GCMC and ERROR: Out of range atoms

Hi all,
I am using LAMMPS to run a GCMC with NVT simulation in order to obtain adsorption uptake of water in MOF. I am using version 2023. By using pair_style lj/cut/tip4p/long, cutoff distance = 12, kspace_style = pppm/tip4p, the simulation proceed some steps and stops because the error below:
ERROR: Out of range atoms - cannot compute PPPM (src/KSPACE/pppm_tip4p.cpp:108)
I set different values for timestep ranging from 0.1 and 1.0 fs. by decreasing the timestep, the error appears at larger timesteps. I checked the mailing list and found some relevant posts, but still the problem is unanswered. In the literature, the same simulation has been done by ewald solver but it causes error in lammps. I think that is why the same simulations is used by RASPA instead of lammps, Is it correct?
Thank you

You cannot expect to find an answer for every possible cause of lost atoms. You need to understand the cause for the lost atom errors, and plenty of advice has been given already. So the best you can do is to learn from the 20+ years of advice already given and figure it out yourself.

Think of the error in this way: your system and settings led to an unphysical situation, which in turn produced extreme forces. So the lost atoms are a consequence of some bad choices. Given that you are inserting molecules, try lowering the rate of insertion.