I am getting some strange behavior when using restart files.
in.ED is the initial input file, and uses read_data data.ED. This simulation works fine. At the end of it, I use write_restart restart.ED to generate a binary restart file.
I change in.ED to use read_restart restart.ED instead of the read_data command. This restarted simulation works successfully.
However, if I do
- restart2data restart.ED restart.ED.txt
- then run lammps using read_data restart.ED.txt
I get errors. I have gotten either the kinetic energy blowing up, or "Bad principle moments."
I have tried this repeatedly and get pretty consistent results. I find this very bizarre. Is there any reason why this would happen?
I ultimately need to be able to restart my simulations every N timesteps but cannot simply use the binary restart file since I need to rescale the velocities in a particular way that is not easy to do with the velocity command in the lammps input script. Besides altering the restart.ED.txt file, I cannot think of away of doing this. (Incidentally, I get the same behavior when using dump files and importing that information into data.ED files, although the values of the Atoms, Velocities sections in both dump.ED and restart.ED.txt are the same, except for the trailing 3 integers in the atoms section of the restart.ED.txt file.)
Thanks for any help!