Hey,
thank you both for the response. I at least could restart the system.
And it is running beyond the crashing point. Keep the fingers crossed. :)
Kind regards
Sebastian
Am 12.08.2011 15:41, schrieb lina:
On Fri, Aug 12, 2011 at 7:55 PM, Sebastian Breuers
<breue...@uni-koeln.de> wrote:
Dear all,
searching for the mentioned error message I found a bug report for mdrun. It
seemed to be fixed, but in my setup it appears again and I am not sure if I
could do something about it.
I did not attach the tpr file since it is bounced by the mailing list and
I'd like to get at least a hint without waitng for approval of the rejected
mail. :)
The simulation crashes with 64 CPUs after step 11237000 with the following
entry in the log file:
-------------------------------------------------------
Program mdrun, VERSION 4.5.4
Source code file:
/home/breuerss/local/src/gromacs-4.5.4/src/mdlib/domdec_top.c, line: 352
Software inconsistency error:
One or more interactions were multiple assigned in the domain decompostion
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
That means that the simulation already ran for some time. I could also
finish some runs successfully with the very same topology but different
simulation parameters.
For any help or hints how I could fix it I would be grateful.
Have you tried to re-submit it, use the -cpi state.cpt -append
and see whether it can continue or not?
Best regards
Sebastian
--
_____________________________________________________________________________
Sebastian Breuers Tel: +49-221-470-4108
EMail: breue...@uni-koeln.de
Universität zu Köln University of Cologne
Department für Chemie Department of Chemistry
Organische Chemie Organic Chemistry
Greinstraße 4 Greinstraße 4
Raum 325 Room 325
D-50939 Köln D-50939 Cologne, Federal Rep. of Germany
_____________________________________________________________________________
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_____________________________________________________________________________
Sebastian Breuers Tel: +49-221-470-4108
EMail: breue...@uni-koeln.de
Universität zu Köln University of Cologne
Department für Chemie Department of Chemistry
Organische Chemie Organic Chemistry
Greinstraße 4 Greinstraße 4
Raum 325 Room 325
D-50939 Köln D-50939 Cologne, Federal Rep. of Germany
_____________________________________________________________________________
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