CP2K

Software Summary

Mesabi

Default Module: 

testing.7.1-ompi-3.1.6

Other Modules Available: 

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, 2022.2-ompi-4.1.5, 2024.2-ompi-4.1.5, 2.6.1-impi-intel, ompi-intel12

Last Updated On: 

Wednesday, September 11, 2024

Mesabi K40

Default Module: 
Other Modules Available: 
Last Updated On: 

Mangi

Default Module: 
testing.7.1-ompi-3.1.6
Other Modules Available: 

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, 2022.2-ompi-4.1.5, 2024.2-ompi-4.1.5, 2.6.1-impi-intel, ompi-intel12

Last Updated On: 

Wednesday, September 11, 2024

Mangi v100

Default Module: 
Other Modules Available: 
Last Updated On: 

NICE

Default Module: 
Other Versions Available: 
Last Updated On: 
Last Updated On: 

Wednesday, September 11, 2024

Support Level: 
Primary Support
Software Access Level: 
Open Access
Home Page: 
Link
Software Categories: 
Molecular Modeling and Simulation
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.

Software Documentation

Software Documentation Tabs