# user gaussian with linda
export g09root=/home_gsx/Soft/Gaussian.D01.Linda
. $g09root/g09/bsd/g09.profile
export GAUSS_EXEDIR=$g09root/g09
export PATH=$g09root/g09:$PATH
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$g09root/g09
cd $PWD
mkdir scratch
export GAUSS_SCRDIR=$PWD/scratch
#start creating .nodelist
rm -f $PWD/nodelist >& /dev/null
for i in `echo $LSB_HOSTS`
do
echo "$i" >> $PWD/nodelist
done
nodelist=$(cat $PWD/nodelist | uniq | awk '{print $1}' | tr '\n' ',')
NProcShared=$NP_PER_NODE
cat $INPUT | sed -e "s/%[Nn][Pp][Rr][Oo][Cc][^ \t]*=[0-9]*//" \
| sed -e "s/%[Ll][Ii][Nn][Dd][Aa][^ \t]*//" \
| sed -e "1i\%NProcShared=$NProcShared" \
| sed -e "1a\%LindaWorker=$nodelist" \
| sed -e "s/\r$//" \
>"$INPUT".linda
## Gaussian 09 setup
date > time
g09 < "$INPUT".linda > $OUTPUT
date >> time
rm -rf scratch
rm nodelist
sleep 1