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 = 4.0500004 4.0500004 4.0500004
Created orthogonal box = (0.0000000 -53.115257 0.0000000) to (37.558159 53.115257 5.7275655)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 6.9875644 6.7938120 5.7275655
Created 684 atoms
  using lattice units in orthogonal box = (0.0000000 -53.115257 0.0000000) to (37.558159 53.115257 5.7275655)
  create_atoms CPU = 0.005 seconds
684 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 6.9875644 6.7938120 5.7275655
Created 692 atoms
  using lattice units in orthogonal box = (0.0000000 -53.115257 0.0000000) to (37.558159 53.115257 5.7275655)
  create_atoms CPU = 0.005 seconds
692 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 = 10 28 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 7.80375
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 1 atoms, new total = 1375

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_820335782779_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 = 10 28 2
  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) = 5.073 | 5.073 | 5.073 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0    -4496.293            0    -4496.293    6148.8621 
      71            0   -4608.9933            0   -4608.9933    5913.7239 
Loop time of 2.54243 on 1 procs for 71 steps with 1375 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 = 
     -4496.29297373184  -4608.98875770339  -4608.99325567932
  Force two-norm initial, final = 37.383093 0.20310063
  Force max component initial, final = 6.3776265 0.052513527
  Final line search alpha, max atom move = 1.0000000 0.052513527
  Iterations, force evaluations = 71 129

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.4743     | 2.4743     | 2.4743     |   0.0 | 97.32
Neigh   | 0.024935   | 0.024935   | 0.024935   |   0.0 |  0.98
Comm    | 0.021915   | 0.021915   | 0.021915   |   0.0 |  0.86
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0213     |            |       |  0.84

Nlocal:        1375.00 ave        1375 max        1375 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        6991.00 ave        6991 max        6991 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:      181136.0 ave      181136 max      181136 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 181136
Ave neighs/atom = 131.73527
Neighbor list builds = 1
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 = 10 28 2
  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  : 71
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 5.073 | 5.073 | 5.073 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      71            0   -4608.9933            0   -4608.9933    5913.7239     22851.97 
      84            0   -4610.0173            0   -4610.0173     26.04527    23018.018 
Loop time of 0.322049 on 1 procs for 13 steps with 1375 atoms

99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
     -4608.99325567937  -4610.01718200696   -4610.0172630155
  Force two-norm initial, final = 191.54858 0.85595317
  Force max component initial, final = 182.59788 0.50193088
  Final line search alpha, max atom move = 0.0011153466 0.00055982692
  Iterations, force evaluations = 13 14

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.28545    | 0.28545    | 0.28545    |   0.0 | 88.63
Neigh   | 0.024618   | 0.024618   | 0.024618   |   0.0 |  7.64
Comm    | 0.002749   | 0.002749   | 0.002749   |   0.0 |  0.85
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.009235   |            |       |  2.87

Nlocal:        1375.00 ave        1375 max        1375 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        6982.00 ave        6982 max        6982 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:      180832.0 ave      180832 max      180832 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 180832
Ave neighs/atom = 131.51418
Neighbor list builds = 1
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 = 10 28 2
  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) = 5.211 | 5.211 | 5.211 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4610.0173            0   -4610.0173     26.04527 
Loop time of 6.285e-06 on 1 procs for 0 steps with 1375 atoms

175.0% 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   |            | 6.285e-06  |            |       |100.00

Nlocal:        1375.00 ave        1375 max        1375 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        6990.00 ave        6990 max        6990 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:      180812.0 ave      180812 max      180812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 180812
Ave neighs/atom = 131.49964
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 = 10 28 2
  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) = 5.211 | 5.211 | 5.211 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   -4610.0173   -4610.0173    37.403735    107.50868    5.7241293     26.04527     26.04527    17.331974    25.887737    34.916099    2.7172011    966.76144 
Loop time of 7.096e-06 on 1 procs for 0 steps with 1375 atoms

267.8% 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   |            | 7.096e-06  |            |       |100.00

Nlocal:        1375.00 ave        1375 max        1375 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        6990.00 ave        6990 max        6990 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        90406.0 ave       90406 max       90406 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      180812.0 ave      180812 max      180812 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 180812
Ave neighs/atom = 131.49964
Neighbor list builds = 0
Dangerous builds = 0
1375
-4610.0172630155 eV
2.71720111458229 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:03