Script-vasp-tekla: Difference between revisions
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The current version in [[Tekla2]] is [[VASP-Current | 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* | |||
Revision as of 13:50, 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*