Hi, 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. cheers, Michael -- To UNSUBSCRIBE, email to [email protected] with a subject of "unsubscribe". Trouble? Contact [email protected]
