[gmx-users] Re: [gmx-users] Signal 11 error with parallel runs

[Anton Feenstra]

sophie.vilarem at laposte.net wrote:
[...]
> I don't think so... but here is the total output (run on 2 CPUs) :
[...]
> Does it help?

Not really, no. Bot looking through it, I get the idea it may be a
problem between the gromacs compilation and the mpi & fftw versions
you are using. Both gromacs and fftw must be compiled to the same mpi
version, and that very exact same mpi version must be present when
running Gromacs. This is not something we (the Gromacs developers)
can do much about, it is mpi that is very picky with library versions.

Note also it is quite common to find multiple mpi versions on the same
machine, and different versions as well between the computation nodes
and e.g. the cluster server or the login nodes. You need to check that
very carefully.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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