Script-vasp-tekla

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Revision as of 13:51, 12 May 2010 by 10.0.7.24 (talk)
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The current version in Tekla2 is current version 

#!/bin/bash
#$ -N NAME
#$ -pe c8m24_ompi NUMBER_OF_CORE
#$ -cwd
#$ -o vasp-ompi.out
#$ -e vasp-ompi.err
#$ -S /bin/bash
. /etc/profile.d/modules.sh
module load vasp/5.2_VTST
export OMP_NUM_THREADS=1
mpirun -np $NSLOTS vasp
rm -f CHG* WAVE*
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