LAMMPS Python Error

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1

Hello,

I am new to the forum.
To test python in LAMMPS with 31Mar17 version on our SGI ICE X, I ran the sample input, examples/python/in.python with funcs.py. For the first two examples in the input, the test could pass, but it failed in example 3 with following errors:

.......
Total # of neighbors = 155984
Ave neighs/atom = 38.996
Neighbor list builds = 1
Dangerous builds = 0
LOOP ARGS 10 1.0 -4.0 <PyCObject object at 0x2aaac12ee760>
LOOP ARGS 10 1.0 -4.0 <PyCObject object at 0x2aaac0a6e760>
....
LOOP ARGS 10 1.0 -4.0 <PyCObject object at 0x2aaac0a6d788>
ERROR on proc 4: Python function evaluation failed (../python.cpp:253)
MPT ERROR: Rank 4(g:4) is aborting with error code 1.
         Process ID: 20215, Host: r13i3n17, Program: /p/home/apps/lammps/lammps-31Mar17/bin/lmp_thunder_g++
         MPT Version: SGI MPT 2.14 06/18/16 03:32:07

MPT: --------stack traceback-------
ERROR on proc 29: Python function evaluation failed (../python.cpp:253)
ERROR on proc 7: Python function evaluation failed (../python.cpp:253)
........

The binary was compiled with g++ 6.2.0 with MPT 2.14. I am not sure what caused the problem and how to fix it. Please advise.

Thanks,

Frank

2

please try the latest development version (24 Jul 2017). that one works for me.
there have been some tweaks and improvements to the python support since the last stable release.

axel.

3

In addition to your normal compile, did you compile LAMMPS as shared library and did you install the lammps.py package?

Best,
Richard