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Merge branch 'leadoff'
[physik/posic.git] / vasp_tools / runvasp_rx200_gamma
1 # create run file
2 NTH=1
3 [ ! -z "$1" ] && NTH=$1
4 WORKDIR=`pwd`
5 rf=`basename $WORKDIR`
6 cat > run_$rf <<-EOF
7 #!/bin/bash
8 #$ -S /bin/bash
9 #$ -cwd
10 #$ -pe smp $NTH
11
12 export LD_LIBRARY_PATH=/opt/intel/mkl/9.1.021/lib/em64t
13 ../vasp.4.6-gamma/vasp
14
15 EOF
16
17 # submit job
18 qsub -q all.q run_$rf
19
20