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

[Da-Wei Li]

hello

Just to share information. My parallel MD run also crash (very rarely) but I
can always bypass the crash point using cpt files.

dawei

On Fri, Aug 12, 2011 at 10:02 AM, Sebastian Breuers
<breuerss at uni-koeln.de>wrote:

> 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<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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>>
>>
>>
> --
> ______________________________**______________________________**
> _________________
>
> 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
> ______________________________**______________________________**
> _________________
> --
> gmx-users mailing list    gmx-users at gromacs.org
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