mailRe: Using multi-processor for nmr relax


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Posted by Mahdi, Sam on September 01, 2016 - 02:50:
So I have downloaded both mpi4py and open mpi. When I attempt to run the
command: mpirun -np 2 /home/student/relax-4.0.2/relax -multi='mpi4py' -tee
log dauvergne_protocol.py

I receive this error

Usage: relax [options] [script_file]

RelaxError: incorrect number of arguments
Usage: relax [options] [script_file]

RelaxError: incorrect number of arguments

I am using a fedora linux computer. This is for attempting to use
multiprocessors for model-free anlysis.


On Tue, Aug 30, 2016 at 10:05 AM, Edward d'Auvergne <edward@xxxxxxxxxxxxx>
wrote:

On 30 August 2016 at 17:08, Mahdi, Sam <sam.mahdi.846@xxxxxxxxxxx> wrote:
Hi Edward,

Thanks for the quick reply. In the "Further Details" section that shows
the
email archive. When Dr. Thompson is setting up the code to run relax in a
multi-processor mode he uses the commands "lamboot" and "lamhalt". From
what
I could find, these are commands from the lam/mpi program and not open
mpi.
I know in the manual in "usage of the multi-processor" page, it shows the
open mpi command "mpirun", but that is the only indication I've seen of
using open mpi to start relax in multi-processor mode.

I think the old mpi4py can handle these older MPI implementations as
well.  Anyway, you only need that "mpirun" command.

Regards,

Edward



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