[gmx-users] A few general questions on Gromacs

Martin Höfling martin.hoefling at gmx.de
Thu Jun 28 00:11:56 CEST 2007

Am Mittwoch, 27. Juni 2007 schrieb David van der Spoel:

> > So the submitted script was basically calling a python script, calling
> > the necessary tools to check output, and run the next step. This can be
> > cumbersome, if it comes to errorhandling (hardware failures etc.)
> actually most queueing systems have support for chaining jobs, but if
> your hardware fails you're out of luck of course.

Yep that's true with Sun Grid Engine, too. I originally thought about using 
it, but job completition was not reliable. I should check the current status 
when I set up the next runs, since this should not be the default 
behavior. :-)


More information about the gromacs.org_gmx-users mailing list