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 > _____________________________________________________________________________ > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Best Regards, lina -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
