-------------------------------------------------------------------------------- Fedora EPEL Update Notification FEDORA-EPEL-2018-cf10f534d8 2018-12-22 02:10:57.516137 --------------------------------------------------------------------------------
Name : dl_poly Product : Fedora EPEL 7 Version : 1.9.20140324 Release : 19.el7 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:
Adds an openmpi3 version. --------------------------------------------------------------------------------
This update can be installed with the "yum" update programs. Use su -c 'yum update dl_poly' at the command line. For more information, refer to "YUM", available at https://access.redhat.com/documentation/en-US/Red_Hat_Enterprise_Linux/7%5C /html/System_Administrators_Guide/ch-yum.html
All packages are signed with the Fedora EPEL GPG key. More details on the GPG keys used by the Fedora Project can be found at https://fedoraproject.org/keys --------------------------------------------------------------------------------