[gmx-users] A few general questions on Gromacs

[Martin Höfling]

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. :-)

Best
	Martin