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Materials Studio: Difference between revisions
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export DSD_MachineList | export DSD_MachineList | ||
RunCASTEP.sh -np $ | RunCASTEP.sh -np $SLURM_NTASKS castepjob | ||
if [ -f castepjob_NMR.param ]; then | if [ -f castepjob_NMR.param ]; then | ||
cp castepjob.check castepjob_NMR.check | cp castepjob.check castepjob_NMR.check | ||
RunCASTEP.sh -np $ | RunCASTEP.sh -np $SLURM_NTASKS castepjob_NMR | ||
fi | fi | ||
}} | }} | ||