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Wednesday, March 21, 2018

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.