LAMMPS (24 Dec 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_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000 # For Simulator : LAMMPS 3 Mar 2020 # Running on : LAMMPS 24 Dec 2020 # Created triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0958700 3.0641300 3.1101400) with tilt (-0.13238400 -0.081175800 -0.0035573800) 1 by 1 by 1 MPI processor grid Scanning dump file ... Reading snapshot from dump file ... triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0958700 3.0641300 3.1101400) with tilt (-0.13238400 -0.081175800 -0.0035573800) 0 atoms before read 2 atoms in snapshot 0 atoms purged 0 atoms replaced 0 atoms trimmed 2 atoms added 2 atoms after read 2 atoms in group all Changing box ... triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0958700 3.0641300 3.1101400) with tilt (-0.13238400 -0.081175800 -0.0035573800) triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0958700 3.0641300 3.1101400) with tilt (-0.13238400 -0.081175800 -0.0035573800) triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0958700 3.0641300 3.1101400) with tilt (-0.13238400 -0.081175800 -0.0035573800) triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0958700 3.0641300 3.1101400) with tilt (-0.13238400 -0.081175800 -0.0035573800) triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0958700 3.0641300 3.1101400) with tilt (-0.13238400 -0.081175800 -0.0035573800) triclinic box = (0.0000000 0.0000000 0.0000000) to (3.0958700 3.0641300 3.1101400) with tilt (-0.13238400 -0.081175800 -0.0035573800) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 4000, page size: 100000 master list distance cutoff = 8.1961461 ghost atom cutoff = 8.1961461 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair adp, perpetual attributes: half, newton on pair build: half/nsq/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) = 7.601 | 7.601 | 7.601 Mbytes v_pe_metal -6.6728497 Loop time of 2.19978e-06 on 1 procs for 0 steps with 2 atoms 136.4% 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 | | 2.2e-06 | | |100.00 Nlocal: 2.00000 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 557.000 ave 557 max 557 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 164.000 ave 164 max 164 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 164 Ave neighs/atom = 82.000000 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00