[gmx-users] mdrun_mpi crashes for no apparent reason

Marcos Villarreal arloa at dqb.fcq.unc.edu.ar
Tue Jul 2 14:41:42 CEST 2002

Hi Vishal, 

I also experienced something like you describe, but if I isue a top command I 
can see a that mdrun is running without producing output.
Two days ago I have installed lam-6.5.6, and recompiled fftw and til now 
everithing work fine.


On Tuesday 02 July 2002 05:05, you wrote:
> Hi,
>   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
> crash.
>   Any ideas why this could be happening? Seems to be some technical issue
> rather than a simulation problem.
>   System:
>           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.
>   Thanks,
> 								Vishal

Marcos Villarreal
Grupo de Biofisica
Departamento de Quimica Biologica - CIQUIBIC.
Universidad Nacional de Cordoba.
Cordoba. Argentina.

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