Re: r20981 - in /branches/relax_disp/specific_analyses/relax_disp: api.py optimisation.py -- September 11, 2013 - 19:04

Hi,

I should work fine.  I'm running some rough tests now.  It will be
difficult to come up with good tests though as the different
optimisation classes (grid search, standard optimisation, clustered
and non-clustered), different models, and different systems
(multi-core vs. a real cluster) will all result in different scaling
efficiencies.  Feel free to play around with it and see how it
performs on your cluster.  For some of your aims, it may prove to not
be of any benefit.

Regards,

Edward



On 11 September 2013 18:39, Troels Emtekær Linnet <tlinnet@xxxxxxxxx> wrote:
> Hi Edward.
>
> I just tried it out, and I got it to work. :-)
>
> I added these sections to the wiki:
> http://wiki.nmr-relax.com/Installation_linux#mpi4py
> http://wiki.nmr-relax.com/Installation_linux#Script_for_running_the_disp_branch_of_relax_with_maximum_number_of_processors_available
>
> Section on mpi4py
> http://wiki.nmr-relax.com/Mpi4py
>
> Should some speed test be provided here?
>
> Looking forward to try it !
>
> Troels Emtekær Linnet
>
>
> 2013/9/11 Edward d'Auvergne <edward.dauvergne@xxxxxxxxx>:
> > > That looks really interesting!
> >
> > :)
> >
> >
> > > Is there a special code which need to be specified to run with 
> > > multiprocesser.
> > > http://www.nmr-relax.com/manual/Usage_multi_processor.html
> >
> > The code will run on the uni-processor or the multi-processor.  It's
> > the same code.
> >
> >
> > > Would you have to start relax with this mpirun, and analyse a script?
> > > mpirun -np 257 /usr/local/bin/relax -multi=`mpi4py' -tee log
> > > dauvergne_protocol.py
> >
> > No, you can run relax as you normally would, but replace the 'relax'
> > at the start with:
> >
> > mpirun -np N+1 /usr/local/bin/relax -multi=`mpi4py'
> >
> > where N is the number of slaves you have.  See the mpirun
> > documentation for details - this is not part of relax.  This code runs
> > in the GUI, the script UI and the prompt UI, i.e. everywhere!
> >
> > Regards,
> >
> > Edward