Hi Edward,

Wanted to update you a prior problem I had. So I ran relax with multiple
processors and single processor with the same data set, and obtained
identical data on my computer. So the previous issue I had with missing
data I don't think is related to relax itself. Just wanted to let you know.


On Thu, Oct 6, 2016 at 3:05 PM, Mahdi, Sam <sam.mahdi....@my.csun.edu>

> Hi Edward,
> I was talking to the developer of mpi4py, and he said that mpi4py should
> work with both, even if you have both of them installed, by loading the
> appropriate module (openmpi or mpich) I should be able to run mpi4py. He
> said he suspects there was probably a problem with the installation of
> openmpi itself (improper compilation, or the package itself was improperly
> configured itself). Regardless, it finally works Thanks to both of you for
> your help with relax and my multi-processor problem.
> Sincerely,
> Sam
> On Thu, Oct 6, 2016 at 2:39 PM, Edward d'Auvergne <edw...@nmr-relax.com>
> wrote:
>> On Thursday, 6 October 2016, Mahdi, Sam <sam.mahdi....@my.csun.edu>
>> 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
relax (http://www.nmr-relax.com)

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