[MMTK] Auto-discard notification

Konrad Hinsen konrad.hinsen at cea.fr
Mon Mar 27 17:17:02 CEST 2006


On Mar 27, 2006, at 12:08, mmtk-bounces at python.net wrote:

> The attached message has been automatically discarded.
> From: Ludovic Pétain <lpetain at euroscreen.be>

Please subscribe to the list using that address! It's only a matter  
of chance that this message was not thrown away by my spam filter.

> When I run this file :
>
> Traceback (most recent call last):
>
>   File "c:\python23\lib\site-packages\modules\pymol\parser.py",  
> line 206, in parse
>
>     execfile(exp_path(args[nest][0]),pymol_names,pymol_names)
>
>   File "C:/Python23/minimization_of_a_structure2.py", line 35, in ?
>
>   File "C:\PYTHON23\Lib\site-packages\MMTK\Universe.py", line 629,  
> in energy
>
>     eval = self.energyEvaluator(subset1, subset2)
>
>   File "C:\PYTHON23\Lib\site-packages\MMTK\Universe.py", line 615,  
> in energyEvaluator
>
>     threads, mpi_communicator)
>
>   File "C:\PYTHON23\Lib\site-packages\MMTK\ForceFields 
> \ForceField.py", line 177, in __init__
>
>     self.configuration = self.universe.configuration()
>
>   File "C:\PYTHON23\Lib\site-packages\MMTK\Universe.py", line 349,  
> in configuration
>
>     self._spec.foldCoordinatesIntoBox(coordinates)
>
> TypeError: argument 1 must be array, not array
>
>
>
> I have not really understand this error.

This looks very much like an inconsistent installation. Obviously you  
are using Python 2.3 under Windows, but what versions of Numeric,  
ScientificPython, and MMTK are you using? Did you install from the  
source code distribution or from binaries? In the latter case, which  
binaries?

Konrad.
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Konrad Hinsen
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E-Mail: konrad.hinsen at cea.fr
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