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Monday, January 18, 2021
  • Bugfix: patch #1 for vasp.

    Dear All,

    This patch (patch.14032016) for vasp. improves the mapping between MPI-ranks and GPUs on multi-node/multi-GPU systems (concerns performance of the GPU accelerated version of VASP only, and is not a bugfix).

    This patch can be downloaded from the download portal or our wiki.

    Gunzip and apply this patch inside the vasp.5.4.1 root directory:

    patch -p0 < patch.


    The VASP team.


    A new release of VASP, version, is available for download now (for all holders of a valid "VASP.5.2" license)!

    P.S.: Some users have experienced download problems with the Internet Explorer (specifically with the japanese version of IE8). If you run into this problem please try another browser (firefox 3.0, Chrome, etc etc).

  • Bugfix: in linear_response_NMR.F

    Unfortunately a bug was introduced in linear_response_NMR.F of VASP.

    This bug affects the para- and diamagnetic PAW one-center contributions of the chemical shifts.