Hi, In our cluster, we use GAMESS with a special PE (gamess) using allocation_rule 2.
The user MUST request an even number of slots ex ( 2*n). the command line is : gamess -n $NSLOTS my-job.inp >& my-job.out Hope this will help. On Thu, Jan 19, 2012 at 4:01 PM, Reuti <re...@staff.uni-marburg.de> wrote: > Hi, > > Am 19.01.2012 um 14:22 schrieb Semi: > > > 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 > > I think this is something set up by your site already. I've never seen it > before. > > The rungms they provide with GAMESS seems targeting in the first place the > clusters of the author, what is understandable. But I would have really > liked that they provide a file which you have to source to set all their > environment variables and then just just issue ddikik.x with the correct > parameters and you are done. > > I could only send you my scripts to set it up from scratch. The export > list of variables I would have to refresh, as I have it for the October 01, > 2010 R3 version only right now. > > -- Reuti > _______________________________________________ > users mailing list > users@gridengine.org > https://gridengine.org/mailman/listinfo/users >
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