[MMTK] new FF terms: bug in Python implementation

Qadir Timerghazin qadir.timerghazin at gmail.com
Wed Apr 8 18:39:39 UTC 2009


Hi All,

I am trying to implement a new FF term using pure Python (without C or
Pyrex interfaces). However, it looks like the pure Python solution is
broken: the mdtest.py example in
Examples/Forcefield/HarmonicOscillator/Python crashes with
segmentation fault. This is a very consistent behaviour: it happens
both for Linux and Mac OS installations, and for the MMTK versions
2.5.17 to 2.5.24 (didn't test the earlier versions). I asked several
colleagues to run the test with their MMTK installations, and they
also get segfaults. Any ideas how to make it work?

Thanks in advance!

Cheers,
Qadir

--
Dr. Qadir K. Timerghazin,
NSERC Postdoctoral Fellow

Department of Chemistry
University of Waterloo
200 University Avenue West
Waterloo, ON, Canada N2L 3G1



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