if [ -z "$1" ]; then exit fi [ ! -d $1 ] && mkdir $1 ./clean $1 # create run file rf=`basename $1` cat > run_$rf <<-EOF #!/bin/bash #$ -cwd ./sic $@ EOF # submit job qsub run_$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 sic.c $1/sic.c cp -v config.h $1/config.h fi fi