relax 1.3.12

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relax version 1.3.12
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Keywords Multi-processor, OpenMPI
Release type Major feature
Release date 22 August 2011

The PDF version of the relax 1.3.12 user manual The relax 1.3.12 user manual

Description

This is a major feature release which adds the ability to run relax on clusters or grids of computers via the MPI protocol. This merges in Gary Thompson's multi-processor branch which was started all the way back in 2007. The 'multi' package introduces two processor fabrics, the standard uni-processor mode and the mpi4py mode for using the MPI protocol with Python. The model-free analysis code has been parallelised to take advantage of the multi-processor modes, significantly speeding up calculations on clusters with near perfect scaling efficiency. The flexible 'multi' package can easily be extended for other multi-processor modes such as additional MPI implementations using different Python libraries (pypar, etc.), the use of SSH tunnels for parallel programming, use of the twisted framework for communication, or the parallel virtual machine (PVM) via pypvm. For more information on how to use this, see https://mail.gna.org/public/relax-devel/2007-05/msg00000.html.


Download

The new relax versions can be downloaded from http://www.nmr-relax.com/download.html. If binary distributions are not yet available for your platform and you manage to compile the binary modules, please consider contributing these to the relax project (described in section 3.6 of the relax manual, http://www.nmr-relax.com/manual/relax_distribution_archives.html).


CHANGES file

Version 1.3.12
(22 August 2011, from /1.3)
http://svn.gna.org/svn/relax/tags/1.3.12


Features

  • The multi-processor capabilities of Gary Thompson's multi package including both uniprocessor and mpi4py modes.


Changes

Too many to list.


Bugfixes

N/A


Links

For reference, the following links are also part of the announcement for this release:


Announcements

If you would like to receive announcements about new relax versions, please subscribe to the relax-announce mailing list using the relax-announce info page. This list only receives ~10 emails per year. It is archived at Gmane (thread, blog, NNTP, RSS), in the local archives, in The Mail Archive, and in the MARC (Mailing list ARChives).


See also