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 = 4.05153 4.05153 4.05153
Created orthogonal box = (0 -67.4349 0) to (67.4308 67.4349 4.05153)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.59895 5.59895 4.05153
Created 1109 atoms
  create_atoms CPU = 0.000299931 secs
1109 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.59895 5.59895 4.05153
Created 1109 atoms
  create_atoms CPU = 0.000189066 secs
1109 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 = 7.95414
  ghost atom cutoff = 7.95414
  binsize = 3.97707, bins = 17 34 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 7.95414
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 26 atoms, new total = 2192
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 = 7.95414
  ghost atom cutoff = 7.95414
  binsize = 3.97707, bins = 17 34 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.95414
      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) = 5.655 | 5.655 | 5.655 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -7303.7725            0   -7303.7725    5116.9739 
     308            0   -7343.4264            0   -7343.4264   -3208.1008 
Loop time of 3.82821 on 1 procs for 308 steps with 2192 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 = 
        -7303.77254011      -7343.4264414      -7343.4264414
  Force two-norm initial, final = 58.986 2.62022e-05
  Force max component initial, final = 11.1953 6.43871e-06
  Final line search alpha, max atom move = 1 6.43871e-06
  Iterations, force evaluations = 308 598

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 3.7363     | 3.7363     | 3.7363     |   0.0 | 97.60
Neigh   | 0.021317   | 0.021317   | 0.021317   |   0.0 |  0.56
Comm    | 0.042856   | 0.042856   | 0.042856   |   0.0 |  1.12
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.02772    |            |       |  0.72

Nlocal:    2192 ave 2192 max 2192 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    12903 ave 12903 max 12903 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:  290802 ave 290802 max 290802 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 290802
Ave neighs/atom = 132.665
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  : 308
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 5.655 | 5.655 | 5.655 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     308            0   -7343.4264            0   -7343.4264   -3208.1008    36846.127 
    1308            0   -7343.4953            0   -7343.4953   -1126.6807    36767.381 
Loop time of 13.1565 on 1 procs for 1000 steps with 2192 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 = 
         -7343.4264414     -7343.49534808     -7343.49534808
  Force two-norm initial, final = 78.0289 0.00702361
  Force max component initial, final = 66.0301 0.00486346
  Final line search alpha, max atom move = 0.223266 0.00108585
  Iterations, force evaluations = 1000 1999

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.547     | 12.547     | 12.547     |   0.0 | 95.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1329     | 0.1329     | 0.1329     |   0.0 |  1.01
Output  | 2.0981e-05 | 2.0981e-05 | 2.0981e-05 |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.4763     |            |       |  3.62

Nlocal:    2192 ave 2192 max 2192 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    12918 ave 12918 max 12918 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:  290914 ave 290914 max 290914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 290914
Ave neighs/atom = 132.716
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 = 7.95414
  ghost atom cutoff = 7.95414
  binsize = 3.97707, bins = 17 34 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.95414
      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) = 5.793 | 5.793 | 5.793 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -7343.4953            0   -7343.4953   -1126.6807 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 2192 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:    2192 ave 2192 max 2192 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    12918 ave 12918 max 12918 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:  290924 ave 290924 max 290924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 290924
Ave neighs/atom = 132.721
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) = 5.793 | 5.793 | 5.793 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   -7343.4953   -7343.4953    67.420842    134.86978    4.0434669   -1126.6807   -1126.6807 -0.084506182   -3379.7462  -0.21150879    2.5946033     1042.903 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 2192 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:    2192 ave 2192 max 2192 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    12918 ave 12918 max 12918 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    145462 ave 145462 max 145462 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  290924 ave 290924 max 290924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 290924
Ave neighs/atom = 132.721
Neighbor list builds = 0
Dangerous builds = 0
2192
-7343.49534806265 eV
2.59460326071923 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:17