Re: Monte Carlo problem with model-free.py and relax1.3.3 -- April 28, 2009 - 10:10

Hi,

Welcome to the relax mailing lists.  This is quite a peculiar error, I
haven't seen that one before.  Would you be able to submit a bug
report for this problem?  This can be done at
https://gna.org/bugs/?group=relax.  Thanks.  Also, if you create a
tiny data set which reproduces this error and attach all necessary
files to the report, this will allow me to very quickly find and fix
the bug.  I will then be able to add this to the test suite, helping
debugging and preventing the bug from returning.  If the data is
sensitive, then you could randomise the numbers a bit or change the
spin names, just as long as the bug is reproduced.

Cheers,

Edward


On Tue, Apr 28, 2009 at 9:55 AM, Martinek Tamas
<martinek@xxxxxxxxxxxxxxxxx> wrote:
> Hi,
>
> I recently installed relax-1.3.3 from source on a RH9. The sample script
> model-free.py runs nicely without monte carlo error estimaton. When the
> monte carlo step is included, I get the following error:
>
> Traceback (most recent call last):
>  File "/usr/local/bin/relax", line 422, in ?
>    Relax()
>  File "/usr/local/bin/relax", line 131, in __init__
>    self.interpreter.run(self.script_file)
>  File "/usr/local/relax/prompt/interpreter.py", line 270, in run
>    return run_script(intro=self.__intro_string, local=self.local,
> script_file=script_file, quit=self.__quit_flag,
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/usr/local/relax/prompt/interpreter.py", line 531, in run_script
>    return console.interact(intro, local, script_file, quit,
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/usr/local/relax/prompt/interpreter.py", line 427, in
> interact_script
>    execfile(script_file, local)
>  File "model-free.py", line 78, in ?
>    monte_carlo.initial_values()
>  File "/usr/local/relax/prompt/monte_carlo.py", line 165, in initial_values
>    monte_carlo.initial_values()
>  File "/usr/local/relax/generic_fns/monte_carlo.py", line 269, in
> initial_values
>    init_sim_values()
>  File "/usr/local/relax/specific_fns/model_free/main.py", line 2938, in
> sim_init_values
>    object = getattr(cdp, object_name)
> AttributeError: 'PipeContainer' object has no attribute 'chi2'
>
> The chi2 is properly calculated during the first minimization before MC, and
> dumped in the results file. I get this error message with the test data
> (noe.500.out, r1.500.out, etc.) too.
>
> Thanks!
>
> Tamas
>
>
>
>
> =====================================
> Tamas Martinek, PhD
> associate professor
> Institute of Pharmaceutical Chemistry
> University of Szeged
> 6720 Szeged Eotvos u. 6, Hungary
> phone: +36 62 545768
> fax:   +36 62 545705
> =====================================
>
>
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