[gmx-users] mpi problem

David van der Spoel spoel at xray.bmc.uu.se
Mon Mar 17 22:37:51 CET 2003


On Tue, 2003-03-18 at 01:02, Ruben Martinez Buey wrote:
> Hi all,
> 
> I have the next problem when I try to use mdrun for 8 processors on a
> Silicon Origin:
> 
> Any help would be very appreciated!
We need more info.

Does the simulation crash?

Did you check the output files?

> Thanks in advance,
> with best wishes
> Ruben
> 
> > mpirun -np 8
> /r1/cicyt/e4149/gromacs-3.1.4/mips-sgi-irix6.5/bin/mdrun_d -h
> NNODES=8, MYRANK=0, HOSTNAME=jen50
> NNODES=8, MYRANK=1, HOSTNAME=jen50
> NNODES=8, MYRANK=4, HOSTNAME=jen50
> NNODES=8, MYRANK=5, HOSTNAME=jen50
> NNODES=8, MYRANK=7, HOSTNAME=jen50
> NNODES=8, MYRANK=3, HOSTNAME=jen50
> NNODES=8, MYRANK=2, HOSTNAME=jen50
> NNODES=8, MYRANK=6, HOSTNAME=jen50
> NODEID=3 argc=2
> NODEID=4 argc=2
> NODEID=6 argc=2
> NODEID=7 argc=2
> NODEID=0 argc=2
> NODEID=1 argc=2
> NODEID=2 argc=2
> NODEID=5 argc=2
>                          :-)  G  R  O  M  A  C  S  (-:
> 
>                GRoups of Organic Molecules in ACtion for Science
> 
>                             :-)  VERSION 3.1.4  (-:
> 
> 
>        Copyright (c) 1991-2002, University of Groningen, The Netherlands
> 
>          This program is free software; you can redistribute it and/or
>           modify it under the terms of the GNU General Public License
>          as published by the Free Software Foundation; either version 2
>              of the License, or (at your option) any later version.
> 
>    :-)  /r1/cicyt/e4149/gromacs-3.1.4/mips-sgi-irix6.5/bin/mdrun_d
> (double precision)  (-:
> 
> MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()
> 
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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