From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Wed, 30 Jul 2008 15:36:51 +0000 (+0200)
Subject: new runmd script for the rx200
X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=ec3cbca7c97d18e13c42ec77b351171d9a402bcf;p=physik%2Fposic.git

new runmd script for the rx200
---

diff --git a/runmd_rx200 b/runmd_rx200
index 9368141..4e4966e 100755
--- a/runmd_rx200
+++ b/runmd_rx200
@@ -23,22 +23,5 @@ cat > run_$rf <<-EOF
 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 $1
-	fi
-fi
+qsub -q all.q run_$rf
+