Hi, On Aug 17, 2011, at 1:24 AM, <chris.ne...@utoronto.ca> <chris.ne...@utoronto.ca> wrote:
> Currently, gromacs4.5.4 gives a segfault if one runs mpirun -np 8 mdrun_mpi > -npme 120 with no warning of the source of the problem. > > Obviously npme>nnodes is a bad setup, but a check would be nice. cr->npmenodes is set in mdrun.c right after the command line args are passed, and in the code there is also a comment that npme>nnodes should not cause a problem at that point. However, if npme>nnodes, in init_domain_decomposition / dd_choose_grid / optimize_ncells the number of pp nodes = nnodes-npme turns out to be negative such that in factorize the memory allocation does not work. I would have filed a bug report, however the web page seems to be down at the moment. Best, Carsten > > Thank you, > Chris. > > -- > 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 thewww interface or > send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- 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
