Re: Using multi-processor for nmr relax

2016-08-31 Thread Mahdi, Sam
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 
wrote:

> On 30 August 2016 at 17:08, Mahdi, Sam  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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Re: Using multi-processor for nmr relax

2016-08-30 Thread Edward d'Auvergne
On 30 August 2016 at 17:08, Mahdi, Sam  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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Re: Using multi-processor for nmr relax

2016-08-30 Thread Mahdi, Sam
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 
wrote:

> On 30 August 2016 at 02:57, Mahdi, Sam  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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Re: Using multi-processor for nmr relax

2016-08-30 Thread Edward d'Auvergne
On 30 August 2016 at 02:57, Mahdi, Sam  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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Using multi-processor for nmr relax

2016-08-29 Thread Mahdi, Sam
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).

Thank you
Sam
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