-------------------------------------------------------------------------------- Fedora Update Notification None 2015-08-27 17:56:49.069626 --------------------------------------------------------------------------------
Name : dl_poly Product : Fedora 23 Version : 1.9.20140324 Release : 14.fc23 URL : http://www.ccp5.ac.uk/DL_POLY_CLASSIC/ 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 can be executed as a serial or a parallel application. The code 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 serial version.
-------------------------------------------------------------------------------- Update Information:
This update implements the "RPM MPI Requires Provides" F23 Change. Packages which use openmpi automatically get dependencies on libmpi.so and other libraries which are only satisfied by the openmpi stack, and packages which use mpich get a dependcencies on libmpi.so and other libraries which are only satisfied by mpich stack. https://fedoraproject.org/wiki/Changes/RpmMPIReqProv -------------------------------------------------------------------------------- References:
[ 1 ] Bug #1238428 - RPM MPI Requires Provides https://bugzilla.redhat.com/show_bug.cgi?id=1238428 --------------------------------------------------------------------------------
This update can be installed with the "yum" update program. Use su -c 'yum update dl_poly' at the command line. For more information, refer to "Managing Software with yum", available at https://docs.fedoraproject.org/yum/.
All packages are signed with the Fedora Project GPG key. More details on the GPG keys used by the Fedora Project can be found at https://fedoraproject.org/keys --------------------------------------------------------------------------------
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