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 -49.4592 0) to (49.4552 49.4592 4.05153)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.64254 5.64254 4.05153
Created 598 atoms
  create_atoms CPU = 0.000306845 secs
598 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.64254 5.64254 4.05153
Created 598 atoms
  create_atoms CPU = 0.000198841 secs
598 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 = 13 25 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 24 atoms, new total = 1172
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 = 13 25 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) = 5.033 | 5.033 | 5.033 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3894.4905            0   -3894.4905    5544.7933 
     398            0   -3922.0741            0   -3922.0741   -6921.2509 
Loop time of 2.69472 on 1 procs for 398 steps with 1172 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 = 
        -3894.49047619     -3922.07407779     -3922.07407779
  Force two-norm initial, final = 44.0685 1.8993e-06
  Force max component initial, final = 9.28641 3.37037e-07
  Final line search alpha, max atom move = 1 3.37037e-07
  Iterations, force evaluations = 398 782

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.6255     | 2.6255     | 2.6255     |   0.0 | 97.43
Neigh   | 0.015272   | 0.015272   | 0.015272   |   0.0 |  0.57
Comm    | 0.03343    | 0.03343    | 0.03343    |   0.0 |  1.24
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.02049    |            |       |  0.76

Nlocal:    1172 ave 1172 max 1172 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    7783 ave 7783 max 7783 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:  154952 ave 154952 max 154952 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 154952
Ave neighs/atom = 132.212
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  : 398
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 5.033 | 5.033 | 5.033 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     398            0   -3922.0741            0   -3922.0741   -6921.2509    19820.191 
    1398            0   -3922.2316            0   -3922.2316   -2707.7474    19732.524 
Loop time of 6.5094 on 1 procs for 1000 steps with 1172 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 = 
        -3922.07407779     -3922.23164655     -3922.23164655
  Force two-norm initial, final = 84.9544 0.0059498
  Force max component initial, final = 72.1991 0.00414699
  Final line search alpha, max atom move = 0.407571 0.00169019
  Iterations, force evaluations = 1000 1996

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 6.1759     | 6.1759     | 6.1759     |   0.0 | 94.88
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.075041   | 0.075041   | 0.075041   |   0.0 |  1.15
Output  | 1.9073e-05 | 1.9073e-05 | 1.9073e-05 |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.2584     |            |       |  3.97

Nlocal:    1172 ave 1172 max 1172 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    7768 ave 7768 max 7768 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:  155012 ave 155012 max 155012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 155012
Ave neighs/atom = 132.263
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 = 13 25 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) = 5.171 | 5.171 | 5.171 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3922.2316            0   -3922.2316   -2707.7474 
Loop time of 1.19209e-06 on 1 procs for 0 steps with 1172 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   |            | 1.192e-06  |            |       |100.00

Nlocal:    1172 ave 1172 max 1172 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    7768 ave 7768 max 7768 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:  155076 ave 155076 max 155076 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 155076
Ave neighs/atom = 132.317
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) = 5.171 | 5.171 | 5.171 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   -3922.2316   -3922.2316    49.444995    98.918465     4.034437   -2707.7474   -2707.7474   0.33664388   -8123.8966   0.31777266    2.6188888    612.87543 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 1172 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:    1172 ave 1172 max 1172 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    7768 ave 7768 max 7768 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    77538 ave 77538 max 77538 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  155076 ave 155076 max 155076 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 155076
Ave neighs/atom = 132.317
Neighbor list builds = 0
Dangerous builds = 0
1172
-3922.23164653926 eV
2.61888880357997 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:09