[bug #21715] Failure of the relaxation dispersion auto-analysis when running a clustered analysis (IndexError) -- February 23, 2014 - 22:12

URL:
  <http://gna.org/bugs/?21715>

                 Summary: Failure of the relaxation dispersion auto-analysis
when running a clustered analysis (IndexError)
                 Project: relax
            Submitted by: bugman
            Submitted on: Sun 23 Feb 2014 09:12:00 PM UTC
                Category: relax's source code
Specific analysis category: Relaxation dispersion
                Priority: 5 - Normal
                Severity: 3 - Normal
                  Status: None
             Assigned to: bugman
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
                 Release: 3.1.5
         Discussion Lock: Any
        Operating System: All systems

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Details:

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




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