LAMMPS (18 Jun 2019)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
  using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 2.5 2.16506 375
Created triclinic box = (0 0 0) to (2.5 2.16506 375) with tilt (-1.25 0 0)
  1 by 1 by 1 MPI processor grid
Created 2 atoms
  create_atoms CPU = 0.000139952 secs
Reading potential file ./SM_306840588959_000-files/b'ffield.reax.FC' with DATE: 2013-06-28
WARNING: Changed valency_val to valency_boc for X (src/USER-REAXC/reaxc_ffield.cpp:311)
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 12
  ghost atom cutoff = 12
  binsize = 6, bins = 1 1 63
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair reax/c, perpetual
      attributes: half, newton off, ghost
      pair build: half/bin/newtoff/ghost
      stencil: half/ghost/bin/3d/newtoff
      bin: standard
  (2) fix qeq/reax, perpetual, copy from (1)
      attributes: half, newton off, ghost
      pair build: copy
      stencil: none
      bin: none
Setting up cg style minimization ...
  Unit style    : real
  Current step  : 0
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 26.02 | 26.02 | 26.02 Mbytes
Step Atoms v_pe_metal v_lx_metal v_lz_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pxy_metal 
       0        2   -15.678493          2.5          375    273.29222    276.91335    415.37002    415.37002 2.7005921e-11 
      35        2   -15.680988      2.50814          375 3.0949222e-06 3.1359299e-06 4.7038307e-06 4.7039589e-06 3.0993537e-11 
Loop time of 0.320184 on 1 procs for 35 steps with 2 atoms

43.7% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -361.554651198     -361.612174614     -361.612174614
  Force two-norm initial, final = 17.1613 1.94978e-07
  Force max component initial, final = 12.1349 1.3787e-07
  Final line search alpha, max atom move = 1 1.3787e-07
  Iterations, force evaluations = 35 38

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.31807    | 0.31807    | 0.31807    |   0.0 | 99.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0002718  | 0.0002718  | 0.0002718  |   0.0 |  0.08
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0.0011318  | 0.0011318  | 0.0011318  |   0.0 |  0.35
Other   |            | 0.0007057  |            |       |  0.22

Nlocal:    2 ave 2 max 2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    574 ave 574 max 574 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    335 ave 335 max 335 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 335
Ave neighs/atom = 167.5
Neighbor list builds = 0
Dangerous builds = 0
Final surface tension = 0.00176393653036785 bar*angstrom
Cohesive energy = 7.7428174558331 eV/atom
Equilibrium lattice constant = 2.50814004593657 angstrom

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

Total wall time: 0:00:00