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 -80.4246 0) to (80.4205 80.4246 4.05153)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.71516 5.71516 4.05153
Created 1578 atoms
  create_atoms CPU = 0.000370979 secs
1578 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.71516 5.71516 4.05153
Created 1578 atoms
  create_atoms CPU = 0.000262976 secs
1578 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 = 21 41 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 36 atoms, new total = 3120
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 = 21 41 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) = 10.52 | 10.52 | 10.52 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -10416.899            0   -10416.899     3113.055 
     386            0   -10466.406            0   -10466.406   -5587.4349 
Loop time of 6.89017 on 1 procs for 386 steps with 3120 atoms

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

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -10416.8990315      -10466.406068      -10466.406068
  Force two-norm initial, final = 63.5955 3.11171e-05
  Force max component initial, final = 18.2888 5.42372e-06
  Final line search alpha, max atom move = 1 5.42372e-06
  Iterations, force evaluations = 386 749

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 6.7306     | 6.7306     | 6.7306     |   0.0 | 97.68
Neigh   | 0.036953   | 0.036953   | 0.036953   |   0.0 |  0.54
Comm    | 0.073892   | 0.073892   | 0.073892   |   0.0 |  1.07
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.04875    |            |       |  0.71

Nlocal:    3120 ave 3120 max 3120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    17360 ave 17360 max 17360 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:  415920 ave 415920 max 415920 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 415920
Ave neighs/atom = 133.308
Neighbor list builds = 4
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  : 386
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 10.52 | 10.52 | 10.52 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     386            0   -10466.406            0   -10466.406   -5587.4349    52408.784 
    1386            0   -10466.649            0   -10466.649   -2549.0473    52244.513 
Loop time of 18.6971 on 1 procs for 1000 steps with 3120 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 = 
         -10466.406068      -10466.649102     -10466.6491021
  Force two-norm initial, final = 162.699 0.0247878
  Force max component initial, final = 147.627 0.0216171
  Final line search alpha, max atom move = 0.0759683 0.00164222
  Iterations, force evaluations = 1000 1997

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.861     | 17.861     | 17.861     |   0.0 | 95.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.18435    | 0.18435    | 0.18435    |   0.0 |  0.99
Output  | 2.5034e-05 | 2.5034e-05 | 2.5034e-05 |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.6517     |            |       |  3.49

Nlocal:    3120 ave 3120 max 3120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    17365 ave 17365 max 17365 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:  416112 ave 416112 max 416112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 416112
Ave neighs/atom = 133.369
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 = 21 41 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) = 10.03 | 10.03 | 10.03 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -10466.649            0   -10466.649   -2549.0473 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 3120 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:    3120 ave 3120 max 3120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    17365 ave 17365 max 17365 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:  416184 ave 416184 max 416184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 416184
Ave neighs/atom = 133.392
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) = 10.03 | 10.03 | 10.03 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   -10466.649   -10466.649    80.442842     160.8491    4.0377054   -2549.0473   -2549.0473    0.1855533   -7647.9882   0.66066774    2.5824135    574.84957 
Loop time of 1.90735e-06 on 1 procs for 0 steps with 3120 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   |            | 1.907e-06  |            |       |100.00

Nlocal:    3120 ave 3120 max 3120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    17365 ave 17365 max 17365 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    208092 ave 208092 max 208092 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  416184 ave 416184 max 416184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 416184
Ave neighs/atom = 133.392
Neighbor list builds = 0
Dangerous builds = 0
3120
-10466.6491020388 eV
2.58241352330807 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:25