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