[gmx-developers] Question

[David van der Spoel]

张倩 wrote:
> Dear gmx-developers:
>   
>     Hello!
>     I am a user of GROMACS, and now I have a problem of using GROMACS in 
> paralled. Could you please help me to solve the problem?
>     I have compiled GROMACS with MPI support: set the option 
> --enable-mpi to the configure script and compile.  And I can use the 
> program called mpirun to run the GROMACS in paralled, but I can only run 
> with less than 5 computing-nodes. When using more than 5 computing-node 
> , some of the computing-node will run all the while ,and I have to kill 
> the processes by myself. I want to know why it works like this, and how 
> can I solve the problem?
>     Thank you  very much!
>    
>  
soudns like you're using MPICH. Is that correct?
Please give more details, software, versions etc.

-- 
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://folding.bmc.uu.se
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