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Relax 1.3.12

18 bytes added, 20:58, 5 October 2020
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This is a major feature release which adds the ability to run relax on [http://www.nmr-relax.com/manual/multi_processor_framework.html clusters or grids of computers via the MPI protocol]. This merges in [https://gna.org/users/varioustoxins 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://www.nmr-relax.com/mail.gna.org/public/relax-devel/2007-05/msg00000.html.
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