I am new to molecular dynamics and working on simulation using Lammps with Reaxxff potential. I am getting the following errors followed by segmentation fault. I changed my mincap and safe zone values to 1000 and 16 respectively but am still getting the below issues. My understanding is that I am making some fundamental mistake which is related to the error output below and will really appreciate if someone can guide me on what these errors really mean. Judging by the first three output lines, I think something is wrong with the neighbour list.
I will also appreciate if someone can advise me on the range for the mincap and safezone values.
0 /lib64/libc.so.6(+0x326a0) [0x7ffff4bb86a0]
1 lmp_mpi(_ZN9LAMMPS_NS8Neighbor9bin_atomsEv+0x5ba) [0x7adc9a]
2 lmp_mpi(_ZN9LAMMPS_NS8Neighbor24half_bin_no_newton_ghostEPNS_9NeighListE+0x3c) [0x79a22c]
3 lmp_mpi(_ZN9LAMMPS_NS8Neighbor5buildEi+0x523) [0x7ac403]
4 lmp_mpi(_ZN9LAMMPS_NS6Verlet3runEi+0x219) [0xa1f719]
5 lmp_mpi(_ZN9LAMMPS_NS3Run7commandEiPPc+0xcda) [0x9eb1ea]
6 lmp_mpi(_ZN9LAMMPS_NS5Input15command_creatorINS_3RunEEEvPNS_6LAMMPSEiPPc+0x29) [0x720c39]
7 lmp_mpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0x2293) [0x71b153]
8 lmp_mpi(_ZN9LAMMPS_NS5Input4fileEv+0x203) [0x7172c3]
9 lmp_mpi(main+0x94) [0x733da4]
10 /lib64/libc.so.6(__libc_start_main+0xfd) [0x7ffff4ba4d5d]
11 lmp_mpi() [0x4a0019]
MXM: Got signal 15 (Terminated)