How I can integrate GAMESS under SGE?
I found some info about this in file called gms, but without pe,
start&stop scripts, example how to use this wrapper.
# SGE job submission:
# A 'parallel environment' named 'ddi' was set up on ISU's cluster,
# this SGE prolog file creates the SGE directory $TMPDIR on every node,
# and this epilog script erases $TMPDIR, to be sure the scratch disk is
# always cleaned up, and to remove dead semaphores.
#
# SGE command 'qconf -sp ddi' shows the details of this environment,
# including pathnames to prolog/epilog scripts. Also, 'qconf -spl'.
# Other useful SGE commands: 'qconf -sc' shows config for resources.
#
# Mirabile dictu! SGE allows you to pass args to a job script by
# just placing them behind the script name. In all my living days,
# I've never seen a batch program that permitted this. Glory be!
#
if ($SCHED == SGE) then
qsub -cwd -o $LOGFILE -j yes -pe ddi $NNODES -N $JOBNAME
$SGE_RESOURCES \
~/scr/$JOB.script $JOB $VERNO $NCPUS $PPN
endif
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