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
  6 atoms in snapshot
  0 atoms purged
  0 atoms replaced
  0 atoms trimmed
  6 atoms added
  6 atoms after read
6 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 ...
  6 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) = 6.156 | 6.156 | 6.156 Mbytes
v_pe_metal 
   341.60661 
-1.3708637e+102 
Loop time of 0.004631 on 1 procs for 39 steps with 6 atoms

100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = quadratic factors are zero
  Energy initial, next-to-last, final = 
      341.606611485496 -1.37086366345842e+102 -1.37086366345842e+102
  Force two-norm initial, final = 71.934839 4.1909287e+119
  Force max component initial, final = 30.411739 2.9634341e+119
  Final line search alpha, max atom move = 1.1018844e-138 3.2653618e-19
  Iterations, force evaluations = 39 627

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.001041   | 0.001041   | 0.001041   |   0.0 | 22.48
Neigh   | 1.5e-06    | 1.5e-06    | 1.5e-06    |   0.0 |  0.03
Comm    | 9.22e-05   | 9.22e-05   | 9.22e-05   |   0.0 |  1.99
Output  | 0.0030122  | 0.0030122  | 0.0030122  |   0.0 | 65.04
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0004841  |            |       | 10.45

Nlocal:        6.00000 ave           6 max           6 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:        15.0000 ave          15 max          15 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 15
Ave neighs/atom = 2.5000000
Neighbor list builds = 1
Dangerous builds = 0
Total wall time: 0:00:00