Dear lammps users:
I wonder if any of you who does polymer stuff has come across such problem: The MD runs perfectly okay with temperature, energy and pressure looking stable, then at a random step the simulation gets terminated with errors saying: bond (angle, dihedral) atoms %d %d missing on proc #. However, if you save restart file periodically and restart the calculation from the restart file right before the break point with reassigned thermal velocity, you can pass the break point safely.
What is the cause of such problem? Any solution to solve it? Thanks a lot.