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 [email protected] https://gridengine.org/mailman/listinfo/users
