Yes, I have replicated and confirmed bug #7755
(http://gna.org/bugs/?7755). I'm in the process of working out a
solution. The ZeroDivisionError is another bug I have encountered
whereby all Monte Carlo simulations have failed and have been
eliminated. Hence n, the number of Monte Carlo simulations is zero
and the error occurs. The problem here is that not enough MC
simulations have been run, but I'll fix the error message anyway.
Edward
On 11/24/06, Headey, Stephen <[EMAIL PROTECTED]> wrote:
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:[EMAIL PROTECTED]
Sent: Wed 11/22/2006 5:38 AM
To: Edward d Auvergne; Headey, Stephen; [email protected]
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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