mailRe: r20981 - in /branches/relax_disp/specific_analyses/relax_disp: api.py optimisation.py


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Posted by Edward d'Auvergne on September 11, 2013 - 16:12:
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



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