Hello,
I am trying to run a simulation using LAMMPS, but I keep getting an "Error while dumping state" message following the declaration of the number of special neighbors. I know that you won't be able to completely help me because my group has made some changes to suit our needs, but I was hoping you might be able to steer me in the right direction. I've attached two input files. The SphereDLCnoH.in is the simulation that is crashing. The other input file, qhexHfullHtest.in, runs with no problem. I've included it because it contains many of the same terms that we've added, but still doesn't give me any problems. The major differences are that the atom_style is molecular for one and full for the other. I've compared the atom_vec_molecular (or full) files, and they seem fairly identical except for the addition of the q term in the atom_vec_full.cpp file. The other difference is that the data file for SphereDLCnoH contains ~33000 atoms, and the data file
for qhexHfullHtest contains only ~15000 atoms. I don't think that should be a problem.
Can you think of anything else (for instance another file that would only be used by the molecular atom_style) that may be causing a memory dump?
Thank you for any help,
~Kate
qhexHfullHtest.in (1.55 KB)
SphereDLCnoH.in (1.59 KB)