cp2k-openmpi-3.0-4.fc25.x86_64.rpm


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Description

cp2k-openmpi - Molecular simulations software - openmpi version

Distribution: Fedora 25
Repository: Fedora x86_64
Package name: cp2k-openmpi
Package version: 3.0
Package release: 4.fc25
Package architecture: x86_64
Package type: rpm
Installed size: 49.63 MB
Download size: 13.56 MB
Official Mirror: dl.fedoraproject.org
CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. CP2K does not implement Car-Parinello Molecular Dynamics (CPMD). This package contains the parallel single- and multi-threaded versions using OpenMPI.

Alternatives

Provides

  • cp2k-openmpi = 3.0-4.fc25
  • cp2k-openmpi(x86-64) = 3.0-4.fc25

    Download

    Install Howto

    Install the cp2k-openmpi rpm package:

    # dnf install cp2k-openmpi

    Files

    • /usr/lib64/openmpi/bin/cp2k.popt_openmpi
    • /usr/lib64/openmpi/bin/cp2k.psmp_openmpi
    • /usr/lib64/openmpi/bin/cp2k_shell.popt_openmpi
    • /usr/lib64/openmpi/bin/cp2k_shell.psmp_openmpi
    • /usr/lib64/openmpi/lib/cp2k/libclsmm.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libclsmm.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kacc.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kacc.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kaccmic.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kaccmic.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kaccopencl.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kaccopencl.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kao.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kao.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kbase.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kbase.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kcommon.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kcommon.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kdbcsrwrap.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kdbcsrwrap.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kemd.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kemd.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kfft.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kfft.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kfm.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kfm.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kgrid.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kgrid.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2khfxbase.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2khfxbase.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kinput.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kinput.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kmain.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kmain.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kmc.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kmc.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kmetadyn_tools.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kmetadyn_tools.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kmotion.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kmotion.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kmpiwrap.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kmpiwrap.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kpw.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kpw.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kstart.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kstart.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2ksubsys.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2ksubsys.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kswarm.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kswarm.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kthermostat.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kthermostat.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2ktmc.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2ktmc.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kxc.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libcp2kxc.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsr.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsr.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrarnoldi.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrarnoldi.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrbase.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrbase.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrbblock.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrbblock.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrbdist.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrbdist.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrdata.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrdata.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrerr.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrerr.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrmm.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrmm.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrops.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrops.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrvec.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libdbcsrvec.psmp.so
    • /usr/lib64/openmpi/lib/cp2k/libmicsmm.popt.so
    • /usr/lib64/openmpi/lib/cp2k/libmicsmm.psmp.so

    Changelog

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