ERROR: Out of range atoms - cannot compute PPPM

Hi Dear LAMMPS users

I have written a data file that describes an aqueous solvent of NACL between sillicon wals. But when I run this code, this error appears that:

ERROR: Out of range atoms - cannot compute PPPM

my neigh_modify is delay 0 every 1 check yes, and my xyz file shows no overlapping atoms, and also I tried reduction of timestep but the Eror remains

this is my log file:

Hi Dear LAMMPS users

I have written a data file that describes an aqueous solvent of NACL between
sillicon wals. But when I run this code, this error appears that:

ERROR: Out of range atoms - cannot compute PPPM

my neigh_modify is delay 0 every 1 check yes, and my xyz file shows no
overlapping atoms, and also I tried reduction of timestep but the
Eror remains

two comments:

a) it is most likely that your configuration is still having
some close contacts. have you considered overlapping
atoms due to periodic boundaries? also atoms don't have
to overlap too much. you seem to have fairly strong coulomb
repulsion, which will result in pretty large forces, and
the fact that your pressure is an invalid number suggests
strong forces, too. you could define a dump that writes
out forces of all atoms in every step and do a run 0
and then investigate, which atoms have large forces.
you can also try doing a minimization before starting
a run. most multi-component systems need to be
carefully "guided" to equilibrium. you rarely can
just start from some configuration that you put together.

b) please update top the current version of LAMMPS.
if there would be a bug in the code, it will only be fixed,
if it can be reproduced with the latest version.

axel