X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=runmd_rx200;h=4e4966eabf14fa7b556c043ca1e5b6d0ddea8c77;hp=1bf24f88999bf8faaaf9e6ed508033317ae08849;hb=HEAD;hpb=0d1dfb1e5027d215fced8ca306dd658f692a2a44

diff --git a/runmd_rx200 b/runmd_rx200
index 1bf24f8..4e4966e 100755
--- a/runmd_rx200
+++ b/runmd_rx200
@@ -7,8 +7,11 @@ if [ ! -f ./config ]; then
 fi
 
 [ ! -d $1 ] && mkdir $1
+
 ./clean $1
 
+cp -v config $1/config
+
 # create run file
 rf=`basename $1`
 cat > run_$rf <<-EOF
@@ -20,25 +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
-
-		# copy config and main prog
-		cp -v config $1/config
-	fi
-fi
+qsub -q all.q run_$rf
+