[gmx-users] problem with mpi

[David]

On Sat, 2004-06-26 at 19:01, Guoming Xiong wrote:
> Hi, there,
> 
> I am a biginner of gromacs. I have dowloaded and compiled the gromacs 
> successfully. It runs well when use the none-mpi version. But upon 
> trying the mpi version, I encounted strange situations.
> The following is  what  I  did
> 
> 1.  "./grompp_mpi  -np 2  -f em.mdp -s em.tpr -c out.gro -p topol.top" 
> ----- this step created the em.tpr successfully.
> 
> 2."./mdrun_mpi  -np 2 -s em.tpr -c out.gro ..." to run the MD simulation 
> by mdrun_mpi, but I just can get the following message:
> 
try 
mpirun -np 2 mdrun_mpi

> 0 - <NO ERROR MESSAGE> : Could not convert index 136473856 into a pointer
> The index may be an incorrect argument.
> Possible sources of this problem are a missing "include 'mpif.h'",
> a misspelled MPI object (e.g., MPI_COM_WORLD instead of MPI_COMM_WORLD)
> or a misspelled user variable for an MPI object (e.g.,
> com instead of comm).
> [0]  Aborting program !
> [0] Aborting program!
> p0_15371:  p4_error: : 9039
> 
> 
> I can not understand it at all. Would you please tell me what mistakes I 
> have made?   Many thanks.
> 
> BTW, I  was running  the code on a dual-processor linux machine.
> 
> 
> Best regards,
> 
> Guoming Xiong
> 
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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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