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 = 4.05001 4.05001 4.05001
Created orthogonal box = (0 -68.9732 0) to (68.9692 68.9732 4.05001)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.70779 5.70779 4.05001
Created 1161 atoms
  create_atoms CPU = 0.000467062 secs
1161 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.70779 5.70779 4.05001
Created 1161 atoms
  create_atoms CPU = 0.000332832 secs
1161 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 = 7.58441
  ghost atom cutoff = 7.58441
  binsize = 3.79221, bins = 19 37 2
  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 7.58441
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 31 atoms, new total = 2291
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 = 7.58441
  ghost atom cutoff = 7.58441
  binsize = 3.79221, bins = 19 37 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.58441
      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) = 6.054 | 6.054 | 6.054 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -7729.5363            0   -7729.5363   -572.19635 
     340            0   -7749.6781            0   -7749.6781   -6458.9898 
Loop time of 3.648 on 1 procs for 340 steps with 2291 atoms

99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -7729.53629333     -7749.67811518     -7749.67811518
  Force two-norm initial, final = 17.3992 3.14273e-05
  Force max component initial, final = 4.54236 6.44517e-06
  Final line search alpha, max atom move = 1 6.44517e-06
  Iterations, force evaluations = 340 662

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 3.5469     | 3.5469     | 3.5469     |   0.0 | 97.23
Neigh   | 0.020573   | 0.020573   | 0.020573   |   0.0 |  0.56
Comm    | 0.048653   | 0.048653   | 0.048653   |   0.0 |  1.33
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.03187    |            |       |  0.87

Nlocal:    2291 ave 2291 max 2291 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    13219 ave 13219 max 13219 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:  241810 ave 241810 max 241810 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 241810
Ave neighs/atom = 105.548
Neighbor list builds = 3
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  : 340
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 6.055 | 6.055 | 6.055 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     340            0   -7749.6781            0   -7749.6781   -6458.9898    38532.027 
    1340            0    -7750.083            0    -7750.083   -1848.8411    38296.876 
Loop time of 11.8062 on 1 procs for 1000 steps with 2291 atoms

99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = max iterations
  Energy initial, next-to-last, final = 
        -7749.67811518      -7750.0829588     -7750.08295881
  Force two-norm initial, final = 167.558 0.0124838
  Force max component initial, final = 132.955 0.012358
  Final line search alpha, max atom move = 0.123753 0.00152935
  Iterations, force evaluations = 1000 1995

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.154     | 11.154     | 11.154     |   0.0 | 94.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13958    | 0.13958    | 0.13958    |   0.0 |  1.18
Output  | 1.812e-05  | 1.812e-05  | 1.812e-05  |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.513      |            |       |  4.35

Nlocal:    2291 ave 2291 max 2291 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    13219 ave 13219 max 13219 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:  238842 ave 238842 max 238842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 238842
Ave neighs/atom = 104.252
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 = 7.58441
  ghost atom cutoff = 7.58441
  binsize = 3.79221, bins = 19 37 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.58441
      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) = 5.811 | 5.811 | 5.811 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0    -7750.083            0    -7750.083   -1848.8411 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 2291 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:    2291 ave 2291 max 2291 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    13219 ave 13219 max 13219 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:  260670 ave 260670 max 260670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 260670
Ave neighs/atom = 113.78
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) = 5.811 | 5.811 | 5.811 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    -7750.083    -7750.083    68.957584    137.94648    4.0259715   -1848.8411   -1848.8411   0.51691968     -5546.97 -0.070256946    2.5297219    665.95308 
Loop time of 2.14577e-06 on 1 procs for 0 steps with 2291 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   |            | 2.146e-06  |            |       |100.00

Nlocal:    2291 ave 2291 max 2291 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    13219 ave 13219 max 13219 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    130335 ave 130335 max 130335 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  260670 ave 260670 max 260670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 260670
Ave neighs/atom = 113.78
Neighbor list builds = 0
Dangerous builds = 0
2291
-7750.0829588068 eV
2.5297218699129 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:15