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 -42.995228 0) to (42.995228 42.995228 4.0446508)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.7073311 5.7073311 4.0446508
Created 452 atoms
  using lattice units in orthogonal box = (0 -42.995228 0) to (42.995228 42.995228 4.0446508)
  create_atoms CPU = 0.003 seconds
452 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.7073311 5.7073311 4.0446508
Created 454 atoms
  using lattice units in orthogonal box = (0 -42.995228 0) to (42.995228 42.995228 4.0446508)
  create_atoms CPU = 0.002 seconds
454 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 = 13 26 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 = 906

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 = 13 26 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) = 4.556 | 4.556 | 4.556 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -2979.496       0             -2979.496       17384.159    
        69   0             -3037.5846      0             -3037.5846      3992.4594    
Loop time of 9.09133 on 1 procs for 69 steps with 906 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 = 
     -2979.49604173576  -3037.58213975861  -3037.58460999271
  Force two-norm initial, final = 48.084733 0.1222513
  Force max component initial, final = 12.161758 0.020103964
  Final line search alpha, max atom move = 1 0.020103964
  Iterations, force evaluations = 69 110

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.0385     | 9.0385     | 9.0385     |   0.0 | 99.42
Neigh   | 0.023633   | 0.023633   | 0.023633   |   0.0 |  0.26
Comm    | 0.0145     | 0.0145     | 0.0145     |   0.0 |  0.16
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.01469    |            |       |  0.16

Nlocal:            906 ave         906 max         906 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5321 ave        5321 max        5321 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:        70524 ave       70524 max       70524 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 70524
Ave neighs/atom = 77.84106
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 = 13 26 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  : 69
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.556 | 4.556 | 4.556 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
        69   0             -3037.5846      0             -3037.5846      3992.4594      14953.799    
        76   0             -3037.7731      0             -3037.7731     -0.37223829     15028.367    
Loop time of 0.701013 on 1 procs for 7 steps with 906 atoms

99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
     -3037.58460999271  -3037.77237710314  -3037.77308702643
  Force two-norm initial, final = 72.579826 0.26915986
  Force max component initial, final = 64.153423 0.17257379
  Final line search alpha, max atom move = 0.00050761041 8.7600252e-05
  Iterations, force evaluations = 7 8

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.69613    | 0.69613    | 0.69613    |   0.0 | 99.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0011437  | 0.0011437  | 0.0011437  |   0.0 |  0.16
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.003742   |            |       |  0.53

Nlocal:            906 ave         906 max         906 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5333 ave        5333 max        5333 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:        70572 ave       70572 max       70572 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 70572
Ave neighs/atom = 77.89404
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 = 13 26 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) = 4.759 | 4.759 | 4.759 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -3037.7731      0             -3037.7731     -0.37223829   
Loop time of 6.415e-06 on 1 procs for 0 steps with 906 atoms

218.2% 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   |            | 6.415e-06  |            |       |100.00

Nlocal:            906 ave         906 max         906 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5320 ave        5320 max        5320 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:        70492 ave       70492 max       70492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 70492
Ave neighs/atom = 77.80574
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 = 13 26 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) = 4.759 | 4.759 | 4.759 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  -3037.7731     -3037.7731      43.003118      86.539223      4.0383026     -0.37223829    -0.37223829     18.401494     -10.118703     -9.3995064      2.5639412      173.63089    
Loop time of 6.735e-06 on 1 procs for 0 steps with 906 atoms

282.1% 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   |            | 6.735e-06  |            |       |100.00

Nlocal:            906 ave         906 max         906 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5320 ave        5320 max        5320 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          35246 ave       35246 max       35246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:        70492 ave       70492 max       70492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 70492
Ave neighs/atom = 77.80574
Neighbor list builds = 0
Dangerous builds = 0
906
-3037.77308702643 eV
2.56394118606115 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:10