X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=vasp_tools%2Frunvasp_rx200;fp=vasp_tools%2Frunvasp_rx200;h=13d67bf7fbf744eebc8385b2a3097cf5a3ad5d1d;hp=0000000000000000000000000000000000000000;hb=6e6d7126ea9a845f11637d8e1b8eb2b570ac4dc9;hpb=97dc63eb6a519b8e1f4fbfaa9760dd94539436b0

diff --git a/vasp_tools/runvasp_rx200 b/vasp_tools/runvasp_rx200
new file mode 100755
index 0000000..13d67bf
--- /dev/null
+++ b/vasp_tools/runvasp_rx200
@@ -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 $NTH
+
+export LD_LIBRARY_PATH=/opt/intel/mkl/9.1.021/lib/em64t
+../vasp.4.6/vasp
+
+EOF
+
+# submit job
+qsub -q all.q run_$rf
+
+