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VASP
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; Versions
: 5.4.4 (18Apr17)
: 5.4.1 (05Feb16) with patches 14032016 and 03082016
: 5.3.2 (13Sep12)
module purge
module load intel openmpi/intel vasp/5.3.2
mpirun vasp
</pre>
: And here is an example for VASP 5.4.4
<pre>
#$ -cwd
#$ -l h_rt=01:00:00
#$ -pe ompi* 4
module purge
module load intel/16 openmpi/intel/1.8.8 vasp/5.4.4
mpirun vasp