dl_poly-1.10-1.ocs23 | Build Info

Information for build dl_poly-1.10-1.ocs23

14813

Package Name

dl_poly

Version

1.10

Release

1.ocs23

Epoch

Source

git+https://gitee.com/opencloudos-stream/dl_poly?.#7569b0c355b0e5bd7db92eb046fe0bf03105de5f

Summary

General purpose classical molecular dynamics (MD) simulation

Description

DL_POLY Classic is a general purpose molecular dynamics simulation package developed at Daresbury Laboratory by W. Smith, T.R. Forester and I.T. Todorov. It is based on the package DL_POLY_2, which was originally developed by the Computational Chemistry Group, (CCG) at Daresbury Laboratory under the auspices of the Engineering and Physical Sciences Research Council (EPSRC) for (CCP5), the EPSRC's Collaborative Computational Project for the Computer Simulation of Condensed Phases. DL_POLY Classic achieves parallelisation using the Replicated Data strategy which is suitable for homogeneous, distributed-memory, parallel computers. The code is useful for simulations of up to 30,000 atoms with good parallel performance on up to 100 processors, though in some circumstances it can exceed or fail to reach these limits. Reference: I.T. Todorov, W. Smith, K. Trachenko & M.T. Dove, Journal of Materials Chemistry, (2006) 16, 1911-1918

Built by

fanjunkong

State

complete

Volume

DEFAULT

Started

Wed, 14 Aug 2024 19:57:03 CST

Completed

Wed, 14 Aug 2024 20:01:47 CST

Task

build (dist-ocs23-epol9, /opencloudos-stream/dl_poly:.:origin/master)

Extra

{'source': {'original_url': 'git+https://gitee.com/opencloudos-stream/dl_poly?.#origin/master'}}

Tags

dist-ocs23

dist-ocs23-epol9

epol9-test-compose

RPMs

src
	dl_poly-1.10-1.ocs23.src.rpm (info) (download)
aarch64
	dl_poly-mpich-1.10-1.ocs23.aarch64.rpm (info) (download)
	dl_poly-openmpi-1.10-1.ocs23.aarch64.rpm (info) (download)
	dl_poly-debugsource-1.10-1.ocs23.aarch64.rpm (info) (download)
	dl_poly-mpich-debuginfo-1.10-1.ocs23.aarch64.rpm (info) (download)
	dl_poly-openmpi-debuginfo-1.10-1.ocs23.aarch64.rpm (info) (download)
noarch
	dl_poly-common-1.10-1.ocs23.noarch.rpm (info) (download)
	dl_poly-doc-1.10-1.ocs23.noarch.rpm (info) (download)
	dl_poly-gui-1.10-1.ocs23.noarch.rpm (info) (download)
x86_64
	dl_poly-mpich-1.10-1.ocs23.x86_64.rpm (info) (download)
	dl_poly-openmpi-1.10-1.ocs23.x86_64.rpm (info) (download)
	dl_poly-debugsource-1.10-1.ocs23.x86_64.rpm (info) (download)
	dl_poly-mpich-debuginfo-1.10-1.ocs23.x86_64.rpm (info) (download)
	dl_poly-openmpi-debuginfo-1.10-1.ocs23.x86_64.rpm (info) (download)

Logs

x86_64
	installed_pkgs.log
	build.log
	state.log
	hw_info.log
	root.log
	mock_output.log
	noarch_rpmdiff.json
aarch64
	root.log
	state.log
	installed_pkgs.log
	hw_info.log
	build.log
	mock_output.log
	noarch_rpmdiff.json

Changelog

* Wed Aug 14 2024 OpenCloudOS Release Engineering <releng@opencloudos.tech> - 1.10-1 - initial build

Main Site Links:

Information for build dl_poly-1.10-1.ocs23