[MMTK] MMTK on W2k problems

Robin Maytum R.M.Maytum at kent.ac.uk
Mon Jul 14 17:50:54 EDT 2003


Konrad Hinsen wrote:
 
> On Monday 07 July 2003 19:09, Robin Maytum wrote:
> 
> > >>> from MMTK import *
> > >>> from MMTK.ForceFields import Amber94ForceField
> > >>> universe = InfiniteUniverse(Amber94ForceField())
> >
> > Traceback (most recent call last):
> >   File "<pyshell#3>", line 1, in ?
> >     universe = InfiniteUniverse(Amber94ForceField())
> >   File "c:\python22\Lib\site-packages\MMTK\Universe.py", line 901, in
> > __init__
> >     self._createSpec()
> >   File "c:\python22\Lib\site-packages\MMTK\Universe.py", line 919, in
> > _createSpec
> >     from MMTK_universe import InfiniteUniverseSpec
> > ImportError: DLL load failed: The specified module could not be found.
> >
> > I'm guessing this has something to do with netcdf.dll ??
> 
> It shouldn't require netCDF at that stage. Assuming that MMTK_universe itself
> is there, the failure should be for Numeric, the only module that is imported
> by MMTK_universe.

Thanks for your reply - this seems to have been caused by a compilation
error. I eventually managed to solve it by re-exporting the python22.dll
using pexports 0.42 and recompiling rather than using the python dll
converter lib2def.py from py-MinGW32-tools.zip

>From my latest post I've now got a semi-working installation, it just
crashes when I try to load any of the energy minimization routines :( 
 
> > On building MMTK using mingw32 there are a very large number of warnings
> > during the build process, mainly referring to unused variables, things
> > defined and not used and a set of warnings in lapack like this :-
> 
> Forget about the LAPACK stuff, this is due to the peculiar coding style
> produced by f2c. It's probably also safe to forget about the other stuff. I
> have tried to minimize warnings such as the ones you mention, but the many
> compile-time options often don't leave much choice. It's either the warning,
> or a lot of complexity to get rid of it.

Thanks ! It's reassuring to know that most of it isn't anything to worry
about. Again it might be worth putting a note to this effect along with
the install instructions for those of us who are a little less used to
dealing with these things, but are keen on getting them working !

Robin

Dr. Robin Maytum, Dept. Biosciences, University of Kent, Canterbury, UK



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