[lammps-users] Error while dumping/Seg Fault

Hi Everyone,
I'm new to LAMMPS as well as C++, so I'm having a bit of trouble navigating the code. I was hoping you might be able to help me. I've tried to run two identical simulations of hydrogenated diamond {111} surfaces using LAMMPS except that one system uses the molecular atom_style and no charges, and the other includes charges and uses the full atom_style. With the system that includes charges, I get a stackdump file and the error:

"Setting up run...
12 [main] lmp 6876 _cygtls::handle_exceptions: Error while dumping state (probably corrupted stack)
Segmentation fault (core dumped)"

The other system with no charges runs with no problem. I thought that seg faults occurred when you exceeded your allotted memory or when you are trying to access memory that you are not allowed to, but I don't know why the addition of charges would cause this problem. I've attached my input file to see if you can see what I'm inputting incorrectly. Everything is identical between the two simulations except that I changed atom_style from full to molecular and the filename of the coordinate file is different since one file includes charges and the other does not. For debugging purposes, I left the potential as just airebo for both, although eventually I do want to include the coulomb potential for the system with charges. I had initially started with a hybrid airebo and coul/cut potential for the charged system, but got the same error, so I was trying to simplify.

Thanks for any suggestions,

qhexHfullHtest.in (1.46 KB)

Please post your 2 input scripts and 2 data files,
and I'll take a look. Does the crash happen right
away, and are you running on 1 proc?