Re: Using multi-processor for model_free -- October 06, 2016 - 23:39

On Thursday, 6 October 2016, Mahdi, Sam <sam.mahdi.846@xxxxxxxxxxx> wrote:

> Hi Troels and Edward,
>
> I was able to get relax working on a multi-processor platform finally. I
> tried using the mpich instead of openmpi.
> module load mpi/mpich-x86_64
> mpirun -np 7 ./relax --multi='mpi4py'
>
> and it loaded up relax with 1 master and 7 slaves. I don't exactly
> understand why openmpi doesn't work. I have gotten both from the package
> list, and installed them directly., and I have mpi4py for both mpich and
> openmpi (I also got these from the package list and installed directly),
> but this seemed to finally get it to work.

Hi Sam,

This sounds like a classic software clash, with OpenMPI loosing out to
MPICH with respect to mpi4py.  Maybe uninstalling all MPI packages and just
having openmpi and python-mpi4py would have solved this.  Anyway, as long
as something works, that's all that is needed.  Thank you Troels for all of
your help!

Regards,

Edward