From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Tue, 12 Jul 2011 07:22:59 +0000 (+0200)
Subject: some more files
X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=a29f0d8f1217a53ac4e1b90e65d24394f7c8967f;p=physik%2Fposic.git

some more files
---

diff --git a/vasp_tools/e_f b/vasp_tools/e_f
new file mode 100755
index 0000000..877f66c
--- /dev/null
+++ b/vasp_tools/e_f
@@ -0,0 +1,11 @@
+#!/bin/bash
+
+ready=`grep General\ timing $1/OUTCAR | awk '{ print $1 }'`
+
+if [ "$ready" = "General" ]; then
+	echo "$i seems to be finisched ..."
+./e_form plain_si_2333_nosym_sp plain_c_2333_nosym_sp $1
+else
+	echo "$i not yet finished ..."
+fi
+
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
+
+
diff --git a/vasp_tools/runvasp_rx200_gamma b/vasp_tools/runvasp_rx200_gamma
new file mode 100755
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
+
+