Problem about pair-style buck/coul/msm and kspace-style msm

Hi,dear ones,we aim to run a simulation about the Ceria (CeO2) using Lammps .
Since the Ceria in our work is to act as a cutting tool, and the boundary command we set is s s s, we have to use the command pair-style buck/coul/msm instead of buck/coul/long to describe the potentials between the Ceria (CeO2).
As the Manual says, for buck/coul/long and buc/coul/msm, an additional damping factor is applied to the Coulombic term so it can be used in conjunction with the kspace_style command and its ewald or pppm or msm option, we set the kspace-style to be msm in the input file. However, there is an error occured at the begining of the simulation.The error information is as follows:
----------------------------------Error information-------------------------------------------------------
Step Temp Press Volume KinEng PotEng
0 300 824153.48 106258.22 339.19155 -119501.77
ERROR on proc 7: Out of range atoms - cannot compute MSM (…/msm.cpp:1469)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 7

Hi,dear ones,we aim to run a simulation about the Ceria (CeO2) using
Lammps .
Since the Ceria in our work is to act as a cutting tool, and the boundary
command we set is s s s, we have to use the command pair-style
buck/coul/msm instead of buck/coul/long to describe the potentials
between the Ceria (CeO2).
As the Manual says, for buck/coul/long and buc/coul/msm, an additional
damping factor is applied to the Coulombic term so it can be used in
conjunction with the kspace_style command and its ewald or pppm or msm
option, we set the kspace-style to be msm in the input file. However, there
is an error occured at the begining of the simulation.The error information
is as follows:
----------------------------------Error information-------------------
------------------------------------
Step Temp Press Volume KinEng PotEng
       0 300 824153.48 106258.22 339.19155 -119501.77
ERROR on proc 7: Out of range atoms - cannot compute MSM (../msm.cpp:1469)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 7
------------------------------------------------------------
---------------------------------------------------

​you have a giant pressure here. that is usually a sign of a bad initial
geometry or bad/incorrect potential parameters.
try running with pair style buck/coul/cut and a long cutoff to avoid this
kind of crash and study the vizualization. it should confirm, that
something is very wrong here.

axel.