Hi Edward,
I've sorted out the corrupt data files and started again with model-free.py.
(New data files attached to bug #7755). Models 1-4 seem to run OK. Model 5
gives the following error after MC simulations.
relax> minimise(*args=('newton',), run='m5', func_tol=1e-25,
max_iterations=10000000, constraints=1, scaling=1, print_flag=1)
Simulation 1
Simulation 2
Simulation 3
Simulation 4
Simulation 5
Simulation 6
Simulation 7
Simulation 8
Simulation 9
Simulation 10
relax> eliminate(run='m5', function=None, args=None)
relax> monte_carlo.error_analysis(run='m5', prune=0.0)
Traceback (most recent call last):
File "/usr/local/bin/relax", line 454, in ?
Relax()
File "/usr/local/bin/relax", line 166, in __init__
self.interpreter.run()
File "/usr/local/relax/prompt/interpreter.py", line 213, in run
run_script(intro=self.relax.intro_string, local=self.local,
script_file=self.relax.script_file, quit=1)
File "/usr/local/relax/prompt/interpreter.py", line 388, in run_script
console.interact(intro, local, script_file, quit)
File "/usr/local/relax/prompt/interpreter.py", line 340, in interact_script
execfile(script_file, local)
File "model-free2.py", line 57, in ?
monte_carlo.error_analysis(name)
File "/usr/local/relax/prompt/monte_carlo.py", line 145, in error_analysis
self.__relax__.generic.monte_carlo.error_analysis(run=run, prune=prune)
File "/usr/local/relax/generic_fns/monte_carlo.py", line 219, in
error_analysis
Xav = Xsum / float(n)
ZeroDivisionError: float division
I also ran the modsel.py script specifying models 1-4. I still get the same
"list index out of range" error.
relax> eliminate(run=None, function=None, args=None)
Traceback (most recent call last):
File "/usr/local/software/relax-1.2/relax", line 454, in ?
Relax()
File "/usr/local/software/relax-1.2/relax", line 166, in __init__
self.interpreter.run()
File "/usr/local/software/relax-1.2/prompt/interpreter.py", line 213, in run
run_script(intro=self.relax.intro_string, local=self.local,
script_file=self.relax.script_file, quit=1)
File "/usr/local/software/relax-1.2/prompt/interpreter.py", line 388, in
run_script
console.interact(intro, local, script_file, quit)
File "/usr/local/software/relax-1.2/prompt/interpreter.py", line 340, in
interact_script
execfile(script_file, local)
File "modsel.py", line 20, in ?
eliminate()
File "/usr/local/software/relax-1.2/prompt/eliminate.py", line 97, in
eliminate
self.relax.generic.eliminate.eliminate(run=run, function=function,
args=args)
File "/usr/local/software/relax-1.2/generic_fns/eliminate.py", line 100, in
eliminate
values = param_values(self.run, i, sim_index=j)
File "/usr/local/software/relax-1.2/specific_fns/model_free.py", line 1499,
in get_param_values
self.param_vector = self.assemble_param_vector(index=index,
sim_index=sim_index)
File "/usr/local/software/relax-1.2/specific_fns/model_free.py", line 223,
in assemble_param_vector
param_vector.append(self.relax.data.res[self.run][i].s2_sim[sim_index])
IndexError: list index out of range
Cheers,
Stephen
-----Original Message-----
From: Edward d Auvergne [mailto:NO-REPLY.INVALID-ADDRESS@xxxxxxx]
Sent: Wed 11/22/2006 5:38 AM
To: Edward d Auvergne; Headey, Stephen; relax-devel@xxxxxxx
Cc:
Subject: [bug #7755] modsel.py error with "eliminate"
Update of bug #7755 (project relax):
Status: None => Confirmed
Operating System: GNU/Linux => All systems
_______________________________________________________
Follow-up Comment #1:
The problem here is that the Monte Carlo simulation data structures are not
being properly recreated by the model-free results reading functions. I
tried this using 10 Monte Carlo simultations together with the relaxation
data attached to bug #7787 (https://gna.org/bugs/?7787). After reading the
results files, self.relax.data.sim_number[run] was set to 1300! This is 10
times 130 spins! Hence elements beyond the end of the Monte Carlo simulation
arrays (of length 10) are being accessed.
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?7755>
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RE: [bug #7755] modsel.py error with "eliminate" - still happening!