I have a 2300 LJ particle simulation box that is roughly 10 by 10 by 22. My box is periodic in x and y, but not z. I occasionally run into the Lost atoms: original .15g current .15g error in LAMMPS. My current strategy of “dealing” with this is to write restart files, but is there something else can I do to alleviate this? Is there something wrong with my code or computer? I have looked through the past sourceforge entries (not all of them) and couldn’t find anything.
I hope some of my following code will help, however, I’m not sure what would be useful in solving this problem of mine. I’ll respond with any additional information that may be relevant.
pair_style hybrid/overlay lj/cut/opt 2.5 lj/cut/coul/cut 2.5 9.5
neighbor 0.5 nsq (I needed to do this after changing my z dimension from 20 to 22 in length, not sure if this was the best thing to do)
neigh_modify every 1 delay 10 check yes page 500000 one 10000
fix wall1 wall1 setforce 0.0 0.0 0.0 # Fix walls in place
fix wall2 wall 2 setforce 0.0 0.0 0.0 # Fix walls in place
fix thermostat liquid langevin 1.0 1.0 75.0 3
fix timeintegration liquid nve