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 orthogonal box = (-25.000000 -25.000000 -25.000000) to (25.000000 25.000000 25.000000)
  1 by 1 by 1 MPI processor grid
Scanning dump file ...
Reading snapshot from dump file ...
  orthogonal box = (-25.000000 -25.000000 -25.000000) to (25.000000 25.000000 25.000000)
  0 atoms before read
  7 atoms in snapshot
  0 atoms purged
  0 atoms replaced
  0 atoms trimmed
  7 atoms added
  7 atoms after read
7 atoms in group all
Changing box ...
  orthogonal box = (-25.000000 -25.000000 -25.000000) to (25.000000 25.000000 25.000000)
  orthogonal box = (-25.000000 -25.000000 -25.000000) to (25.000000 25.000000 25.000000)
  orthogonal box = (-25.000000 -25.000000 -25.000000) to (25.000000 25.000000 25.000000)
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, 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 cg style minimization ...
  Unit style    : metal
  Current step  : 0
Per MPI rank memory allocation (min/avg/max) = 8.656 | 8.656 | 8.656 Mbytes
v_pe_metal 
  -13.325269 
  -21.442861 
Loop time of 0.0009793 on 1 procs for 39 steps with 7 atoms

50.0% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
     -13.3252691358173  -21.4428612330682  -21.4428612339487
  Force two-norm initial, final = 12.854932 6.7662123e-05
  Force max component initial, final = 6.3032139 3.0708055e-05
  Final line search alpha, max atom move = 1.0000000 3.0708055e-05
  Iterations, force evaluations = 39 64

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.0001433  | 0.0001433  | 0.0001433  |   0.0 | 14.63
Neigh   | 8.0001e-07 | 8.0001e-07 | 8.0001e-07 |   0.0 |  0.08
Comm    | 5.1004e-06 | 5.1004e-06 | 5.1004e-06 |   0.0 |  0.52
Output  | 0.0007693  | 0.0007693  | 0.0007693  |   0.0 | 78.56
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.08e-05   |            |       |  6.21

Nlocal:        7.00000 ave           7 max           7 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        21.0000 ave          21 max          21 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 21
Ave neighs/atom = 3.0000000
Neighbor list builds = 1
Dangerous builds = 0
Total wall time: 0:00:00