[gmx-developers] mpi error

David spoel at xray.bmc.uu.se
Sat Apr 2 11:39:29 CEST 2005


On Sat, 2005-04-02 at 16:31 +0800, Junmin Quan wrote:
> Dear All,
> 
> 
>    When I run the CVS version of gromacs on a dual processors (dual
> opteron) system, I met the following error. I compile gromacs with
> --enable-mpi, I have setup lammpi, fftw for mpi.   Any suggestion is
> grateful.
We need a bit more info, is the system well equilibrated, or could this
be due to large forces?

After how many steps does this happen?

> 
> Best 
> 
> Sorkiller
> 
> 
> ---------------------------------------------------------------------------------------------------
> sz040:198> lamboot
> 
> LAM 7.1.1/MPI 2 C++/ROMIO - Indiana University
> 
> sz040:199> mpirun -np 2 mdrun -s test-pr.tpr -o test-pr.trr -c test-b4md.gro
> 
> sz040:200> 
> 
> Back Off! I just backed up ener.edr to ./#ener.edr.2#
> starting mdrun 'in water'
> 10000 steps,     20.0 ps.
> 
> -----------------------------------------------------------------------------
> One of the processes started by mpirun has exited with a nonzero exit
> code.  This typically indicates that the process finished in error.
> If your process did not finish in error, be sure to include a "return
> 0" or "exit(0)" in your C code before exiting the application.
> 
> PID 26663 failed on node n0 (219.223.206.40) due to signal 11.
> -----------------------------------------------------------------------------
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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