Script-vasp-tekla: Difference between revisions
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The current version in [[Tekla2]] is [[VASP-Current | current version]] | The current version in [[Tekla2]] is [[VASP-Current | current version]] | ||
#!/bin/bash | #!/bin/bash | ||
#$ -N NAME | #$ -N NAME | ||
#$ -pe c8m24_ompi NUMBER_OF_CORE | #$ -pe c8m24_ompi NUMBER_OF_CORE | ||
#$ -cwd | #$ -cwd | ||
#$ -o vasp-ompi.out | #$ -o vasp-ompi.out | ||
#$ -e vasp-ompi.err | #$ -e vasp-ompi.err | ||
#$ -S /bin/bash | #$ -S /bin/bash | ||
. /etc/profile.d/modules.sh | . /etc/profile.d/modules.sh | ||
module load vasp/5.2_VTST | module load vasp/5.2_VTST | ||
export OMP_NUM_THREADS=1 | export OMP_NUM_THREADS=1 | ||
mpirun -np $NSLOTS vasp | mpirun -np $NSLOTS vasp | ||
rm -f CHG* WAVE* | rm -f CHG* WAVE* | ||
Revision as of 13:51, 12 May 2010
The current version in Tekla2 is current version
#!/bin/bash #$ -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*