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Vasp

General information

Installed versions

Resource Version
Arrhenius 6.6.1-gcc-2026.03-mpich, 6.6.0-hpc2-gcc-2026.03-mpich, 6.5.1-gcc-2026.03-mpich, 6.5.0-gcc-2026.03-mpich, 5.4.4-gcc-2026.03-mpich
Arrhenius-GPU 6.6.1-max1node-nvhpc-25.9-cu13.0, 6.6.0-max1node-hpc2-nvhpc-25.9-cu13.0, 6.5.1-max1node-nvhpc-25.9-cu13.0, 6.5.0-max1node-nvhpc-25.9-cu13.0
Dardel/cpe26.03 vasp/5.4.4-vanilla, vasp/6.4.3-vanilla-xy, vasp/6.4.3-wannier90, vasp/6.5.1-vanilla, vasp/6.6.0-vanilla, vasp/6.3.2-vtst-vaspsol++-intel, vasp/6.4.3-vanilla, vasp/6.5.1-vanilla-xy, vasp/6.5.1-vtst-vaspsol-intel

Read information about how to load this software in your environment by searching for Lmod module.

The Vienna Ab initio Simulation Package (VASP) is "a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles." For more information see the VASP home page https://vasp.at and the VASP wiki.

VASP is not a free software and requires a software license. License handling at specific NAISS supercomputers is described below.