cp2k
Software Description
From cp2k.org: CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.
Info
Module Name
cp2k
Last Updated On
08/29/2023
Support Level
Primary Support
Software Access Level
Open Access
Home Page
Documentation
Software Description
From cp2k.org: CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.
General Linux
To load this module for use in a Linux environment, you can run the command:
module load cp2k
Depending on where you are working, there may be more than one version of cp2k available. To see which modules are available for loading you can run:
module avail cp2k
Agate Modules
Default
testing.7.1-ompi-3.1.6
Other Modules
6.1-centos7, 8.1-mvapich-2.3.5, 8.1-ompi-3.1.6, 9714a7-ompi-3.1.6, testing.7.1-ompi-3.1.6, 2.6.1-impi-intel, ompi-intel12
Mangi Modules
Default
testing.7.1-ompi-3.1.6
Other Modules
6.1-centos7, 8.1-mvapich-2.3.5, 8.1-ompi-3.1.6, 9714a7-ompi-3.1.6, testing.7.1-ompi-3.1.6, 2.6.1-impi-intel, ompi-intel12
Mesabi Modules
Default
testing.7.1-ompi-3.1.6
Other Modules
6.1-centos7, 8.1-mvapich-2.3.5, 8.1-ompi-3.1.6, 9714a7-ompi-3.1.6, testing.7.1-ompi-3.1.6, 2.6.1-impi-intel, ompi-intel12