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Re: Bug#540813: ITP: gamessq -- gamess scheduling frontend


On Tue, Aug 11, 2009 at 10:16:44AM +0200, Patrick Winnertz wrote:
> > Are you sure such specialized software is useful?  I assume this will
> > go into contrib, as gamess itself is (AFAIK) non-free?
> Yepp, indeed, gamess is not available in debian (due to license issues),
> but can freely downloaded from the website of the group.
> I'm not sure if this really belongs into contrib, it's starting up and
> working without gamess around, but without gamess around you can't
> start the processing. 

Is it still useful for manual post-processing or input-generation of
Gamess jobs?  In that case, I guess it would be fine to go in main.

(Though note that maybe avogadro can do the same, is fully Free Software
and has an active upstream)
> > Maybe having a general-purpose job scheduler or some local-job
> > application which also supports free codes would be better.
> Well.  there is no other job scheduler around. As this eases the
> handling of gamess very much, this should surely be packaged. 
> If you can step up with a better alternative, please do :) I'm using
> gamess on a regular basis and I don't know another alternative for job
> scheduling. 

Well, for general-purpose job scheduling, see recent threads on
debian-science.  There are at least slurm-llnl and gridengine (though
both very heavy-weight), plus a possible upload of openpbs/torque and
several smaller ones.

If you ask for a Gamess-specific scheduler, I guess you are right that
there are currently no alternatives in the archive.



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