LAMMPS (19 Mar 2020) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:94) using 1 OpenMP thread(s) per MPI task # Using KIM Simulator Model : Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000 # For Simulator : LAMMPS 15 May 2015 # Running on : LAMMPS 19 Mar 2020 # Created triclinic box = (0 0 0) to (5.5048 5.36034 5.58687) with tilt (0.0192448 0.190348 0.0157222) 1 by 1 by 1 MPI processor grid Scanning dump file ... Reading snapshot from dump file ... triclinic box = (0 0 0) to (5.5048 5.36034 5.58687) with tilt (0.0192448 0.190348 0.0157222) 0 atoms before read 8 atoms in snapshot 0 atoms purged 0 atoms replaced 0 atoms trimmed 8 atoms added 8 atoms after read 8 atoms in group all Changing box ... triclinic box = (0 0 0) to (5.5048 5.36034 5.58687) with tilt (0.0192448 0.190348 0.0157222) triclinic box = (0 0 0) to (5.5048 5.36034 5.58687) with tilt (0.0192448 0.190348 0.0157222) triclinic box = (0 0 0) to (5.5048 5.36034 5.58687) with tilt (0.0192448 0.190348 0.0157222) triclinic box = (0 0 0) to (5.5048 5.36034 5.58687) with tilt (0.0192448 0.190348 0.0157222) triclinic box = (0 0 0) to (5.5048 5.36034 5.58687) with tilt (0.0192448 0.190348 0.0157222) triclinic box = (0 0 0) to (5.5048 5.36034 5.58687) with tilt (0.0192448 0.190348 0.0157222) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 4000, page size: 100000 master list distance cutoff = 6.8 ghost atom cutoff = 6.8 2 neighbor lists, perpetual/occasional/extra = 2 0 0 (1) pair meam/c, perpetual attributes: full, newton on pair build: full/nsq stencil: none bin: none (2) pair meam/c, perpetual, half/full from (1) attributes: half, newton on pair build: halffull/newton stencil: none bin: none Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 10.53 | 10.53 | 10.53 Mbytes v_pe_metal -34.637105 Loop time of 9.53674e-07 on 1 procs for 0 steps with 8 atoms 104.9% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 8 ave 8 max 8 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 320 ave 320 max 320 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 248 ave 248 max 248 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 496 ave 496 max 496 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 496 Ave neighs/atom = 62 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00