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 -51.796803 0) to (25.898401 51.796803 4.0446508)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.6850149 5.6850149 4.0446508
Created 328 atoms
  using lattice units in orthogonal box = (0 -51.796803 0) to (25.898401 51.796803 4.0446508)
  create_atoms CPU = 0.002 seconds
328 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.6850149 5.6850149 4.0446508
Created 330 atoms
  using lattice units in orthogonal box = (0 -51.796803 0) to (25.898401 51.796803 4.0446508)
  create_atoms CPU = 0.001 seconds
330 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 = 8 31 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 0 atoms, new total = 658

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 = 8 31 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) = 4.509 | 4.509 | 4.509 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -2111.6684      0             -2111.6684      26945.153    
        71   0             -2205.6167      0             -2205.6167      5012.531     
Loop time of 7.67034 on 1 procs for 71 steps with 658 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 = 
     -2111.66835178874  -2205.61503390412  -2205.61669476489
  Force two-norm initial, final = 143.03744 0.10908035
  Force max component initial, final = 38.135506 0.027295399
  Final line search alpha, max atom move = 1 0.027295399
  Iterations, force evaluations = 71 129

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.6238     | 7.6238     | 7.6238     |   0.0 | 99.39
Neigh   | 0.019197   | 0.019197   | 0.019197   |   0.0 |  0.25
Comm    | 0.014307   | 0.014307   | 0.014307   |   0.0 |  0.19
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.01303    |            |       |  0.17

Nlocal:            658 ave         658 max         658 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4220 ave        4220 max        4220 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:        51212 ave       51212 max       51212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 51212
Ave neighs/atom = 77.829787
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 = 8 31 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  : 71
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.505 | 4.505 | 4.505 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
        71   0             -2205.6167      0             -2205.6167      5012.531       10851.429    
        80   0             -2205.8286      0             -2205.8286      12.503666      10918.986    
Loop time of 0.669881 on 1 procs for 9 steps with 658 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 = 
     -2205.61669476489  -2205.82859424798  -2205.82863098166
  Force two-norm initial, final = 66.045851 0.36416362
  Force max component initial, final = 58.427174 0.30731589
  Final line search alpha, max atom move = 0.0011301316 0.00034730739
  Iterations, force evaluations = 9 11

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.66509    | 0.66509    | 0.66509    |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0009792  | 0.0009792  | 0.0009792  |   0.0 |  0.15
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.003814   |            |       |  0.57

Nlocal:            658 ave         658 max         658 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3882 ave        3882 max        3882 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:        51200 ave       51200 max       51200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 51200
Ave neighs/atom = 77.81155
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 = 8 31 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) = 4.693 | 4.693 | 4.693 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -2205.8286      0             -2205.8286      12.503666    
Loop time of 6.516e-06 on 1 procs for 0 steps with 658 atoms

245.5% 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   |            | 6.516e-06  |            |       |100.00

Nlocal:            658 ave         658 max         658 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3882 ave        3882 max        3882 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:        51164 ave       51164 max       51164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 51164
Ave neighs/atom = 77.756839
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 = 8 31 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) = 4.693 | 4.693 | 4.693 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  -2205.8286     -2205.8286      25.897069      104.41602      4.0379841      12.503666      12.503666      45.091085      1.2950112     -8.8750985      2.5599771      180.99983    
Loop time of 6.786e-06 on 1 procs for 0 steps with 658 atoms

265.3% 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   |            | 6.786e-06  |            |       |100.00

Nlocal:            658 ave         658 max         658 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           3882 ave        3882 max        3882 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          25582 ave       25582 max       25582 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:        51164 ave       51164 max       51164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 51164
Ave neighs/atom = 77.756839
Neighbor list builds = 0
Dangerous builds = 0
658
-2205.82863098166 eV
2.55997712648802 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:08