Re: errors in mf-multimodel.py with Monte Carlo simulations -- December 21, 2006 - 12:39

Hi Hongyan,

I think the problem here is that you are trying to run the error
analysis on a set of monte carlo simulations without first setting up
and optimising the simulations. Take a look at the sample script
model_free.py for an example of how to run the monte carlo simulations
(the block of code near the bottom of that file, that is commented out
by default).

Chris


On Thu, 2006-12-21 at 10:10 +0800, Hongyan Li wrote:
> Dear relax-users,
> When I run mf-multimodel.py without Monte Carlo simulations, relax runs 
> okay.
> But when I incorporate Monte Carlo simulations, relax encounter problems 
> from
> m5 as follow, while no errors for m0 to m4. Any ideas what isthe problem ? 
>
> 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 "/data2/usr-local/relax-1.2.9/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 "/data2/usr-local/relax-1.2.9/prompt/interpreter.py", line 388, in
> run_script
>
>     console.interact(intro, local, script_file, quit)
>
>   File "/data2/usr-local/relax-1.2.9/prompt/interpreter.py", line 340, in
> interact_script
>
>     execfile(script_file, local)
>
>   File "mf-multimodel.py", line 45, in ?
>
>     monte_carlo.error_analysis(name)
>
>   File "/data2/usr-local/relax-1.2.9/prompt/monte_carlo.py", line 145, in
> error_analysis
>
>     self.__relax__.generic.monte_carlo.error_analysis(run=run, prune=prune)
>
>   File "/data2/usr-local/relax-1.2.9/generic_fns/monte_carlo.py", line 219, 
> in
> error_analysis
>
>     Xav = Xsum / float(n)
>
> ZeroDivisionError: float division
>
>
> Dr. Hongyan Li
> Department of Chemistry
> The University of Hong Kong
> Pokfulam Road
> Hong Kong
>
>
> Dr. Hongyan Li
> Department of Chemistry
> The University of Hong Kong
> Pokfulam Road
> Hong Kong
>
>
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