X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=run_rx200;fp=run_rx200;h=30c332ea15478260df2a74811ceaf648e113a9ea;hb=5a38c41c8d76039c0d1e6834921a92617c45eaf3;hp=0000000000000000000000000000000000000000;hpb=adf5ffc535491429a4546741c7d01811fc461691;p=physik%2Fposic.git

diff --git a/run_rx200 b/run_rx200
new file mode 100755
index 0000000..30c332e
--- /dev/null
+++ b/run_rx200
@@ -0,0 +1,41 @@
+if [ -z "$1" ]; then
+	exit
+fi
+
+[ ! -d $1 ] && mkdir $1
+./clean $1
+
+# create run file
+rf=`basename $1`
+cat > run_$rf <<-EOF
+#!/bin/bash
+#$ -cwd
+
+./sic $@
+
+EOF
+
+# submit job
+qsub run_$rf
+
+if [ "$?" == "0" ]; then
+	#./perms
+	if [ "$1" ] ; then
+		# whole simulation cell
+		#./visualize -w 640 -h 480 -d $1
+
+		# center unit cell
+		#./visualize -w 640 -h 480 -d $1 \
+		#            -nll -2.4 -2.4 -2.4 -fur 3.8 3.8 3.8 \
+		#	    -b -2.03 -2.03 -2.03 3.39 3.39 3.39 \
+		#	    -r 0.6 -c 0.5 -11.0 2.5 -B 0.1
+
+		# old rasmol
+		#rasmol -32 -nodisplay < $1/visualize.scr > /dev/null 2>&1
+		#./ppm2avi $1
+
+		# copy config and main prog
+		cp -v sic.c $1/sic.c
+		cp -v config.h $1/config.h
+	fi
+fi