r27715 - /branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py -- February 24, 2015 - 09:34

Author: bugman
Date: Tue Feb 24 09:34:36 2015
New Revision: 27715

URL: http://svn.gna.org/viewcvs/relax?rev=27715&view=rev
Log:
Fix of a fatal bug preventing the frame order analysis to be run on a 
multi-processor system.

The multi-processor code was calling the count_sobol_points() function of the
specific_analyses.frame_order.optimisation module to give feedback when 
calling the minimise.execute
or minimise.calculate user functions.  However this was run in the slave 
command run() method, hence
would be executed on the slave.  The problem is that count_sobol_points() 
performs a number of
checks on the current data pipe, however the slaves do not have any data 
pipes set up.


Modified:
    branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py

Modified: 
branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py?rev=27715&r1=27714&r2=27715&view=diff
==============================================================================
--- 
branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py  
(original)
+++ 
branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py  
Tue Feb 24 09:34:36 2015
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2009-2014 Edward d'Auvergne                                  
 #
+# Copyright (C) 2009-2015 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax (http://www.nmr-relax.com).         
 #
 #                                                                            
 #
@@ -1181,6 +1181,11 @@
         self.verbosity = verbosity
         self.quad_int = quad_int
 
+        # Feedback on the number of integration points used (target function 
setup required).  This must be run here on the master and not in run() on the 
slave.
+        target_fn = Frame_order(model=self.model, 
init_params=self.param_vector, full_tensors=self.full_tensors, 
full_in_ref_frame=self.full_in_ref_frame, rdcs=self.rdcs, 
rdc_errors=self.rdc_err, rdc_weights=self.rdc_weight, rdc_vect=self.rdc_vect, 
dip_const=self.rdc_const, pcs=self.pcs, pcs_errors=self.pcs_err, 
pcs_weights=self.pcs_weight, atomic_pos=self.atomic_pos, temp=self.temp, 
frq=self.frq, paramag_centre=self.paramag_centre, 
scaling_matrix=self.scaling_matrix, com=self.com, 
ave_pos_pivot=self.ave_pos_pivot, pivot=self.pivot, pivot_opt=self.pivot_opt, 
sobol_max_points=self.sobol_max_points, 
sobol_oversample=self.sobol_oversample, quad_int=self.quad_int)
+        if not self.quad_int:
+            count_sobol_points(target_fn=target_fn, verbosity=self.verbosity)
+
         # Linear constraints.
         self.A, self.b = None, None
         if constraints:
@@ -1206,10 +1211,6 @@
 
         # Minimisation.
         results = generic_minimise(func=target_fn.func, args=(), 
x0=self.param_vector, min_algor=self.min_algor, min_options=self.min_options, 
func_tol=self.func_tol, grad_tol=self.grad_tol, maxiter=self.max_iterations, 
A=self.A, b=self.b, full_output=True, print_flag=self.verbosity)
-
-        # Feedback on the number of integration points used.
-        if not self.quad_int:
-            count_sobol_points(target_fn=target_fn, verbosity=self.verbosity)
 
         # Create the result command object on the slave to send back to the 
master.
         
processor.return_object(Frame_order_result_command(processor=processor, 
memo_id=self.memo_id, results=results, A_5D_bc=target_fn.A_5D_bc, 
pcs_theta=target_fn.pcs_theta, rdc_theta=target_fn.rdc_theta, 
completed=completed))