[MMTK] Segmentation fault in VelocityVerletIntegrator with python forcefied

Jaroslaw Kalinowski jak at biogeo.uw.edu.pl
Tue Jun 14 16:20:32 CEST 2005


> On what platform do you get that? With which Python version?
> On my Mac I get a crash as well, but a different one.

Linux pluton 2.6.10-1.771_FC2 #1 Mon Mar 28 00:50:14 EST 2005 i686 athlon
i386 GNU/Linux
Python 2.3.3 (#1, May  7 2004, 10:31:40)
[GCC 3.3.3 20040412 (Red Hat Linux 3.3.3-7)] on linux2

> Anyway, this might take a while to get fixed. In the meantime, use the Pyrex 
> version, which doesn't have that problem.

I will try, but I'm not sure whether it is going to solve my problem.
What I would actually like to do is to use SCC-DFTB method as a potential 
and force generator. I have managed to wrap the fortran code using F2PY.
Then there is a Python class that initializes common blocks, handles unit 
conversion and eventually provides __call__ method to get energy and 
gradients. Thus also Pyrex extension will have to call Python object.

   Jarek Kalinowski


I have checked the code on a different platform:

Linux alkor 2.6.11-gentoo-r9 #1 SMP Fri May 27 17:45:25 CEST 2005 i686 AMD
Sempron(tm)   3000+ AuthenticAMD GNU/Linux
Python 2.3.5 (#1, May 24 2005, 08:51:30)
[GCC 3.3.5-20050130 (Gentoo 3.3.5.20050130-r1, ssp-3.3.5.20050130-1,
pie-8.7.7. on linux2

Program received signal SIGSEGV, Segmentation fault.
[Switching to Thread 16384 (LWP 30025)]
Error while running hook_stop:
Invalid type combination in ordering comparison.
0xb7ef8096 in PyFrame_New () from /usr/lib/libpython2.3.so.1.0
#0  0xb7ef8096 in PyFrame_New () from /usr/lib/libpython2.3.so.1.0
#1  0xb7d644d0 in _nl_default_dirname () from /lib/libc.so.6
#2  0xb7d644d0 in _nl_default_dirname () from /lib/libc.so.6
#3  0x00000000 in ?? ()
#4  0xb7fa1438 in ?? () from /usr/lib/libpython2.3.so.1.0
#5  0xb7fc5fec in PyFPE_counter () from /usr/lib/libpython2.3.so.1.0
#6  0x00000000 in ?? ()
#7  0xb7a778f8 in ?? ()
#8  0xb7f3d146 in PyEval_EvalCodeEx () from /usr/lib/libpython2.3.so.1.0
#9  0xd2f1a9fc in ?? ()




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