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[physik/posic.git]
/
vasp_tools
/
runvasp_rx200
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# create run file
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NTH=1
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[ ! -z "$1" ] && NTH=$1
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WORKDIR=`pwd`
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rf=`basename $WORKDIR`
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cat > run_$rf <<-EOF
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#!/bin/bash
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#$ -S /bin/bash
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#$ -cwd
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#$ -pe smp $NTH
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export LD_LIBRARY_PATH=/opt/intel/mkl/9.1.021/lib/em64t
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../vasp.4.6/vasp
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EOF
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# submit job
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qsub -q all.q run_$rf
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