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VASP

VASP, both CPU and GPU version is available. The CPU library and the GPU library consists of all available addons, for example Wannier90, libxc, hdf5, VASPsol and VTST. To use VASP you'll need to load the VASP libraries. Instructions are avaliable in the next chapter here below.

VASP CPU​

loading in VASP CPU library​

ml use /hpcapps/lib-edda/modules/all/Core # lib-chem sem inniheldur VASP þarf safnið lib-edda
ml use /hpcapps/lib-chem/modules/all # Hlaða inn safninu lib-chem

ml load VASP/CPU

VASP GPU​

loading VASP GPU library​

ml use /hpcapps/lib-edda/modules/all/Core # lib-chem sem inniheldur VASP þarf safnið lib-edda
ml use /hpcapps/lib-chem/modules/all # Hlaða inn safninu lib-chem

ml load VASP/GPU

binary files​

  • vasp_gam
  • vasp_ncl
  • vasp_std