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Relax 1.3.14

28 bytes added, 09:10, 6 September 2014
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→‎Description: Transclusion markup for the summary page.
= Description =
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This is a major bug fix release focusing on memory usage, performance, and IO. The parallised model-free optimisation code (for running on clusters/grids using the multi-processor package) was causing relax to crash on 32-bit systems due to the system running out of virtual memory. The new version should only [https://mail.gna.org/public/relax-users/2012-03/msg00037.html require about a third of the memory of relax 1.3.13]. The parts of relax dealing with atomic or spin specific data (reading of spin systems from PDB files, reading and writing of spin specific data, etc.) have been rewritten for efficiency and should now be many orders of magnitude faster for certain work loads. There have also been large improvements to the multi-processor framework, specifically the creation of a public API and a reference implementation. In addition there are improvements for IO capture on both the uni-processor and mpi4py-processor fabrics for relaying slave messages back to the master, better integration with the GUI and compatibility with the logging and teeing command line flags. Other changes include expansion of the relax information print out, support for numpy data structures in save files, and the addition of the [http://www.nmr-relax.com/manual/rdc_delete.html rdc.delete] and [http://www.nmr-relax.com/manual/pcs_delete.html pcs.delete] user functions. Feel free to upgrade if you would like the benefits of this new version.
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