bugrelax - Bugs: bug #21715, Failure of the relaxation...

 
 
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bug #21715: Failure of the relaxation dispersion auto-analysis when running a clustered analysis (IndexError)

Submitted by:  Edward d Auvergne <bugman>
Submitted on:  Sun 23 Feb 2014 09:12:00 PM UTC  
 
Category: relax's source codeSpecific analysis category: Relaxation dispersion
Priority: 5 - NormalSeverity: 3 - Normal
Status: FixedAssigned to: Edward d Auvergne <bugman>
Originator Name: Open/Closed: Closed
Release: 3.1.5Operating System: All systems

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Tue 25 Feb 2014 08:23:31 AM UTC, SVN revision 22298:

Merged revisions 22295 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/trunk

........
r22295 | bugman | 2014-02-25 09:13:32 +0100 (Tue, 25 Feb 2014) | 6 lines

Complete support for deselected spins has been added to the relaxation dispersion analysis.

This fixes bug #21715 (https://gna.org/bugs/?21715), the failure of the relaxation dispersion
auto-analysis when running a clustered analysis due to an IndexError during minimisation.
........

(Browse SVN revision 22298)

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Tue 25 Feb 2014 08:20:26 AM UTC, SVN revision 22296:

Merged revisions 22289 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/trunk

........
r22289 | bugman | 2014-02-24 16:33:08 +0100 (Mon, 24 Feb 2014) | 6 lines

Created the Relax_disp.test_bug_21715_clustered_indexerror system test.

This is to catch bug #21715 (https://gna.org/bugs/?21715), the failure of the relaxation dispersion
auto-analysis when running a clustered analysis due to an IndexError during minimisation.
........

(Browse SVN revision 22296)

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Tue 25 Feb 2014 08:13:33 AM UTC, SVN revision 22295:

Complete support for deselected spins has been added to the relaxation dispersion analysis.

This fixes bug #21715 (https://gna.org/bugs/?21715), the failure of the relaxation dispersion
auto-analysis when running a clustered analysis due to an IndexError during minimisation.

(Browse SVN revision 22295)

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Mon 24 Feb 2014 03:40:00 PM UTC, comment #2:

This problem appears to be due to one of the spins in the cluster being deselected.

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Mon 24 Feb 2014 03:33:08 PM UTC, SVN revision 22289:

Created the Relax_disp.test_bug_21715_clustered_indexerror system test.

This is to catch bug #21715 (https://gna.org/bugs/?21715), the failure of the relaxation dispersion
auto-analysis when running a clustered analysis due to an IndexError during minimisation.

(Browse SVN revision 22289)

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Sun 23 Feb 2014 09:12:00 PM UTC, original submission:

In certain cases, the dispersion analysis fails with the following error:

relax> minimise(min_algor='simplex', line_search=None, hessian_mod=None, hessian_type=None, func_tol=1e-25, grad_tol=None, max_iter=10000000, constraints=True, scaling=True, verbosity=1)
Exception raised in thread.

Traceback (most recent call last):
File "/data/relax/relax-trunk/gui/analyses/execute.py", line 87, in run
self.run_analysis()
File "/data/relax/relax-trunk/gui/analyses/auto_relax_disp.py", line 698, in run_analysis
Relax_disp(pipe_name=self.data.pipe_name, pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir, models=self.data.models, grid_inc=self.data.inc, mc_sim_num=self.data.mc_sim_num, pre_run_dir=self.data.pre_run_dir, mc_sim_all_models=self.data.mc_sim_all_models, insignificance=self.data.insignificance, numeric_only=self.data.numeric_only)
File "/data/relax/relax-trunk/auto_analyses/relax_disp.py", line 116, in _init_
self.run()
File "/data/relax/relax-trunk/auto_analyses/relax_disp.py", line 451, in run
self.optimise(model=model)
File "/data/relax/relax-trunk/auto_analyses/relax_disp.py", line 353, in optimise
self.interpreter.minimise('simplex', func_tol=self.opt_func_tol, max_iter=self.opt_max_iterations, constraints=True)
File "/data/relax/relax-trunk/prompt/uf_objects.py", line 221, in _call_
self._backend(*new_args, **uf_kargs)
File "/data/relax/relax-trunk/pipe_control/minimise.py", line 244, in minimise
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)
File "/data/relax/relax-trunk/specific_analyses/relax_disp/api.py", line 1177, in minimise
scaling_matrix = assemble_scaling_matrix(spins=spins, scaling=scaling)
File "/data/relax/relax-trunk/specific_analyses/relax_disp/parameters.py", line 99, in assemble_scaling_matrix
scaling_matrix[param_index, param_index] = 10
IndexError: index (16) out of range (0<=index<16) in dimension 0

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.

 

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    Follow 2 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Tue 25 Feb 2014 08:14:54 AM UTCbugmanStatusNone=>Fixed
      Open/ClosedOpen=>Closed
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