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| Name: dl_poly-openmpi | Distribution: Fedora Project |
| Version: 1.10 | Vendor: Fedora Project |
| Release: 19.fc39 | Build date: Wed Jul 19 19:41:12 2023 |
| Group: Unspecified | Build host: buildhw-x86-13.iad2.fedoraproject.org |
| Size: 2425001 | Source RPM: dl_poly-1.10-19.fc39.src.rpm |
| Packager: Fedora Project | |
| Url: https://gitlab.com/DL_POLY_Classic | |
| Summary: General purpose classical molecular dynamics (MD) simulation - openmpi version | |
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 This is a parallel version using openmpi.
BSD-3-Clause
* Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1.10-19 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1.10-18 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Fri Sep 09 2022 Dave Love <loveshack@fedoraproject.org> - 1.10-17 - Use SPDX licence TAG * Mon Aug 08 2022 Dave Love <loveshack@fedoraproject.org> - 1.10-16 - Don't install GUI doc in noarch doc package (#2114382) * Thu Jul 21 2022 Fedora Release Engineering <releng@fedoraproject.org> - 1.10-15 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Tue Jul 05 2022 Dave Love <loveshack@fedoraproject.org> - 1.10-14 - Conditionalize java to avoid i686 - Remove el6 conditionals * Sat Feb 05 2022 Jiri Vanek <jvanek@redhat.com> - 1.10-13 - Rebuilt for java-17-openjdk as system jdk * Thu Jan 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 1.10-12 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Wed Jul 21 2021 Fedora Release Engineering <releng@fedoraproject.org> - 1.10-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild
/usr/lib/.build-id /usr/lib/.build-id/ce /usr/lib/.build-id/ce/f383e8bfa89c533e7c0fa0b50157f600065b7d /usr/lib64/openmpi/bin/dl_poly_openmpi
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Fabrice Bellet, Tue Apr 30 00:06:39 2024