[gmx-users] Perplexed about MPI

[K.A. Feenstra]

dr.horsfield at physics.org wrote:
> 
> Hi,
> 
> I have begun to despair of MPI! I have LAM-MPI 6.5.7 installed. It passes
> the test suite perfectly, and the Pallas MPI benchmarks run fine. I have
> gromacs 3.1.4 installed, and I have compiled it for MPI. A particular
> small job runs fine on 2 processors (either on the same box, or on two
> boxes), but falls over immediately on 3 or 4, with the error:
[...]
> Could the problem be that the number of atoms on each node is not the same
> for 3 or 4 processors? Any suggestions?

Did the files md0.log, md1.log, md3.log and so on get generated?
If so, have you had a look at them? They are from each of the 
individual mdrun processes.

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
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