Hi! Doctor Plimpton. I always met a memory allocation failure problem when using a reactive force field to simulate a multilayer graphene sample. According to the Error, I have enlarged the values of the keywords “safezone” and “mincap” of the “pair_style reax/c” command, but it did not work whether I enlarge the values to how large. The initial model file, input file, potential file and the Error file are all emailed to you as attached files, please tell me how to solve that problem, thank you very much.
multilayer.dat (40.3 KB)
lammps.in (660 Bytes)
ffield.reax.CHNi (5.85 KB)
slurm-2216685-error.out (2.56 KB)