dl_poly-openmpi - General purpose classical molecular dynamics (MD) simulation - openmpi version

Distribution: Fedora 25
Repository: Fedora x86_64
Package name: dl_poly-openmpi
Package version: 1.9.20140324
Package release: 16.fc24
Package architecture: x86_64
Package type: rpm
Installed size: 2.46 MB
Download size: 1.01 MB
Official Mirror: dl.fedoraproject.org
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 parallel version using openmpi.



  • dl_poly-openmpi = 1.9.20140324-16.fc24
  • dl_poly-openmpi(x86-64) = 1.9.20140324-16.fc24

    Install Howto

    Install the dl_poly-openmpi rpm package:

    # dnf install dl_poly-openmpi


    • /usr/lib64/openmpi/bin/dl_poly_openmpi