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_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000
# For Simulator             : LAMMPS 29 Oct 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
  3 atoms in snapshot
  0 atoms purged
  0 atoms replaced
  0 atoms trimmed
  3 atoms added
  3 atoms after read
3 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)
Setting atom values ...
  3 settings made for charge
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: 4000, page size: 100000
  master list distance cutoff = 88.60254
  ghost atom cutoff = 88.60254
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair buck/coul/cut, 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) = 6.155 | 6.155 | 6.155 Mbytes
v_pe_metal 
   65.219467 
-4.1835439e+94 
Loop time of 0.0017052 on 1 procs for 28 steps with 3 atoms

33.4% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
      65.2194672973609 -4.1835438948316e+94 -4.1835438948316e+94
  Force two-norm initial, final = 68.488392 7.1496594e+110
  Force max component initial, final = 45.871929 4.5218416e+110
  Final line search alpha, max atom move = 3.9283924e-127 1.7763568e-16
  Iterations, force evaluations = 28 520

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.0001765  | 0.0001765  | 0.0001765  |   0.0 | 10.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 5.27e-05   | 5.27e-05   | 5.27e-05   |   0.0 |  3.09
Output  | 0.0012321  | 0.0012321  | 0.0012321  |   0.0 | 72.26
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0002439  |            |       | 14.30

Nlocal:        3.00000 ave           3 max           3 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:        3.00000 ave           3 max           3 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 3
Ave neighs/atom = 1.0000000
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00