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[lammps-users] LAMMPS Python Error
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[lammps-users] LAMMPS Python Error


From: "Dr. Xiaofeng Duan" <duanx.ctr@...7032...>
Date: Tue, 01 Aug 2017 12:19:30 -0400

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 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