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 (10.326600 9.0716300 10.018300) with tilt (-5.4641800 -0.10046600 -0.019929800) WARNING: Triclinic box skew is large (src/domain.cpp:218) 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 (10.326600 9.0716300 10.018300) with tilt (-5.4641800 -0.10046600 -0.019929800) 0 atoms before read 64 atoms in snapshot 0 atoms purged 0 atoms replaced 0 atoms trimmed 64 atoms added 64 atoms after read 64 atoms in group all Changing box ... WARNING: Triclinic box skew is large (src/domain.cpp:218) triclinic box = (0.0000000 0.0000000 0.0000000) to (10.326600 9.0716300 10.018300) with tilt (-5.4641800 -0.10046600 -0.019929800) WARNING: Triclinic box skew is large (src/domain.cpp:218) triclinic box = (0.0000000 0.0000000 0.0000000) to (10.326600 9.0716300 10.018300) with tilt (-5.4641800 -0.10046600 -0.019929800) WARNING: Triclinic box skew is large (src/domain.cpp:218) triclinic box = (0.0000000 0.0000000 0.0000000) to (10.326600 9.0716300 10.018300) with tilt (-5.4641800 -0.10046600 -0.019929800) WARNING: Triclinic box skew is large (src/domain.cpp:218) triclinic box = (0.0000000 0.0000000 0.0000000) to (10.326600 9.0716300 10.018300) with tilt (-5.4641800 -0.10046600 -0.019929800) WARNING: Triclinic box skew is large (src/domain.cpp:218) triclinic box = (0.0000000 0.0000000 0.0000000) to (10.326600 9.0716300 10.018300) with tilt (-5.4641800 -0.10046600 -0.019929800) WARNING: Triclinic box skew is large (src/domain.cpp:218) triclinic box = (0.0000000 0.0000000 0.0000000) to (10.326600 9.0716300 10.018300) with tilt (-5.4641800 -0.10046600 -0.019929800) 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) = 7.643 | 7.643 | 7.643 Mbytes v_pe_metal -214.10501 Loop time of 3.00002e-06 on 1 procs for 0 steps with 64 atoms 33.3% 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 | | 3e-06 | | |100.00 Nlocal: 64.0000 ave 64 max 64 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1258.00 ave 1258 max 1258 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 4979.00 ave 4979 max 4979 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 4979 Ave neighs/atom = 77.796875 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00