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
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 = 4.04526 4.04526 4.04526
Created orthogonal box = (0 -52.7478 0) to (52.7437 52.7478 4.04526)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.3436 4.3436 4.04526
Created 682 atoms
  create_atoms CPU = 0.000204086 secs
682 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.3436 4.3436 4.04526
Created 682 atoms
  create_atoms CPU = 8.91685e-05 secs
682 atoms in group lower
Displacing atoms ...
System init for delete_atoms ...
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.5
  ghost atom cutoff = 8.5
  binsize = 4.25, bins = 13 25 1
  2 neighbor lists, perpetual/occasional/extra = 1 1 0
  (1) command delete_atoms, occasional
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair kim, perpetual
      attributes: full, newton off, cut 8.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 24 atoms, new total = 1340
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: 2000, page size: 100000
  master list distance cutoff = 8.5
  ghost atom cutoff = 8.5
  binsize = 4.25, bins = 13 25 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 0
Per MPI rank memory allocation (min/avg/max) = 5.091 | 5.091 | 5.091 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4547.3875            0   -4547.3875   -2386.2152 
     181            0   -4558.6836            0   -4558.6836   -7155.9481 
Loop time of 1.71511 on 1 procs for 181 steps with 1340 atoms

100.3% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -4547.38754119     -4558.68359875     -4558.68359875
  Force two-norm initial, final = 12.0049 1.50586e-05
  Force max component initial, final = 3.16019 1.97261e-06
  Final line search alpha, max atom move = 1 1.97261e-06
  Iterations, force evaluations = 181 354

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.6814     | 1.6814     | 1.6814     |   0.0 | 98.03
Neigh   | 0.005373   | 0.005373   | 0.005373   |   0.0 |  0.31
Comm    | 0.017942   | 0.017942   | 0.017942   |   0.0 |  1.05
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.01042    |            |       |  0.61

Nlocal:    1340 ave 1340 max 1340 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    9014 ave 9014 max 9014 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
FullNghs:  190300 ave 190300 max 190300 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 190300
Ave neighs/atom = 142.015
Neighbor list builds = 1
Dangerous builds = 0
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 181
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 5.093 | 5.093 | 5.093 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     181            0   -4558.6836            0   -4558.6836   -7155.9481    22508.755 
    1181            0   -4558.9592            0   -4558.9592   -1889.5129    22360.932 
Loop time of 10.4944 on 1 procs for 1000 steps with 1340 atoms

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

Minimization stats:
  Stopping criterion = max iterations
  Energy initial, next-to-last, final = 
        -4558.68359875     -4558.95922419     -4558.95922428
  Force two-norm initial, final = 117.237 0.0349348
  Force max component initial, final = 84.807 0.0146023
  Final line search alpha, max atom move = 0.0450842 0.000658333
  Iterations, force evaluations = 1000 1997

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.067     | 10.067     | 10.067     |   0.0 | 95.92
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.095496   | 0.095496   | 0.095496   |   0.0 |  0.91
Output  | 1.6928e-05 | 1.6928e-05 | 1.6928e-05 |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.3323     |            |       |  3.17

Nlocal:    1340 ave 1340 max 1340 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    9052 ave 9052 max 9052 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
FullNghs:  190224 ave 190224 max 190224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 190224
Ave neighs/atom = 141.958
Neighbor list builds = 0
Dangerous builds = 0
WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.5
  ghost atom cutoff = 8.5
  binsize = 4.25, bins = 13 25 1
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) compute centro/atom, occasional
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (3) compute pair/local, occasional
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.231 | 5.231 | 5.231 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4558.9592            0   -4558.9592   -1889.5129 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 1340 atoms

0.0% 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:    1340 ave 1340 max 1340 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    9079 ave 9079 max 9079 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
FullNghs:  191016 ave 191016 max 191016 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 191016
Ave neighs/atom = 142.549
Neighbor list builds = 0
Dangerous builds = 0
WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.231 | 5.231 | 5.231 Mbytes
Step v_pe_metal c_particle_engsum v_lx_metal v_ly_metal v_lz_metal Press v_press_metal v_pxx_metal v_pyy_metal v_pzz_metal v_mindist_metal v_csymsum_metal 
       0   -4558.9592   -4558.9592    52.582582    105.49556    4.0310094   -1889.5129   -1889.5129    1.0430682   -5670.5621   0.98025041     2.590557     263.8385 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 1340 atoms

0.0% 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:    1340 ave 1340 max 1340 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    9079 ave 9079 max 9079 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    95508 ave 95508 max 95508 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  191016 ave 191016 max 191016 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 191016
Ave neighs/atom = 142.549
Neighbor list builds = 0
Dangerous builds = 0
1340
-4558.95922427537 eV
2.59055704816229 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:12