LAMMPS (24 Jan 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_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001
# For Simulator             : LAMMPS 28 Feb 2019
# Running on                : LAMMPS 24 Jan 2020
#
Created orthogonal box = (-25 -25 -25) to (25 25 25)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  create_atoms CPU = 5.00679e-06 secs
Changing box ...
  orthogonal box = (-25 -25 -25) to (25 25 25)
  orthogonal box = (-25 -25 -25) to (25 25 25)
  orthogonal box = (-25 -25 -25) to (25 25 25)
Reading potential file /tmp/kim-simulator-model-parameter-file-directory-XXXXXXds3YJd/ffield.reax.Fe_O_C_H with DATE: 2011-02-18
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12
  ghost atom cutoff = 12
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair reax/c, perpetual
      attributes: half, newton off, ghost
      pair build: half/nsq/newtoff/ghost
      stencil: none
      bin: none
  (2) fix qeq/reax, perpetual, copy from (1)
      attributes: half, newton off, ghost
      pair build: copy
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : real
  Current step  : 0
  Time step     : 1
Per MPI rank memory allocation (min/avg/max) = 2.337 | 2.337 | 2.337 Mbytes
v_pe_metal 
 -0.10864257 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 1 atoms

209.7% 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   |            | 9.537e-07  |            |       |100.00

Nlocal:    1 ave 1 max 1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 0
Ave neighs/atom = 0
Neighbor list builds = 0
Dangerous builds = 0
Isolated atom energy: -0.108642574701076 eV

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:00