On Tuesday 07 April 2009, Bernhard Knapp wrote: > Hi > > I am trying to get a parallel job of the gromacs software started. MPI > seems to boot fine but unfortunately it seems not to be able to open a > specified file although it is definitly in the directory where the job > is started.
Do all the nodes (in your machinefile) see the same filesystem(s)?
Have you tried a trivial mpi-program (like MPI_init, open("...), MPI_fin..)?
I have compiled and executed gromacs (4.0.2) sucessfully with several OpenMPI
versions.
/Peter
> I also changed the file permissions to 777 but it does not
> affect the result. Any suggestions?
>
> cheers
> Bernhard
...
> Program mdrun, VERSION 4.0.3
> Source code file: gmxfio.c, line: 736
>
> Can not open file:
> 1fyt_PKYVKQNTLELAT_bindingRegionsOnly.md.tpr
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