Author: bugman
Date: Mon Oct 14 20:18:44 2013
New Revision: 21100
URL: http://svn.gna.org/viewcvs/relax?rev=21100&view=rev
Log:
Merged revisions 21099 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r21099 | bugman | 2013-10-14 20:18:11 +0200 (Mon, 14 Oct 2013) | 11 lines
Modified the Monte Carlo simulation printout behaviour for the minimisation
related user functions.
This is to help in fixing bug #21190 (https://gna.org/bugs/?21190).
This includes the calculate, grid_search, and minimise user functions. The
new multi-processor
is_queued() method is used to determine if the optimisation code of the
specific analysis has queued
rather than run the calculations. If queued, the 'Simulation X' text will
not be printed out. This
avoids printing out all the text at the start before anything has happened.
The specific
multi-processor optimisation code must provide it's own printouts when each
calculation is complete.
........
Modified:
branches/relax_disp/ (props changed)
branches/relax_disp/pipe_control/minimise.py
Propchange: branches/relax_disp/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Mon Oct 14 20:18:44 2013
@@ -1,1 +1,1 @@
-/trunk:1-21097
+/trunk:1-21099
Modified: branches/relax_disp/pipe_control/minimise.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/pipe_control/minimise.py?rev=21100&r1=21099&r2=21100&view=diff
==============================================================================
--- branches/relax_disp/pipe_control/minimise.py (original)
+++ branches/relax_disp/pipe_control/minimise.py Mon Oct 14 20:18:44 2013
@@ -54,14 +54,14 @@
# Deselect spins lacking data:
overfit_deselect()
+ # Get the Processor box singleton (it contains the Processor instance)
and alias the Processor.
+ processor_box = Processor_box()
+ processor = processor_box.processor
+
# Monte Carlo simulation calculation.
if hasattr(cdp, 'sim_state') and cdp.sim_state == 1:
# Loop over the simulations.
for i in range(cdp.sim_number):
- # Print out.
- if verbosity:
- print("Simulation " + repr(i+1))
-
# Status.
if status.current_analysis:
status.auto_analysis[status.current_analysis].mc_number = i
@@ -70,6 +70,10 @@
# Calculation.
calculate(verbosity=verbosity-1, sim_index=i)
+
+ # Print out.
+ if verbosity and not processor.is_queued():
+ print("Simulation " + repr(i+1))
# Unset the status.
if status.current_analysis:
@@ -80,10 +84,6 @@
# Minimisation.
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()
@@ -120,14 +120,14 @@
# Deselect spins lacking data:
overfit_deselect()
+ # Get the Processor box singleton (it contains the Processor instance)
and alias the Processor.
+ processor_box = Processor_box()
+ processor = processor_box.processor
+
# Monte Carlo simulation grid search.
if hasattr(cdp, 'sim_state') and cdp.sim_state == 1:
# Loop over the simulations.
for i in range(cdp.sim_number):
- # Print out.
- if verbosity:
- print("Simulation " + repr(i+1))
-
# Status.
if status.current_analysis:
status.auto_analysis[status.current_analysis].mc_number = i
@@ -136,6 +136,10 @@
# Optimisation.
grid_search(lower=lower, upper=upper, inc=inc,
constraints=constraints, verbosity=verbosity-1, sim_index=i)
+
+ # Print out.
+ if verbosity and not processor.is_queued():
+ print("Simulation " + repr(i+1))
# Unset the status.
if status.current_analysis:
@@ -146,10 +150,6 @@
# 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()
@@ -209,6 +209,10 @@
# Deselect spins lacking data:
overfit_deselect()
+ # Get the Processor box singleton (it contains the Processor instance)
and alias the Processor.
+ processor_box = Processor_box()
+ processor = processor_box.processor
+
# Single Monte Carlo simulation.
if sim_index != None:
minimise(min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iter,
constraints=constraints, scaling=scaling, verbosity=verbosity,
sim_index=sim_index)
@@ -216,10 +220,6 @@
# Monte Carlo simulation minimisation.
elif hasattr(cdp, 'sim_state') and cdp.sim_state == 1:
for i in range(cdp.sim_number):
- # Print out.
- if verbosity:
- print("Simulation " + repr(i+1))
-
# Status.
if status.current_analysis:
status.auto_analysis[status.current_analysis].mc_number = i
@@ -228,6 +228,10 @@
# Optimisation.
minimise(min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iter,
constraints=constraints, scaling=scaling, verbosity=verbosity-1, sim_index=i)
+
+ # Print out.
+ if verbosity and not processor.is_queued():
+ print("Simulation " + repr(i+1))
# Unset the status.
if status.current_analysis:
@@ -238,10 +242,6 @@
# Standard minimisation.
else:
minimise(min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iter,
constraints=constraints, scaling=scaling, 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()
r21100 - in /branches/relax_disp: ./ pipe_control/minimise.py