[MMTK] ImportError: undefined symbol: PyArray_API
Martin Wiechert
martin.wiechert@gmx.de
Mon, 28 May 2001 16:08:11 +0200
Hi!
I was playing with MMTK 2.2b5 on Linux 2.4 (SuSE 7.1) / python 2.1 / Numeric
20.0.
The example script at the end of the "Overview" chapter produces the
following error:
...
>>> # Run the integrator for 50 steps of 1 fs, printing time and energy
... # every fifth step and writing time, energy, temperature, and the
positions
... # of all atoms to the trajectory at each step.
... integrator(delta_t = 1.*Units.fs, steps = 50,
... actions = [StandardLogOutput(5),
... TrajectoryOutput(trajectory, ("time", "energy",
... "thermodynamic",
... "configuration"),
... 0, None, 1)])
Traceback (most recent call last):
File "<stdin>", line 9, in ?
File "/usr/lib/python2.1/site-packages/MMTK/Dynamics.py", line 140, in
__call__
mpi_communicator=comm)
File "/usr/lib/python2.1/site-packages/MMTK/Universe.py", line 603, in
energyEvaluator
threads, mpi_communicator)
File "/usr/lib/python2.1/site-packages/MMTK/ForceFields/ForceField.py",
line 177, in __init__
self.global_data)
File "/usr/lib/python2.1/site-packages/MMTK/ForceFields/MMForceField.py",
line 320, in evaluatorTerms
global_data)
File "/usr/lib/python2.1/site-packages/MMTK/ForceFields/ForceField.py",
line 91, in evaluatorTerms
global_data)
File "/usr/lib/python2.1/site-packages/MMTK/ForceFields/MMForceField.py",
line 85, in evaluatorTerms
global_data)
File
"/usr/lib/python2.1/site-packages/MMTK/ForceFields/BondedInteractions.py",
line 89, in evaluatorTerms
from MMTK_forcefield import HarmonicDistanceTerm, HarmonicAngleTerm, \
ImportError: undefined symbol: PyArray_API
That symbol is in /usr/include/python2.1/Numeric/arrayobject.h, but as I do
not understand much about linking I am still at a loss.
Please help.
Thanks,
Martin.