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 -40.446508 0) to (4.0446508 40.446508 4.0446508)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.0446508 4.0446508 4.0446508
Created 40 atoms
  using lattice units in orthogonal box = (0 -40.446508 0) to (4.0446508 40.446508 4.0446508)
  create_atoms CPU = 0.001 seconds
40 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.0446508 4.0446508 4.0446508
Created 42 atoms
  using lattice units in orthogonal box = (0 -40.446508 0) to (4.0446508 40.446508 4.0446508)
  create_atoms CPU = 0.000 seconds
42 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 = 2 24 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 2 atoms, new total = 80

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 = 2 24 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) = 4.385 | 4.385 | 4.385 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -268.8          0             -268.8         -0.00036405818
         1   0             -268.8          0             -268.8         -0.00036405821
Loop time of 0.0236093 on 1 procs for 1 steps with 80 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 = 
     -268.800000010084  -268.800000010084  -268.800000010084
  Force two-norm initial, final = 4.8767206e-08 1.6397873e-08
  Force max component initial, final = 2.4377502e-08 8.1872803e-09
  Final line search alpha, max atom move = 1 8.1872803e-09
  Iterations, force evaluations = 1 2

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.023223   | 0.023223   | 0.023223   |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00015374 | 0.00015374 | 0.00015374 |   0.0 |  0.65
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0002321  |            |       |  0.98

Nlocal:             80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1823 ave        1823 max        1823 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:         6240 ave        6240 max        6240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6240
Ave neighs/atom = 78
Neighbor list builds = 0
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 = 2 24 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  : 1
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.385 | 4.385 | 4.385 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
         1   0             -268.8          0             -268.8         -0.00036405821  1323.345     
         2   0             -268.8          0             -268.8          1.6656406e-06  1323.345     
Loop time of 0.0236298 on 1 procs for 1 steps with 80 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 = 
     -268.800000010084  -268.800000010084  -268.800000010081
  Force two-norm initial, final = 5.2228368e-07 3.2110121e-08
  Force max component initial, final = 3.2956435e-07 2.11067e-08
  Final line search alpha, max atom move = 1 2.11067e-08
  Iterations, force evaluations = 1 2

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.02308    | 0.02308    | 0.02308    |   0.0 | 97.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00016189 | 0.00016189 | 0.00016189 |   0.0 |  0.69
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0003876  |            |       |  1.64

Nlocal:             80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1823 ave        1823 max        1823 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:         6240 ave        6240 max        6240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6240
Ave neighs/atom = 78
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 = 2 24 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) = 4.546 | 4.546 | 4.546 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -268.8          0             -268.8          1.6657514e-06
Loop time of 6.656e-06 on 1 procs for 0 steps with 80 atoms

165.3% 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   |            | 6.656e-06  |            |       |100.00

Nlocal:             80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1823 ave        1823 max        1823 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:         6240 ave        6240 max        6240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6240
Ave neighs/atom = 78
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 = 2 24 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) = 4.546 | 4.546 | 4.546 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  -268.8         -268.8          4.0446508      80.893016      4.0446508      1.6657514e-06  1.6657514e-06  1.5275538e-05 -2.5553811e-05  1.5275527e-05  2.86           1.2192397e-16
Loop time of 6.294e-06 on 1 procs for 0 steps with 80 atoms

206.5% 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   |            | 6.294e-06  |            |       |100.00

Nlocal:             80 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1823 ave        1823 max        1823 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:           3120 ave        3120 max        3120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:         6240 ave        6240 max        6240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6240
Ave neighs/atom = 78
Neighbor list builds = 0
Dangerous builds = 0
80
-268.800000010081 eV
2.85999999228217 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00