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

[Sebastian Breuers]

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
> <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
>>
>> 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: breuerss at 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
_____________________________________________________________________________