mailerrors in mf-multimodel.py with Monte Carlo simulations


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Posted by Hongyan Li on December 21, 2006 - 03:11:

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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