[gmx-users] mdrun_mpi crashes for no apparent reason
suzen at theochem.tu-muenchen.de
Tue Jul 2 10:46:05 CEST 2002
May be analyizing debug files md.out would give you an idea. If you are
4 cpu then networking also will play a role or due to NFS. *I had such a
MPICH. I would suggest you to update LAM-MPI lam-6.5.6.
Vishal Vaidyanathan wrote:
> I am using mdrun_mpi from release 3.1.4 and I am facing the following
> problem: the program stops executing and crashes without warning or error
> to stderr or log. This does not seem to be a simulation issue since
> resuming the run from the last frame works fine. There are no LINCS
> warnings or errors. I get several hours to 1-2 days of runtime before a
> Any ideas why this could be happening? Seems to be some technical issue
> rather than a simulation problem.
> SMP dual athlons, Suse linux 8.0, kernel 2.4.18-64GB-SMP
> LAM MPI, lam-6.5.4-usysv.1, from gmx webpage
> fftw packages from gmx webpage
> Everything was installed from the rpm's provided
> I'm using MPI only for processors on the same board - ie. nothing should
> really be depending on the network, so I don't think it's a networking
> issue either. And there's ample disk space.
> Sometimes while using tpbconv to resume, I get a SIGSEGV when it reads
> the last frame of the trajectory (no incomplete frame warning, just
> SIGSEG). Have to use the -time option to resume in that case. But
> mosttimes I get the "incomplete frame" warning and tpbconv exits normally.
> Has anybody else noticed such behaviour? It's hard to guess what's wrong
> because there's absolutely no error message...
> Any suggestions are welcome.
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