URL:
<http://gna.org/bugs/?17314>
Summary: Failure in the end stages of the dauvergne_protocol
in the GUI.
Project: relax
Submitted by: bugman
Submitted on: Tue 14 Dec 2010 08:03:26 AM GMT
Category: GUI
Severity: 5 - Blocker
Priority: 7 - High
Status: None
Privacy: Public
Assigned to: michaelbieri
Originator Name:
Originator Email:
Open/Closed: Open
Discussion Lock: Any
Release: Branches
Operating System: All systems
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Details:
= Description =
I have tested the full model-free analysis of the dauvergne_protocol in the
GUI and have encountered a failure at the very end - after a week of
calculations.
= Directory listing =
If I type 'ls *', I get:
----
[edau@localhost relax_gui]$ ls *
1G68_plus_H.pdb@
consistent_Ambler_600_R1_plus_sequence_erreur_min_mean@
Ambler_PSE-4.seq@
consistent_Ambler_600_R2_plus_sequence_erreur_min_mean@
consistent_Ambler_500_NOE_plus_sequence_erreur_min_mean@
consistent_Ambler_800_NOE_plus_sequence_erreur_min_mean@
consistent_Ambler_500_R1_plus_sequence_erreur_min_mean@
consistent_Ambler_800_R1_plus_sequence_erreur_min_mean@
consistent_Ambler_500_R2_plus_sequence_erreur_min_mean@ pse-4.bz2
consistent_Ambler_600_NOE_plus_sequence_erreur_min_mean@
ellipsoid:
init/ round_1/ round_10/ round_2/ round_3/ round_4/ round_5/ round_6/
round_7/ round_8/ round_9/
local_tm:
aic/ tm0/ tm1/ tm2/ tm3/ tm4/ tm5/ tm6/ tm7/ tm8/ tm9/
oblate:
init/ round_1/ round_10/ round_11/ round_12/ round_2/ round_3/
round_4/ round_5/ round_6/ round_7/ round_8/ round_9/
prolate:
init/ round_1/ round_10/ round_11/ round_12/ round_2/ round_3/
round_4/ round_5/ round_6/ round_7/ round_8/ round_9/
sphere:
init/ round_1/ round_10/ round_2/ round_3/ round_4/ round_5/ round_6/
round_7/ round_8/ round_9/
[edau@localhost relax_gui]$
----
Therefore the calculations are almost complete. The 'final' directory is
missing.
= Error message =
The printout in the relax controller at the end is:
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Successfully calculated the ellipsoid global model.
___________________________________________________
Starting model-free calculation
-------------------------------
relax> pipe.create(pipe_name='local_tm', pipe_type='mf')
relax> results.read(file='results',
dir='/media/disk/relax/sebastian/for_Edward/PSE-4/relax_gui/local_tm/aic')
Opening the file
'/media/disk/relax/sebastian/for_Edward/PSE-4/relax_gui/local_tm/aic/results.bz2'
for reading.
relax> pipe.create(pipe_name='sphere', pipe_type='mf')
Unhandled exception in thread started by
Traceback (most recent call last):
File
"/media/disk/relax/branches/bieri_gui/gui_bieri/analyses/auto_model_free.py",
line 866, in execute_thread
dAuvergne_protocol(save_dir=data.save_dir, diff_model=global_model,
mf_models=data.mf_models, local_tm_models=data.local_tm_models,
pdb_file=data.structure_file, seq_args=data.seq_args, het_name=data.het_name,
relax_data=data.relax_data, unres=data.unres, exclude=data.exclude,
bond_length=data.bond_length, csa=data.csa, hetnuc=data.hetnuc,
proton=data.proton, grid_inc=data.inc, min_algor=data.min_algor,
mc_num=data.mc_num, max_iter=data.max_iter, conv_loop=data.conv_loop)
File
"/media/disk/relax/branches/bieri_gui/auto_analyses/dauvergne_protocol.py",
line 428, in __init__
self.interpreter.pipe.create(model, 'mf')
File "/media/disk/relax/branches/bieri_gui/prompt/pipe.py", line 135, in
create
pipes.create(pipe_name=pipe_name, pipe_type=pipe_type)
File "/media/disk/relax/branches/bieri_gui/generic_fns/pipes.py", line 104,
in create
ds.add(pipe_name=pipe_name, pipe_type=pipe_type)
File "/media/disk/relax/branches/bieri_gui/data/__init__.py", line 163, in
add
raise RelaxPipeError(pipe_name)
relax_errors.RelaxPipeError: RelaxError: The data pipe 'sphere' already
exists.
_______________________________________________________
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<http://gna.org/bugs/?17314>
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[bug #17314] Failure in the end stages of the dauvergne_protocol in the GUI.