LAMMPS (7 Aug 2019) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:93) using 1 OpenMP thread(s) per MPI task OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:93) using 1 OpenMP thread(s) per MPI task Lattice spacing in x,y,z = 3.63069 3.63069 3.63069 Created orthogonal box = (0 -41.0802 0) to (6.28853 41.0802 8.89333) 1 by 1 by 1 MPI processor grid Lattice spacing in x,y,z = 6.28853 5.13457 5.92889 Created 198 atoms create_atoms CPU = 0.000250101 secs 198 atoms in group upper Displacing atoms ... Lattice spacing in x,y,z = 6.28853 5.13457 5.92889 Created 198 atoms create_atoms CPU = 0.000119925 secs 198 atoms in group lower Displacing atoms ... System init for delete_atoms ... Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 20.5307 ghost atom cutoff = 20.5307 binsize = 10.2653, bins = 1 9 1 2 neighbor lists, perpetual/occasional/extra = 1 1 0 (1) command delete_atoms, occasional attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d bin: standard (2) pair kim, perpetual attributes: full, newton off, cut 20.5307 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_full_bin_atomonly.cpp:88) Last command: delete_atoms overlap ${delete_distance} all all