[gmx-users] problem with vsite and particle decomposition
sdonnin at gwdg.de
Wed Jan 20 09:34:45 CET 2010
yes, I've just filed a bugzilla and attached the tpr.
> This is clearly a bug.
> Could you file a bugzilla and attach the tpr file?
>/ Date: Wed, 20 Jan 2010 08:52:27 +0100
/>/ From: sdonnin at gwdg.de <http://lists.gromacs.org/mailman/listinfo/gmx-users>
/>/ To: gmx-users at gromacs.org <http://lists.gromacs.org/mailman/listinfo/gmx-users>
/>/ Subject: [gmx-users] problem with vsite and particle decomposition
/>/ I had a problem when running with virtual sites (-vsite hydrogens) and
/>/ particle decomposition (mdrun -pd) on more than one processor with
/>/ gromacs 4.0.7. I could run without problems the same files without
/>/ virtual site description. The error message looks like this:
/>/ [node036:28870] *** An error occurred in MPI_Wait
/>/ [node036:28870] *** on communicator MPI_COMM_WORLD
/>/ [node036:28870] *** MPI_ERR_TRUNCATE: message truncated
/>/ [node036:28870] *** MPI_ERRORS_ARE_FATAL (goodbye)
/>/ It seems that the error message comes from move_cgcm() in
/>/ sim_util.c, line 157, but the cause could as well
/>/ be MPI communication that happens before move_cgcm.
/>/ Did anybody experienced similar problems or can help with this issue?
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