r21015 - /trunk/pipe_control/minimise.py -- October 07, 2013 - 21:54

Author: bugman
Date: Mon Oct  7 21:54:45 2013
New Revision: 21015

URL: http://svn.gna.org/viewcvs/relax?rev=21015&view=rev
Log:
Fix for the Monte Carlo simulation parallisation.

The processor.run_queue() method needs to be executed for all the 
optimisation user function of
relax (at the end of both the grid_search() and the calc() functions).  
Otherwise when removing the
processor.run_queue() call from the specific_analyses code results in a 
failure of the grid search
or back-calculation to be run until the minimise() user function call, which 
will be too late.


Modified:
    trunk/pipe_control/minimise.py

Modified: trunk/pipe_control/minimise.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/minimise.py?rev=21015&r1=21014&r2=21015&view=diff
==============================================================================
--- trunk/pipe_control/minimise.py (original)
+++ trunk/pipe_control/minimise.py Mon Oct  7 21:54:45 2013
@@ -81,6 +81,13 @@
     else:
         calculate(verbosity=verbosity)
 
+    # Get the Processor box singleton (it contains the Processor instance) 
and alias the Processor.
+    processor_box = Processor_box() 
+    processor = processor_box.processor
+
+    # Execute any queued commands.
+    processor.run_queue()
+
 
 def grid_search(lower=None, upper=None, inc=None, constraints=True, 
verbosity=1):
     """The grid search function.
@@ -139,6 +146,13 @@
     # Grid search.
     else:
         grid_search(lower=lower, upper=upper, inc=inc, 
constraints=constraints, verbosity=verbosity)
+
+    # Get the Processor box singleton (it contains the Processor instance) 
and alias the Processor.
+    processor_box = Processor_box() 
+    processor = processor_box.processor
+
+    # Execute any queued commands.
+    processor.run_queue()
 
 
 def minimise(min_algor=None, line_search=None, hessian_mod=None, 
hessian_type=None, func_tol=None, grad_tol=None, max_iter=None, 
constraints=True, scaling=True, verbosity=1, sim_index=None):