LAMMPS (24 Jan 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.61315 3.61315 3.61315
Created orthogonal box = (0 -65.4405 0) to (23.1354 65.4405 5.10976)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 6.20707 5.58608 5.10976
Created 658 atoms
  create_atoms CPU = 0.00166607 secs
658 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 6.20707 5.58608 5.10976
Created 658 atoms
  create_atoms CPU = 0.00142407 secs
658 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 = 10.4596
  ghost atom cutoff = 10.4596
  binsize = 5.22982, bins = 5 26 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 10.4596
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 12 atoms, new total = 1304
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:178)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 10.4596
  ghost atom cutoff = 10.4596
  binsize = 5.22982, bins = 5 26 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.4596
      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) = 6.771 | 6.771 | 6.771 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4502.2665            0   -4502.2665    4990.2239 
      46            0   -4545.5401            0   -4545.5401   -6427.0015 
Loop time of 1.51584 on 1 procs for 46 steps with 1304 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 = 
        -4502.26652805     -4545.53597942     -4545.54005447
  Force two-norm initial, final = 45.6851 0.253054
  Force max component initial, final = 11.1193 0.0225564
  Final line search alpha, max atom move = 1 0.0225564
  Iterations, force evaluations = 46 82

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.4835     | 1.4835     | 1.4835     |   0.0 | 97.86
Neigh   | 0.018595   | 0.018595   | 0.018595   |   0.0 |  1.23
Comm    | 0.0094893  | 0.0094893  | 0.0094893  |   0.0 |  0.63
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.004283   |            |       |  0.28

Nlocal:    1304 ave 1304 max 1304 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    13096 ave 13096 max 13096 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:  499752 ave 499752 max 499752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 499752
Ave neighs/atom = 383.245
Neighbor list builds = 1
Dangerous builds = 0
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:178)
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 46
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 6.772 | 6.772 | 6.772 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      46            0   -4545.5401            0   -4545.5401   -6427.0015    15472.309 
      50            0   -4545.6876            0   -4545.6876   -2158.2502    15421.558 
Loop time of 0.092016 on 1 procs for 4 steps with 1304 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 = 
        -4545.54005447     -4545.68433593     -4545.68763501
  Force two-norm initial, final = 86.5474 0.650112
  Force max component initial, final = 86.1736 0.548464
  Final line search alpha, max atom move = 9.38771e-05 5.14882e-05
  Iterations, force evaluations = 4 5

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.089935   | 0.089935   | 0.089935   |   0.0 | 97.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0005722  | 0.0005722  | 0.0005722  |   0.0 |  0.62
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.001509   |            |       |  1.64

Nlocal:    1304 ave 1304 max 1304 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    13116 ave 13116 max 13116 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:  500908 ave 500908 max 500908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 500908
Ave neighs/atom = 384.132
Neighbor list builds = 0
Dangerous builds = 0
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 10.4596
  ghost atom cutoff = 10.4596
  binsize = 5.22982, bins = 5 26 1
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.4596
      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) = 6.91 | 6.91 | 6.91 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4545.6876            0   -4545.6876   -2158.2502 
Loop time of 1.90735e-06 on 1 procs for 0 steps with 1304 atoms

157.3% 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:    1304 ave 1304 max 1304 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    13116 ave 13116 max 13116 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:  501388 ave 501388 max 501388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 501388
Ave neighs/atom = 384.5
Neighbor list builds = 0
Dangerous builds = 0
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 6.91 | 6.91 | 6.91 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   -4545.6876   -4545.6876    23.140572    130.88102    5.0918724   -2158.2502   -2158.2502    56.993663    -6514.164   -17.580274    2.3713408    514.36198 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 1304 atoms

314.6% 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:    1304 ave 1304 max 1304 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    13116 ave 13116 max 13116 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    250694 ave 250694 max 250694 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  501388 ave 501388 max 501388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 501388
Ave neighs/atom = 384.5
Neighbor list builds = 0
Dangerous builds = 0
1304
-4545.68763501181 eV
2.37134081062031 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:01