Hi Edward, I got the same error message for model 5 when I ran 300 simulations, so there must be some other factor at play, unless 300 is also not enough.
Cheers, Steve -----Original Message----- From: Edward d'Auvergne [mailto:[EMAIL PROTECTED] Sent: Fri 11/24/2006 9:29 PM To: Headey, Stephen Cc: Edward d Auvergne; [email protected] Subject: Re: [bug #7755] modsel.py error with "eliminate" - still happening! 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> > > _______________________________________________ > Message sent via/by Gna! > http://gna.org/ > > > > > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
