added run script for the rx200 cluster

[physik/posic.git] / run

diff --git a/run b/run
index 841b377..b46f2ca 100755 (executable)
--- a/run
+++ b/run
@@ -1,13 +1,28 @@
-mkdir -p saves video
-./clean
-./posic $@
+if [ -z "$1" ]; then
+       exit
+fi
+
+[ ! -d $1 ] && mkdir $1
+./clean $1
+./sic $@
 if [ "$?" == "0" ]; then
-       ./perms
-       argv="`echo $@ | grep -- '-V'`"
-       if [ "$argv" ] ; then
-               base=`echo $argv | awk -F'-V' '{ print $2 }' | \
-                       awk '{ print $2 }'`
-               rasmol -nodisplay < ${base}.scr > /dev/null 2>&1
-               ./ppm2avi
+       #./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 1.5 -15.0 1.5 -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