LAMMPS (30 Jul 2021)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.6200001 3.6200001 3.6200001
Created orthogonal box = (0.0000000 -68.302024 0.0000000) to (34.151012 68.302024 3.6200001)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.9883501 4.9883501 3.6200001
Created 712 atoms
  using lattice units in orthogonal box = (0.0000000 -68.302024 0.0000000) to (34.151012 68.302024 3.6200001)
  create_atoms CPU = 0.003 seconds
712 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.9883501 4.9883501 3.6200001
Created 714 atoms
  using lattice units in orthogonal box = (0.0000000 -68.302024 0.0000000) to (34.151012 68.302024 3.6200001)
  create_atoms CPU = 0.002 seconds
714 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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 9 36 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 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 0 atoms, new total = 1426

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Your simulation uses code contributions which should be cited:
- OpenKIM: https://doi.org/10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/MO_803527979660_000#item-citation
The log file lists these citations in BibTeX format.

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:189)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 9 36 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      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) = 5.541 | 5.541 | 5.541 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4972.6276            0   -4972.6276    6616.2467 
      74            0   -5036.0483            0   -5036.0483    6139.0478 
Loop time of 4.13444 on 1 procs for 74 steps with 1426 atoms

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

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
     -4972.62760422286  -5036.04404881828  -5036.04830082969
  Force two-norm initial, final = 46.135325 0.24467479
  Force max component initial, final = 10.692660 0.058421103
  Final line search alpha, max atom move = 1.0000000 0.058421103
  Iterations, force evaluations = 74 138

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 4.0742     | 4.0742     | 4.0742     |   0.0 | 98.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.036255   | 0.036255   | 0.036255   |   0.0 |  0.88
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.02397    |            |       |  0.58

Nlocal:        1426.00 ave        1426 max        1426 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        11285.0 ave       11285 max       11285 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      250604.0 ave      250604 max      250604 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250604
Ave neighs/atom = 175.73913
Neighbor list builds = 0
Dangerous builds = 0
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:189)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 9 36 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 74
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 5.541 | 5.541 | 5.541 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      74            0   -5036.0483            0   -5036.0483    6139.0478    16887.903 
      81            0   -5036.3891            0   -5036.3891    362.88859    16960.165 
Loop time of 0.238201 on 1 procs for 7 steps with 1426 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 = 
      -5036.0483008297  -5036.38429002483  -5036.38907968691
  Force two-norm initial, final = 130.90453 7.1199078
  Force max component initial, final = 119.42179 5.7399925
  Final line search alpha, max atom move = 0.00014423772 0.00082792342
  Iterations, force evaluations = 7 7

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.23029    | 0.23029    | 0.23029    |   0.0 | 96.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0018333  | 0.0018333  | 0.0018333  |   0.0 |  0.77
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.006076   |            |       |  2.55

Nlocal:        1426.00 ave        1426 max        1426 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        11290.0 ave       11290 max       11290 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      248992.0 ave      248992 max      248992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 248992
Ave neighs/atom = 174.60870
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 9 36 1
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      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
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.679 | 5.679 | 5.679 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -5036.3891            0   -5036.3891    362.88859 
Loop time of 6.595e-06 on 1 procs for 0 steps with 1426 atoms

197.1% 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   |            | 6.595e-06  |            |       |100.00

Nlocal:        1426.00 ave        1426 max        1426 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        11274.0 ave       11274 max       11274 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      248800.0 ave      248800 max      248800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 248800
Ave neighs/atom = 174.47405
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 = 7.80375
  ghost atom cutoff = 7.80375
  binsize = 3.901875, bins = 9 36 1
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.80375
      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
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.679 | 5.679 | 5.679 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   -5036.3891   -5036.3891    34.158038    137.44678    3.6124561    362.88859    362.88859    339.38671    545.58524    203.69381    2.3063148     411.3556 
Loop time of 6.806e-06 on 1 procs for 0 steps with 1426 atoms

249.8% 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   |            | 6.806e-06  |            |       |100.00

Nlocal:        1426.00 ave        1426 max        1426 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        11274.0 ave       11274 max       11274 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        124400.0 ave      124400 max      124400 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      248800.0 ave      248800 max      248800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 248800
Ave neighs/atom = 174.47405
Neighbor list builds = 0
Dangerous builds = 0
1426
-5036.38907968691 eV
2.30631484791206 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:05