chang_box trigger error with MPI

Hi lammps-users,

I want to extend my simulation box, so I use the command change_box x final. But I found that this command works with one processor and fail to work with more than one processor, triggering error “Bond atom missing in image check”. So, anyone can tell me how this error raised and how to make it work with more than one processor ? Thank in advance.

Best Regards,
Dongbo Wang

please see the many "Note"s in the documentation for the change_box command. the “Bond atom missing” is caused by the same kind of problem that also can cause “lost atoms”. Those typically happen if the box (and thus the subdomains) is changed by more than the communication cutoff and thus atoms are no longer communicated from neighboring subdomains. this kind of problem cannot happen with a single MPI rank, since that process will “own” all atoms, so they cannot get lost this way.