Script-vasp-tekla: Difference between revisions
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The current version in [[Tekla]] is [[VASP-Current | current version]] | |||
#!/bin/bash | |||
#$ -N NAME | |||
# | |||
# pe request | |||
#$ -pe q0 NUMBER_OF_CORES | |||
cd WORKING DIRECTORY | |||
/usr/bin/mpirun -np 8 -machinefile $TMPDIR/machines /usr/local/bin/vasp | |||
#E=`tail -1 OSZICAR` >> SUMMARY-reg.PES | |||
rm WAVECAR | |||
Latest revision as of 13:57, 12 May 2010
The current version in Tekla is current version
#!/bin/bash #$ -N NAME # # pe request #$ -pe q0 NUMBER_OF_CORES cd WORKING DIRECTORY /usr/bin/mpirun -np 8 -machinefile $TMPDIR/machines /usr/local/bin/vasp #E=`tail -1 OSZICAR` >> SUMMARY-reg.PES rm WAVECAR