Skip to main content

VASP

VASP is available in both CPU and GPU versions. The CPU and GPU libraries include all available add-ons, such as Wannier90, libxc, hdf5, VASPsol, and VTST. To use VASP, you need to load the VASP libraries. Instructions are available in the sections below.

VASP CPU​

Loading the VASP CPU library​

ml use /hpcapps/lib-edda/modules/all/Core # lib-chem containing VASP requires the lib-edda library
ml use /hpcapps/lib-chem/modules/all # Load the lib-chem library

ml load VASP/CPU

VASP GPU​

Loading the VASP GPU library​

ml use /hpcapps/lib-edda/modules/all/Core # lib-chem containing VASP requires the lib-edda library
ml use /hpcapps/lib-chem/modules/all # Load the lib-chem library

ml load VASP/GPU

Binary files​

  • vasp_gam
  • vasp_ncl
  • vasp_std