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 -69.586803 0) to (34.793402 69.586803 4.0446508)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.6421732 5.6421732 4.0446508
Created 592 atoms
  using lattice units in orthogonal box = (0 -69.586803 0) to (34.793402 69.586803 4.0446508)
  create_atoms CPU = 0.003 seconds
592 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.6421732 5.6421732 4.0446508
Created 594 atoms
  using lattice units in orthogonal box = (0 -69.586803 0) to (34.793402 69.586803 4.0446508)
  create_atoms CPU = 0.002 seconds
594 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 = 11 41 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 = 1186

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 = 11 41 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) = 4.642 | 4.642 | 4.642 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -3872.4214      0             -3872.4214      17747.776    
        78   0             -3976.5031      0             -3976.5031      3825.4625    
Loop time of 14.5709 on 1 procs for 78 steps with 1186 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 = 
     -3872.42138367903  -3976.49977776229   -3976.5031006167
  Force two-norm initial, final = 132.71501 0.15280333
  Force max component initial, final = 39.360119 0.026685184
  Final line search alpha, max atom move = 1 0.026685184
  Iterations, force evaluations = 78 144

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.495     | 14.495     | 14.495     |   0.0 | 99.48
Neigh   | 0.029986   | 0.029986   | 0.029986   |   0.0 |  0.21
Comm    | 0.024223   | 0.024223   | 0.024223   |   0.0 |  0.17
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.02151    |            |       |  0.15

Nlocal:           1186 ave        1186 max        1186 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6959 ave        6959 max        6959 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:        92200 ave       92200 max       92200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92200
Ave neighs/atom = 77.740304
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 = 11 41 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  : 78
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.642 | 4.642 | 4.642 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
        78   0             -3976.5031      0             -3976.5031      3825.4625      19585.506    
        85   0             -3976.7532      0             -3976.7532     -67.025066      19680.742    
Loop time of 0.884918 on 1 procs for 7 steps with 1186 atoms

100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
     -3976.50310061669  -3976.75121247373  -3976.75321971048
  Force two-norm initial, final = 92.994834 1.5019651
  Force max component initial, final = 83.962967 1.1140737
  Final line search alpha, max atom move = 0.00022720148 0.0002531192
  Iterations, force evaluations = 7 8

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.87889    | 0.87889    | 0.87889    |   0.0 | 99.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0013082  | 0.0013082  | 0.0013082  |   0.0 |  0.15
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.004721   |            |       |  0.53

Nlocal:           1186 ave        1186 max        1186 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6955 ave        6955 max        6955 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:        92208 ave       92208 max       92208 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92208
Ave neighs/atom = 77.747049
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 = 11 42 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) = 4.866 | 4.866 | 4.866 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -3976.7532      0             -3976.7532     -67.025066    
Loop time of 6.284e-06 on 1 procs for 0 steps with 1186 atoms

222.8% 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   |            | 6.284e-06  |            |       |100.00

Nlocal:           1186 ave        1186 max        1186 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6955 ave        6955 max        6955 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:        92128 ave       92128 max       92128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92128
Ave neighs/atom = 77.679595
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 = 11 42 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) = 4.866 | 4.866 | 4.866 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  -3976.7532     -3976.7532      34.78523       140.0953       4.0385274     -67.025066     -67.025066     -41.808985     -68.708631     -90.557582      2.536511       375.2365     
Loop time of 6.696e-06 on 1 procs for 0 steps with 1186 atoms

298.7% 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   |            | 6.696e-06  |            |       |100.00

Nlocal:           1186 ave        1186 max        1186 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6955 ave        6955 max        6955 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          46064 ave       46064 max       46064 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:        92128 ave       92128 max       92128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92128
Ave neighs/atom = 77.679595
Neighbor list builds = 0
Dangerous builds = 0
1186
-3976.75321971048 eV
2.53651098843538 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:16