Please send me qconf -sp gamess and start & stop scripts. ----- Original Message ----- From: Mazouzi <mazo...@gmail.com> Date: Thursday, January 19, 2012 17:32 Subject: Re: [gridengine users] How I can integrate GAMESS under SGE? To: Reuti <re...@staff.uni-marburg.de> Cc: Semi <s...@bgu.ac.il>, "users@gridengine.org" <users@gridengine.org>
> 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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