[lammps-users] lost atoms question

Hi LAMMPS users,

I have been having some trouble of late with my simulations loosing atoms. In some cases I lose only a small fraction (less than 1%) while in others I am losing the bulk of the atoms in the system.

I have been playing around with my input files in an attempt to figure out what might be causing the problem but haven't been able to track down the source of the problem.

I've appended my inputs to show you what commands I'm using below. I was hoping you might be able to point me in a direction of things to try when losing atoms? I have tried reducing the timestep, increasing neighbouring thickness, decreasing reneighbouring period.



In a periodic system, you can lose atoms by blowing them
out of the box, or by an atom moving too far between reneighbors
that it goes beyond the next processor. Neither should happen
in a well-behaved simulation. I would try visualizing the system
to see which atom(s) is being lost and where it is going. If you
print thermo every step, LAMMPS will exit with an error on
the exact timestep the atom is lost.