relax SVN archive

svn+ssh://bugman@.../svn/relax/branches/frame_order_cleanup

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r24522 | bugman | 2014-07-11 10:46:21 +0200 (Fri, 11 Jul 2014) | 12 lines

Parallelised the frame order grid search to run on clusters or multi-core systems via OpenMPI.

This involved the creation of the Frame_order_grid_command class which is the multi-processor
Slave_command for performing the grid search. This was created by duplicating the
Frame_order_minimise_command class and then differentiating both classes.

For the subdivision of the grid search, the new minfx grid.grid_split_array() function is used in
the frame order grid() API method. The grid() method no longer calls the minimise() method but
instead obtains the processor box itself and adds the subdivided grid slaves to the processor. The
relax grid_search user function takes care of the rest.
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r24523 | bugman | 2014-07-11 12:01:20 +0200 (Fri, 11 Jul 2014) | 8 lines

Fixes for the parallelised grid search for the frame order analysis.

A chi-squared value check was added to the Frame_order_result_command.run() method to check if the
value is lower than the current when the result is returned to the master. Without this check, each
grid subdivision result will be stored as they are returned rather than storing the results from the
global minimum of the entire grid search.
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r24524 | bugman | 2014-07-11 15:38:59 +0200 (Fri, 11 Jul 2014) | 7 lines

Added a script for testing out the parameter nesting abilities of the frame order auto-analysis.

This script attempts to find the dynamics solution without knowing where the pivot is located.
Hence this will be as in the auto-analysis were this pivot point will be used as the base for all
other models.
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