mailRe: Using multi-processor for nmr relax


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Posted by Mahdi, Sam on August 30, 2016 - 17:09:
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.

Thanks in advance.
Sam

On Tue, Aug 30, 2016 at 6:59 AM, Edward d'Auvergne <edward@xxxxxxxxxxxxx>
wrote:

On 30 August 2016 at 02:57, Mahdi, Sam <sam.mahdi.846@xxxxxxxxxxx> wrote:
Hello everyone,

I was looking to attempt to run relax on a multi-processor platform. I
was
looking at Gary Thompsons overview, and I realized it uses lam/mpi format
which is no longer provided. I've decided to use it's replacement, open
mpi. Is there any updated overview that uses open mpi? One that shows a
step by step guide for how to setup relax to run on multi-processors
(with
commands and outputs showed).

Hi Sam,

Gary Thompson's multi-processor system is based on OpenMPI.  Please see:

    http://www.nmr-relax.com/manual/The_multi_processor_framework.html

Which instructions are you referring to?

Regards,

Edward




Thank you
Sam
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