some more files

[physik/posic.git] / vasp_tools / runvasp_rx200_gamma

diff --git a/vasp_tools/runvasp_rx200_gamma b/vasp_tools/runvasp_rx200_gamma
new file mode 100755 (executable)
index 0000000..57ab562
--- /dev/null
+++ b/vasp_tools/runvasp_rx200_gamma
@@ -0,0 +1,20 @@
+# create run file
+NTH=1
+[ ! -z "$1" ] && NTH=$1
+WORKDIR=`pwd`
+rf=`basename $WORKDIR`
+cat > run_$rf <<-EOF
+#!/bin/bash
+#$ -S /bin/bash
+#$ -cwd
+#$ -pe smp $NTH
+
+export LD_LIBRARY_PATH=/opt/intel/mkl/9.1.021/lib/em64t
+../vasp.4.6-gamma/vasp
+
+EOF
+
+# submit job
+qsub -q all.q run_$rf
+
+