Molecule toplogy/atom exceeds system topology/atom

Dear LAMMPS Users,
The code runs fine on an August 2023 version of lammps on a personal computer, and it will run fine on a May 2016 version of a computer cluster. Compare the two log files, max # of special neighbors is different, is there any way to solve this problem?

That your simulation ran with the older version of LAMMPS doesn’t meat it was correct, it just means that the old LAMMPS version didn’t check for an error condition the newer version detects.

It cannot give you any specific advice without knowing all the details of your input, but you can search the archives for the same error message and should find some cases and possible solutions. Most likely you need to change your read_data or create_box command