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go back to [[Main Page]], [[Group Pages]], [[Núria López and Group]], [[Scripts_for_VASP]], [[rungen]] This is an example of a '''run.sh''' file to run a VASP calculation in tekla2. You can generate them automatically with [[rungen]]. #!/bin/bash ### SGE Parameters ####################### #$ -S /bin/bash #$ -N name #$ -cwd #$ -masterq c4m8.q #$ -pe c4m8_mpi 4 #$ -m ae #$ -M yourusername@iciq.es #$ -o o_$JOB_NAME.$JOB_ID #$ -e e_$JOB_NAME.$JOB_ID ### Load Environment Variables ########### . /etc/profile.d/modules.sh module load vasp/5.3.5 ### Run Job ############################## export OMP_NUM_THREADS=1 echo $PWD >> o_$JOB_NAME.$JOB_ID echo $TMP >> o_$JOB_NAME.$JOB_ID mpirun -np $NSLOTS vasp_std ; rm CHG
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