972 1.000 1.000 1.000 0.990 0.990 0.973 0.973 0.994 alpha 151 152 153 154 155 156 157 158 159 160 beta 148 149 152 153 155 156 157 158 159 160 overlap 1.000 1.000 1.000 1.000 0.994 0.985 0.985 1.000 1.000 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Expectation value of S2: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT = 0.7530 (Exact = 0.7500) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT center of mass [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT x = 0.00000000 y = 0.00000000 z = 0.00000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 114.431234258079 0.000000000000 0.000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0.000000000000 114.431234258079 0.000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0.000000000000 0.000000000000 0.000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Line search: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT step= 1.00 grad=-4.8D-05 hess= 1.4D-05 energy= -257.202694 mode=downhill [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT new step= 1.74 predicted energy= -257.202701 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT no constraints, skipping 0.0000000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------- Step 1 -------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Geometry "geometry" -> "ne2" ---------------------------- Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.) No. Tag Charge X Y Z ---- ---------------- ---------- -------------- -------------- -------------- 1 ne 10.0000 0.00000000 0.00000000 0.89166326 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 2 ne 10.0000 0.00000000 0.00000000 -0.89166326 Atomic Mass ----------- ne 19.992440 Effective nuclear repulsion energy (a.u.) 29.6736039483 Nuclear Dipole moment (a.u.) ---------------------------- X Y Z ---------------- ---------------- ---------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0.0000000000 0.0000000000 0.0000000000 Symmetry information -------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Group name D4h Group number 28 Group order 16 No. of unique centers 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry unique atoms 1 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT NWChem DFT Module ----------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Summary of "ao basis" -> "ao basis" (spherical) ------------------------------------------------------------------------------ Tag Description Shells Functions and Types [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ---------------- ------------------------------ ------ --------------------- ne aug-cc-pvqz 20 80 6s5p4d3f2g [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Symmetry analysis of basis -------------------------- a1g 22 a1u 2 a2g 2 a2u 22 b1g 9 b1u 9 b2g 9 b2u 9 eg 38 eu 38 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Caching 1-el integrals [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT itol2e modified to match energy convergence criterion. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT General Information ------------------- SCF calculation type: DFT Wavefunction type: spin polarized. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT No. of atoms : 2 No. of electrons : 19 Alpha electrons : 10 Beta electrons : 9 Charge : 1 Spin multiplicity: 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Use of symmetry is: on ; symmetry adaption is: on Maximum number of iterations: 50 This is a Direct SCF calculation. AO basis - number of functions: 160 number of shells: 40 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on energy requested: 1.00D-09 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT XC Information -------------- Using LibXC version 6.2.2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Hartree-Fock (Exact) Exchange 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT hyb_gga_xc_wb97x 1.000 Range-Separation Parameters [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT --------------------------- Alpha : 0.16 Beta : 0.84 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Gamma : 0.30 Short-Range HF : F Grid Information ---------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid used for XC integration: xfine Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT --- ---------- --------- --------- --------- ne 0.50 100 9.0 1454 Grid pruning is: on [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Number of quadrature shells: 100 Spatial weights used: Erf1 Convergence Information ----------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information ------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Density screening/tol_rho: 1.00D-12 AO Gaussian exp screening on grid/accAOfunc: 21 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Schwarz screening/accCoul: 1.00D-10 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Loading old vectors from job with title : Symmetry analysis of molecular orbitals - initial alpha ------------------------------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Numbering of irreducible representations: 1 a1g 2 a1u 3 a2g 4 a2u 5 b1g 6 b1u 7 b2g 8 b2u 9 eg 10 eu Orbital symmetries: 1 a2u 2 a1g 3 a1g 4 a2u 5 a1g 6 eu 7 eu 8 a2u 9 eg 10 eg 11 a1g 12 a2u 13 eu 14 eu 15 a1g 16 eg 17 eg 18 a2u 19 b2g 20 b1g Symmetry analysis of molecular orbitals - initial beta ------------------------------------------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Numbering of irreducible representations: 1 a1g 2 a1u 3 a2g 4 a2u 5 b1g 6 b1u 7 b2g 8 b2u 9 eg 10 eu Orbital symmetries: 1 a1g 2 a2u 3 a1g 4 a2u 5 eu 6 eu 7 a1g 8 eg 9 eg 10 a2u 11 a1g 12 a2u 13 eu 14 eu 15 a1g 16 eg 17 eg 18 a2u 19 b2g 20 b1g [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time after variat. SCF: 759.6 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Time prior to 1st pass: 759.6 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid_pts file = ./ne2p.gridpts.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Record size in doubles = 12289 No. of grid_pts per rec = 3070 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Max. records in memory = 28 Max. recs in file = 506625431 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Memory utilization after 1st SCF pass: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Heap Space remaining (MW): 0.00 459 Stack Space remaining (MW): 26.21 26213020 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT convergence iter energy DeltaE RMS-Dens Diis-err time [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ---------------- ----- ----------------- --------- --------- --------- ------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 1 -257.2026990001 -2.87D+02 4.96D-06 1.05D-05 803.5 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 4.85D-06 9.86D-06 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 2 -257.2027004734 -1.47D-06 6.66D-07 8.62D-08 848.0 8.70D-07 1.30D-07 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 3 -257.2027005157 -4.23D-08 1.71D-07 2.42D-08 891.7 1.67D-07 1.78D-08 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 4 -257.2027005199 -4.20D-09 5.60D-08 1.13D-09 936.0 7.44D-08 1.20D-09 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT d= 0,ls=0.0,diis 5 -257.2027005202 -3.87D-10 9.72D-09 6.78D-11 979.6 1.75D-08 9.78D-11 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Total DFT energy = -257.202700520245 One electron energy = -414.246974974355 Coulomb energy = 151.821319141136 Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Exchange-Corr. energy = -24.450648635315 Nuclear repulsion energy = 29.673603948288 Numeric. integr. density = 19.000000000476 Total iterative time = 220.0s [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Occupations of the irreducible representations ---------------------------------------------- irrep alpha beta -------- -------- -------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT a1g 3.0 3.0 a1u 0.0 0.0 a2g 0.0 0.0 a2u 3.0 2.0 b1g 0.0 0.0 b1u 0.0 0.0 b2g 0.0 0.0 b2u 0.0 0.0 eg 2.0 2.0 eu 2.0 2.0 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT alpha - beta orbital overlaps ----------------------------- alpha 1 2 3 4 5 6 7 8 9 10 beta 2 1 3 4 7 5 6 10 8 9 overlap 1.000 1.000 1.000 1.000 0.999 0.994 0.994 0.999 1.000 1.000 alpha 11 12 13 14 15 16 17 18 19 20 beta 11 12 14 13 15 17 16 18 19 20 overlap 1.000 1.000 0.950 0.950 1.000 0.995 0.995 1.000 1.000 1.000 alpha 21 22 23 24 25 26 27 28 29 30 beta 21 22 25 23 24 28 26 27 29 30 overlap 1.000 1.000 0.999 1.000 1.000 0.980 1.000 1.000 1.000 1.000 alpha 31 32 33 34 35 36 37 38 39 40 beta 31 32 33 34 35 36 37 39 38 40 overlap 0.980 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 0.999 alpha 41 42 43 44 45 46 47 48 49 50 beta 41 43 42 44 45 48 49 47 46 50 overlap 0.999 0.999 0.999 1.000 1.000 1.000 1.000 0.997 0.997 1.000 alpha 51 52 53 54 55 56 57 58 59 60 beta 51 52 53 54 55 56 57 59 58 60 overlap 0.998 0.998 1.000 1.000 1.000 1.000 1.000 0.999 0.999 0.999 alpha 61 62 63 64 65 66 67 68 69 70 beta 62 61 63 64 65 66 68 67 69 70 overlap 0.999 0.999 1.000 1.000 0.999 1.000 0.815 0.815 1.000 1.000 alpha 71 72 73 74 75 76 77 78 79 80 beta 71 72 73 74 75 76 77 78 79 80 overlap 1.000 0.963 0.963 1.000 1.000 1.000 1.000 0.732 0.732 1.000 alpha 81 82 83 84 85 86 87 88 89 90 beta 81 82 83 85 84 86 88 87 90 89 overlap 1.000 1.000 1.000 0.997 0.997 1.000 1.000 1.000 1.000 1.000 alpha 91 92 93 94 95 96 97 98 99 100 beta 91 93 92 95 94 96 97 99 98 100 overlap 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 alpha 101 102 103 104 105 106 107 108 109 110 beta 101 102 104 103 106 105 109 107 108 110 overlap 1.000 1.000 0.995 0.995 1.000 1.000 1.000 1.000 1.000 1.000 alpha 111 112 113 114 115 116 117 118 119 120 beta 112 111 114 113 115 116 117 118 119 120 overlap 0.973 0.973 0.998 0.998 1.000 1.000 1.000 1.000 0.993 0.993 alpha 121 122 123 124 125 126 127 128 129 130 beta 122 121 124 123 126 125 127 128 129 130 overlap 0.998 0.998 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 alpha 131 132 133 134 135 136 137 138 139 140 beta 131 132 134 133 135 136 138 137 140 139 overlap 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 0.999 0.999 alpha 141 142 143 144 145 146 147 148 149 150 beta 141 142 143 144 145 146 147 151 150 154 overlap 1.000 1.000 1.000 1.000 1.000 0.963 0.963 0.999 0.999 0.995 alpha 151 152 153 154 155 156 157 158 159 160 beta 148 149 152 153 155 156 157 158 159 160 overlap 1.000 1.000 1.000 1.000 0.995 0.993 0.993 1.000 1.000 1.000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Expectation value of S2: [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT = 0.7530 (Exact = 0.7500) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT center of mass [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT -------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT x = 0.00000000 y = 0.00000000 z = 0.00000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT moments of inertia (a.u.) [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT ------------------ [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 113.525968050438 0.000000000000 0.000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0.000000000000 113.525968050438 0.000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT 0.000000000000 0.000000000000 0.000000000000 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT itol2e modified to match energy convergence criterion. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] General Information ------------------- SCF calculation type: DFT Wavefunction type: spin polarized. Sending upstream hdr.cmd = CMD_STDOUT No. of atoms : 2 No. of electrons : 19 Alpha electrons : 10 Beta electrons : 9 Charge : 1 Spin multiplicity: 2 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Use of symmetry is: on ; symmetry adaption is: on Maximum number of iterations: 50 This is a Direct SCF calculation. AO basis - number of functions: 160 number of shells: 40 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence on energy requested: 1.00D-09 Convergence on density requested: 1.00D-05 Convergence on gradient requested: 5.00D-04 [proxy:0:0@builder1.x64.stream.opencloudos.tech] XC Information -------------- Using LibXC version 6.2.2 Sending upstream hdr.cmd = CMD_STDOUT [proxy:0:0@builder1.x64.stream.opencloudos.tech] Hartree-Fock (Exact) Exchange 1.000 Sending upstream hdr.cmd = CMD_STDOUT hyb_gga_xc_wb97x 1.000 Range-Separation Parameters [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT --------------------------- Alpha : 0.16 Beta : 0.84 Gamma : 0.30 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Short-Range HF : F Grid Information ---------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Grid used for XC integration: xfine Radial quadrature: Mura-Knowles Angular quadrature: Lebedev. Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT --- ---------- --------- --------- --------- ne 0.50 100 9.0 1454 Grid pruning is: on [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Number of quadrature shells: 100 Spatial weights used: Erf1 Convergence Information ----------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Convergence aids based upon iterative change in total energy or number of iterations. Levelshifting, if invoked, occurs when the [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT HOMO/LUMO gap drops below (HL_TOL): 1.00D-02 DIIS, if invoked, will attempt to extrapolate using up to (NFOCK): 10 stored Fock matrices. [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Damping( 0%) Levelshifting(0.5) DIIS --------------- ------------------- --------------- dE on: start ASAP start dE off: 2 iters 50 iters 50 iters Screening Tolerance Information ------------------------------- [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Density screening/tol_rho: 1.00D-12 AO Gaussian exp screening on grid/accAOfunc: 21 CD Gaussian exp screening on grid/accCDfunc: 20 XC Gaussian exp screening on grid/accXCfunc: 20 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Schwarz screening/accCoul: 1.00D-10 [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT intd_init: cando_txs set to always be F NWChem DFT Gradient Module -------------------------- charge = 1.00 wavefunction = open shell [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT Using symmetry [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT int_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_STDOUT intd_init: cando_txs set to always be F [proxy:0:0@builder1.x64.stream.opencloudos.tech] Sending upstream hdr.cmd = CMD_EXIT_STATUS =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = PID 720750 RUNNING AT builder1.x64.stream.opencloudos.tech = EXIT CODE: 15 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES =================================================================================== YOUR APPLICATION TERMINATED WITH THE EXIT STRING: Terminated (signal 15) This typically refers to a problem with your application. Please see the FAQ page for debugging suggestions ################################################################################ + printf '#%.0s' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 + echo + test -r ../testoutputs.dolibxctests.mpi.2_mpich.log/libxc_ne2p_wb97x.out.nwparse + cat ../testoutputs.dolibxctests.mpi.2_mpich.log/libxc_ne2p_wb97x.err + cd .. + rm -rf QA + . /etc/profile.d/modules.sh ++ . /etc/profile.d/00-modulepath.sh +++ '[' -z /etc/modulefiles:/usr/share/modulefiles:/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core ']' +++ : ++ '[' -z '' ']' ++ LMOD_ALLOW_ROOT_USE=yes ++ '[' -n '' ']' ++ '[' yes '!=' yes ']' ++ '[' -z /usr/share/modulefiles ']' ++ findExec READLINK_CMD /usr/bin/readlink readlink ++ Nm=READLINK_CMD ++ confPath=/usr/bin/readlink ++ execNm=readlink ++ eval READLINK_CMD=/usr/bin/readlink +++ READLINK_CMD=/usr/bin/readlink ++ '[' '!' -x /usr/bin/readlink ']' ++ unset Nm confPath execNm ++ findExec PS_CMD /usr/bin/ps ps ++ Nm=PS_CMD ++ confPath=/usr/bin/ps ++ execNm=ps ++ eval PS_CMD=/usr/bin/ps +++ PS_CMD=/usr/bin/ps ++ '[' '!' -x /usr/bin/ps ']' ++ unset Nm confPath execNm ++ findExec EXPR_CMD /usr/bin/expr expr ++ Nm=EXPR_CMD ++ confPath=/usr/bin/expr ++ execNm=expr ++ eval EXPR_CMD=/usr/bin/expr +++ EXPR_CMD=/usr/bin/expr ++ '[' '!' -x /usr/bin/expr ']' ++ unset Nm confPath execNm ++ findExec BASENAME_CMD /usr/bin/basename basename ++ Nm=BASENAME_CMD ++ confPath=/usr/bin/basename ++ execNm=basename ++ eval BASENAME_CMD=/usr/bin/basename +++ BASENAME_CMD=/usr/bin/basename ++ '[' '!' -x /usr/bin/basename ']' ++ unset Nm confPath execNm ++ unset -f findExec ++ '[' -f /proc/661228/exe ']' +++ /usr/bin/readlink /proc/661228/exe ++ my_shell=/usr/bin/bash +++ /usr/bin/expr /usr/bin/bash : '-*\(.*\)' ++ my_shell=/usr/bin/bash +++ /usr/bin/basename /usr/bin/bash ++ my_shell=bash ++ case ${my_shell} in ++ '[' -f /usr/share/lmod/lmod/init/bash ']' ++ . /usr/share/lmod/lmod/init/bash +++ '[' -z '' ']' +++ case "$-" in +++ __lmod_vx=x +++ '[' -n x ']' +++ set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for this output (/usr/share/lmod/lmod/init/bash) Shell debugging restarted +++ unset __lmod_vx ++ unset my_shell PS_CMD EXPR_CMD BASENAME_CMD MODULEPATH_INIT LMOD_ALLOW_ROOT_USE READLINK_CMD + module unload mpi/mpich-x86_64 + '[' -z '' ']' + case "$-" in + __lmod_sh_dbg=x + '[' -n x ']' + set +x Shell debugging temporarily silenced: export LMOD_SH_DBG_ON=1 for Lmod's output Shell debugging restarted + unset __lmod_sh_dbg + return 0 + mv QA.orig QA + RPM_EC=0 ++ jobs -p + exit 0 Processing files: nwchem-7.2.2-1.ocs23.x86_64 Processing files: nwchem-openmpi-7.2.2-1.ocs23.x86_64 Provides: nwchem-openmpi = 7.2.2-1.ocs23 nwchem-openmpi(x86-64) = 7.2.2-1.ocs23 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/bash libarmci.so.0()(64bit)(openmpi-x86_64) libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.33)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.7)(64bit) libcomex.so.0()(64bit)(openmpi-x86_64) libflexiblas.so.3()(64bit) libga.so.1()(64bit)(openmpi-x86_64) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.4)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_10)(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libm.so.6(GLIBC_2.27)(64bit) libm.so.6(GLIBC_2.29)(64bit) libmpi.so.40()(64bit)(openmpi-x86_64) libmpi_mpifh.so.40()(64bit)(openmpi-x86_64) libmpi_usempi_ignore_tkr.so.40()(64bit)(openmpi-x86_64) libmpi_usempif08.so.40()(64bit)(openmpi-x86_64) libmvec.so.1()(64bit) libmvec.so.1(GLIBC_2.22)(64bit) libmvec.so.1(GLIBC_2.35)(64bit) libopenblas.so.0()(64bit) libpython3.11.so.1.0()(64bit) libquadmath.so.0()(64bit) libscalapack.so.2()(64bit)(openmpi-x86_64) libxc.so.12()(64bit) libxcf03.so.12()(64bit) rtld(GNU_HASH) Processing files: nwchem-mpich-7.2.2-1.ocs23.x86_64 Provides: nwchem-mpich = 7.2.2-1.ocs23 nwchem-mpich(x86-64) = 7.2.2-1.ocs23 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/bash libarmci.so.0()(64bit)(mpich-x86_64) libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.33)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.7)(64bit) libcomex.so.0()(64bit)(mpich-x86_64) libflexiblas.so.3()(64bit) libga.so.1()(64bit)(mpich-x86_64) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.4)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_10)(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libm.so.6(GLIBC_2.27)(64bit) libm.so.6(GLIBC_2.29)(64bit) libmpi.so.12()(64bit)(mpich-x86_64) libmpifort.so.12()(64bit)(mpich-x86_64) libmvec.so.1()(64bit) libmvec.so.1(GLIBC_2.22)(64bit) libmvec.so.1(GLIBC_2.35)(64bit) libopenblas.so.0()(64bit) libpython3.11.so.1.0()(64bit) libquadmath.so.0()(64bit) libscalapack.so.2()(64bit)(mpich-x86_64) libxc.so.12()(64bit) libxcf03.so.12()(64bit) rtld(GNU_HASH) Processing files: nwchem-common-7.2.2-1.ocs23.noarch Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.HPfo8J + umask 022 + cd /builddir/build/BUILD + cd nwchem-74936fb92aec6990ce48bf334747215813684576 + DOCDIR=/builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/doc/nwchem-common + export LC_ALL=C + LC_ALL=C + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/doc/nwchem-common + cp -pr LICENSE.TXT /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64/usr/share/doc/nwchem-common + RPM_EC=0 ++ jobs -p + exit 0 Provides: config(nwchem-common) = 7.2.2-1.ocs23 nwchem-common = 7.2.2-1.ocs23 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: nwchem-debugsource-7.2.2-1.ocs23.x86_64 Provides: nwchem-debugsource = 7.2.2-1.ocs23 nwchem-debugsource(x86-64) = 7.2.2-1.ocs23 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: nwchem-openmpi-debuginfo-7.2.2-1.ocs23.x86_64 Provides: debuginfo(build-id) = fa6b543db08acbc3c2023b235b0b75295e84ff47 nwchem-openmpi-debuginfo = 7.2.2-1.ocs23 nwchem-openmpi-debuginfo(x86-64) = 7.2.2-1.ocs23 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: nwchem-debugsource(x86-64) = 7.2.2-1.ocs23 Processing files: nwchem-mpich-debuginfo-7.2.2-1.ocs23.x86_64 Provides: debuginfo(build-id) = 43e2fda4342486e7a215c19a11d203390dc2d71d nwchem-mpich-debuginfo = 7.2.2-1.ocs23 nwchem-mpich-debuginfo(x86-64) = 7.2.2-1.ocs23 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: nwchem-debugsource(x86-64) = 7.2.2-1.ocs23 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/nwchem-7.2.2-1.ocs23.x86_64 Wrote: /builddir/build/RPMS/nwchem-7.2.2-1.ocs23.x86_64.rpm Wrote: /builddir/build/RPMS/nwchem-openmpi-debuginfo-7.2.2-1.ocs23.x86_64.rpm Wrote: /builddir/build/RPMS/nwchem-mpich-debuginfo-7.2.2-1.ocs23.x86_64.rpm Wrote: /builddir/build/RPMS/nwchem-debugsource-7.2.2-1.ocs23.x86_64.rpm Wrote: /builddir/build/RPMS/nwchem-common-7.2.2-1.ocs23.noarch.rpm Wrote: /builddir/build/RPMS/nwchem-openmpi-7.2.2-1.ocs23.x86_64.rpm Wrote: /builddir/build/RPMS/nwchem-mpich-7.2.2-1.ocs23.x86_64.rpm Child return code was: 0