Script-vasp-tekla

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Revision as of 13:50, 12 May 2010 by 10.0.7.24 (talk)
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The current version in Tekla2 is current version

  1. !/bin/bash
  2. $ -N NAME
  3. $ -pe c8m24_ompi NUMBER_OF_CORE
  4. $ -cwd
  5. $ -o vasp-ompi.out
  6. $ -e vasp-ompi.err
  7. $ -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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