[lammps-users] ERROR: Out of range atoms - cannot compute PPPM

Hi all

I seem to be plagued by the ERROR: Out of range atoms - cannot compute PPPM error and can't for the life of me stop it happening.

Any ideas as to the cause and possible solution of this problem?

Cheers

Richard

It happens when your atoms move too far and cannot
be mapped onto the portion of the PPPM grid owned
by a processor. Could be you aren't reneighboring often
enough. Could be your dynamics is bad and atoms are
moving too far.

Steve