Missing Atoms When Using Restart File with PBC

Hi all, I’m having an issue that I’m hoping someone can help me with. I’m attempting to restart a simulation using restart files generated by LAMMPS. Both the original and resumed simulation have periodic boundary conditions (PBC’s), but I’m getting the error “ERROR: Did not assign all restart atoms correctly (…/read_restart.cpp:513)”.

I’ve looked at previous issues regarding this error on the mailing list. It seem that when previous users got this message, it was because they were trying to reference atoms outside the bounds of the system without invoking PBC’s. This is not the case for me, however, as I use PBC’s. To explain what I’m doing, and where the error is, I’ve included the general steps I took below:

in.run (1.55 KB)


you not providing the most crucial information: which version of LAMMPS are you using, how many processors you are using, and on what platform are you running?

furthermore, just the input file without being able to reproduce what you are seeing, is limiting very much how much somebody can look into fixing issues.
since it is time consuming to debug large systems, why don’t you try to reproduce this issue with as small a system as possible and then post that complete input deck. keep in mind, that such an input deck doesn’t have to do a meaningful simulation, it just needs to reproduce the issue.