URL:
<http://gna.org/bugs/?20934>
Summary: modelfree calculation halts with the following
exception
Project: relax
Submitted by: None
Submitted on: Fri Jun 28 13:39:04 2013
Category: relax sample scripts
Severity: 3 - Normal
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name: Jo Claridge
Originator Email: jolyon.claridge@xxxxxxxxxxxxxx
Open/Closed: Open
Discussion Lock: Any
Release: 2.2.0
Operating System: None
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Details:
Exception raised in thread.
Traceback (most recent call last):
File
"/home/sbgrid/programs/x86_64-linux/relax/2.2.0/gui/analyses/execute.py", line
87, in run
self.run_analysis()
File
"/home/sbgrid/programs/x86_64-linux/relax/2.2.0/gui/analyses/auto_model_free.py",
line 808, in run_analysis
dauvergne_protocol.dAuvergne_protocol(pipe_name=self.data.pipe_name,
pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir,
diff_model=self.data.global_models, mf_models=self.data.mf_models,
local_tm_models=self.data.local_tm_models, grid_inc=self.data.inc,
diff_tensor_grid_inc=self.data.diff_tensor_grid_inc,
mc_sim_num=self.data.mc_sim_num, max_iter=self.data.max_iter,
conv_loop=self.data.conv_loop)
File
"/home/sbgrid/programs/x86_64-linux/relax/2.2.0/auto_analyses/dauvergne_protocol.py",
line 234, in __init__
self.execute()
File
"/home/sbgrid/programs/x86_64-linux/relax/2.2.0/auto_analyses/dauvergne_protocol.py",
line 558, in execute
self.multi_model(local_tm=True)
File
"/home/sbgrid/programs/x86_64-linux/relax/2.2.0/auto_analyses/dauvergne_protocol.py",
line 808, in multi_model
self.interpreter.grid_search(inc=self.grid_inc)
File "/home/sbgrid/programs/x86_64-linux/relax/2.2.0/prompt/uf_objects.py",
line 219, in __call__
self._backend(*new_args, **uf_kargs)
File
"/home/sbgrid/programs/x86_64-linux/relax/2.2.0/generic_fns/minimise.py", line
140, in grid_search
grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints,
verbosity=verbosity)
File
"/home/sbgrid/programs/x86_64-linux/relax/2.2.0/specific_fns/model_free/mf_minimise.py",
line 1498, in grid_search
self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc,
constraints=constraints, verbosity=verbosity, sim_index=sim_index)
File
"/home/sbgrid/programs/x86_64-linux/relax/2.2.0/specific_fns/model_free/mf_minimise.py",
line 1769, in minimise
self._minimise_data_setup(data_store, min_algor, num_data_sets,
opt_params.min_options, spin=spin, sim_index=sim_index)
File
"/home/sbgrid/programs/x86_64-linux/relax/2.2.0/specific_fns/model_free/mf_minimise.py",
line 1087, in _minimise_data_setup
err = spin.ri_data_err[ri_id]
KeyError: '950noe'
top 10 lines of original data file is attached
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File Attachments:
-------------------------------------------------------
Date: Fri Jun 28 13:39:04 2013 Name: het950.dat Size: 340B By: None
<http://gna.org/bugs/download.php?file_id=18184>
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Reply to this item at:
<http://gna.org/bugs/?20934>
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[bug #20934] modelfree calculation halts with the following exception