Fedora Packages

dl_poly-openmpi Subpackage of dl_poly

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.

Releases Overview

Release Stable Testing
Fedora Rawhide 1.10-18.fc38 -
Fedora 37 1.10-13.fc36 -
Fedora 36 1.10-13.fc36 -
EPEL 8 1.10-12.el8 -
EPEL 7 1.9.20140324-19.el7 -
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You can contact the maintainers of this package via email at dl_poly dash maintainers at fedoraproject dot org.



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