[gmx-users] mdrun crashes with 'One or more interactions were multiple assigned in the domain decompostion'

[lina]

On Fri, Aug 12, 2011 at 7:55 PM, Sebastian Breuers
<breuerss at 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: breuerss at uni-koeln.de
>
> Universität zu Köln             University of Cologne
> Department für Chemie           Department of Chemistry
> Organische Chemie               Organic Chemistry
>
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-- 
Best Regards,

lina