[gmx-users] A few general questions on Gromacs

Stéphane Téletchéa steletch at jouy.inra.fr
Thu Jun 28 11:31:46 CEST 2007


Martin Höfling a écrit :
> 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

Most of the time, you can rely on the return status of your SGE jobs 
(i'm using SGE too).

For instance a correctly completed job returns "Exit Status      = 0" 
while a failed job returns (whatever the failure reason) 1 or 255 ...
This is a rough verification but in a first rapid approach, you can be 
sure to not launch the next step if exit status !=0 :-)

Hope this helps,
Stéphane

-- 
Stéphane Téletchéa, PhD.                  http://www.steletch.org
Unité Mathématique Informatique et Génome http://migale.jouy.inra.fr/mig
INRA, Domaine de Vilvert                  Tél : (33) 134 652 891
78352 Jouy-en-Josas cedex, France         Fax : (33) 134 652 901



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