LAMMPS (23 Jun 2022)
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 = 4.0446508 4.0446508 4.0446508
Created orthogonal box = (0 -50.029567 0) to (23.584164 50.029567 5.72)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 6.9365189 6.8668033 5.72
Created 408 atoms
  using lattice units in orthogonal box = (0 -50.029567 0) to (23.584164 50.029567 5.72)
  create_atoms CPU = 0.004 seconds
408 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 6.9365189 6.8668033 5.72
Created 412 atoms
  using lattice units in orthogonal box = (0 -50.029567 0) to (23.584164 50.029567 5.72)
  create_atoms CPU = 0.003 seconds
412 atoms in group lower
Displacing atoms ...
System init for delete_atoms ...
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 7 30 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 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 4 atoms, new total = 816

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_618133763375_002#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:187)
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 7 30 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      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) = 4.55 | 4.55 | 4.55 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -2678.6503      0             -2678.6503      14932.187    
        77   0             -2734.2547      0             -2734.2547      3476.5379    
Loop time of 10.0281 on 1 procs for 77 steps with 816 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 = 
     -2678.65026525161   -2734.2520345813  -2734.25470986654
  Force two-norm initial, final = 82.066277 0.12020746
  Force max component initial, final = 17.498034 0.010775945
  Final line search alpha, max atom move = 1 0.010775945
  Iterations, force evaluations = 77 147

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.9756     | 9.9756     | 9.9756     |   0.0 | 99.48
Neigh   | 0.021437   | 0.021437   | 0.021437   |   0.0 |  0.21
Comm    | 0.015454   | 0.015454   | 0.015454   |   0.0 |  0.15
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.01563    |            |       |  0.16

Nlocal:            816 ave         816 max         816 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3934 ave        3934 max        3934 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:        63352 ave       63352 max       63352 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 63352
Ave neighs/atom = 77.637255
Neighbor list builds = 2
Dangerous builds = 0
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:187)
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 7 30 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 77
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.55 | 4.55 | 4.55 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
        77   0             -2734.2547      0             -2734.2547      3476.5379      13498.119    
        83   0             -2734.3932      0             -2734.3932     -169.16549      13560.127    
Loop time of 0.537038 on 1 procs for 6 steps with 816 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 = 
     -2734.25470986654  -2734.39089639001  -2734.39323309924
  Force two-norm initial, final = 57.994134 2.5349121
  Force max component initial, final = 52.175521 1.7368267
  Final line search alpha, max atom move = 0.00021239901 0.00036890028
  Iterations, force evaluations = 6 7

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.5336     | 0.5336     | 0.5336     |   0.0 | 99.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00068433 | 0.00068433 | 0.00068433 |   0.0 |  0.13
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.00275    |            |       |  0.51

Nlocal:            816 ave         816 max         816 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3905 ave        3905 max        3905 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:        63296 ave       63296 max       63296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 63296
Ave neighs/atom = 77.568627
Neighbor list builds = 0
Dangerous builds = 0
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 7 30 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      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) = 4.738 | 4.738 | 4.738 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -2734.3932      0             -2734.3932     -169.16549    
Loop time of 6.255e-06 on 1 procs for 0 steps with 816 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   |            | 6.255e-06  |            |       |100.00

Nlocal:            816 ave         816 max         816 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3905 ave        3905 max        3905 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:        63288 ave       63288 max       63288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 63288
Ave neighs/atom = 77.558824
Neighbor list builds = 0
Dangerous builds = 0
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 7 30 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.8
      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) = 4.738 | 4.738 | 4.738 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  -2734.3932     -2734.3932      23.578058      100.6416       5.7144994     -169.16549     -169.16549     -179.87523     -122.60642     -205.01482      2.699917       567.61298    
Loop time of 7.688e-06 on 1 procs for 0 steps with 816 atoms

247.1% 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   |            | 7.688e-06  |            |       |100.00

Nlocal:            816 ave         816 max         816 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3905 ave        3905 max        3905 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          31644 ave       31644 max       31644 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:        63288 ave       63288 max       63288 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 63288
Ave neighs/atom = 77.558824
Neighbor list builds = 0
Dangerous builds = 0
816
-2734.39323309924 eV
2.69991704377537 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:11