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new pse handling
[physik/posic.git] / run_rx200
1 if [ -z "$1" ]; then
2         exit
3 fi
4
5 [ ! -d $1 ] && mkdir $1
6 ./clean $1
7
8 # create run file
9 rf=`basename $1`
10 cat > run_$rf <<-EOF
11 #!/bin/bash
12 #$ -cwd
13
14 ./sic $@
15
16 EOF
17
18 # submit job
19 qsub run_$rf
20
21 if [ "$?" == "0" ]; then
22         #./perms
23         if [ "$1" ] ; then
24                 # whole simulation cell
25                 #./visualize -w 640 -h 480 -d $1
26
27                 # center unit cell
28                 #./visualize -w 640 -h 480 -d $1 \
29                 #            -nll -2.4 -2.4 -2.4 -fur 3.8 3.8 3.8 \
30                 #           -b -2.03 -2.03 -2.03 3.39 3.39 3.39 \
31                 #           -r 0.6 -c 0.5 -11.0 2.5 -B 0.1
32
33                 # old rasmol
34                 #rasmol -32 -nodisplay < $1/visualize.scr > /dev/null 2>&1
35                 #./ppm2avi $1
36
37                 # copy config and main prog
38                 cp -v sic.c $1/sic.c
39                 cp -v config.h $1/config.h
40         fi
41 fi