[molpro-user] Parallel Molpro and SunGridEngine : need for Help

[Thierry Leininger]

Dear Molpro Users

below you will find my script to qsub.

As you can see, I tried everything I thought of to give my Licence key to 
molpro but nothing helped : I still get this 

!LICENCE! Password missing on licence token

message.
Everything works if I just define PROCGRP variable and run molpro without 
qsub.

Many thanks for your help in advance

Best regards,

        Thierry

PS : We run Suse Linux Entreprise 9 on opteron cluster with kernel 
2.6.5-7.191-smp. I have applied all the patches. Global Array is 3.3.3

# ---------------------------
# our name
#$ -N molpro
#
# pe request
#$ -pe mpich_* 4
#
# ---------------------------
#$ -cwd
# --------------------------
#
# needs in
#   $NSLOTS
#       the number of tasks to be used
#   $TMPDIR/machines
#       a valid machine file to be passed to mpirun
#
export PATH=$TMPDIR:$HOME/bin:$PATH
export TCGRSH=rsh
echo "Got $NSLOTS slots."
echo TMPDIR=$TMPDIR

nodelist=`cat $TMPDIR/machines`
echo $nodelist
for node in $nodelist
do
  echo "$LOGNAME $node 1 
$HOME/lib/molpro-mpp-Linux-x86_64-i8-2002.6/molprop_2002_6_i8_amd64_tcgmsg.exe 
$TMPDIR" >> $TMPDIR/PROCGRP
done
export PROCGRP=$TMPDIR/PROCGRP

export MOLPRO_KEY="my licence key"
export MOLPRO_RCFILE=$HOME/.molpro/molpro.rc
export MOLPRO_OPTIONS="-k mylicencekey" 

cp $MOLPRO_RCFILE $TMPDIR
##
##
### Lancement du calcul
##
$HOME/bin/molpro h2o_vdz.test

-- 
***********************************************************************
      Thierry Leininger      
Laboratoire de Physique Quantique       Tel : +33  5 61 55 61 52
          IRSAMC                        Fax : +33  5 61 55 60 65
    Universite Paul Sabatier
    118, route de Narbonne
   F - 31062 Toulouse Cedex
***********************************************************************