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 -49.2053 0) to (24.60265 49.2053 4.0446508)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.6545554 4.6545554 4.0446508
Created 296 atoms
  using lattice units in orthogonal box = (0 -49.2053 0) to (24.60265 49.2053 4.0446508)
  create_atoms CPU = 0.002 seconds
296 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.6545554 4.6545554 4.0446508
Created 298 atoms
  using lattice units in orthogonal box = (0 -49.2053 0) to (24.60265 49.2053 4.0446508)
  create_atoms CPU = 0.001 seconds
298 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 29 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 = 592

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 29 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) = 4.497 | 4.497 | 4.497 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -1873.83        0             -1873.83        27829.608    
        63   0             -1982.0665      0             -1982.0665      4089.9473    
Loop time of 6.19168 on 1 procs for 63 steps with 592 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 = 
     -1873.82998810063  -1982.06486012081   -1982.0665358807
  Force two-norm initial, final = 208.01726 0.092704959
  Force max component initial, final = 57.367537 0.015775556
  Final line search alpha, max atom move = 1 0.015775556
  Iterations, force evaluations = 63 116

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 6.1611     | 6.1611     | 6.1611     |   0.0 | 99.51
Neigh   | 0.0077907  | 0.0077907  | 0.0077907  |   0.0 |  0.13
Comm    | 0.011723   | 0.011723   | 0.011723   |   0.0 |  0.19
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.01103    |            |       |  0.18

Nlocal:            592 ave         592 max         592 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4082 ave        4082 max        4082 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:        45896 ave       45896 max       45896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 45896
Ave neighs/atom = 77.527027
Neighbor list builds = 1
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 29 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  : 63
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.496 | 4.496 | 4.496 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
        63   0             -1982.0665      0             -1982.0665      4089.9473      9792.7531    
        72   0             -1982.2404      0             -1982.2404      14.013175      9842.7948    
Loop time of 0.580013 on 1 procs for 9 steps with 592 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 = 
      -1982.0665358807  -1982.24011243144  -1982.24036117628
  Force two-norm initial, final = 50.833513 0.24435581
  Force max component initial, final = 46.052855 0.10714387
  Final line search alpha, max atom move = 0.0010459406 0.00011206613
  Iterations, force evaluations = 9 10

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.57546    | 0.57546    | 0.57546    |   0.0 | 99.21
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0009653  | 0.0009653  | 0.0009653  |   0.0 |  0.17
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.00359    |            |       |  0.62

Nlocal:            592 ave         592 max         592 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4105 ave        4105 max        4105 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:        46080 ave       46080 max       46080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 46080
Ave neighs/atom = 77.837838
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 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) = 4.685 | 4.685 | 4.685 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -1982.2404      0             -1982.2404      14.013175    
Loop time of 6.265e-06 on 1 procs for 0 steps with 592 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   |            | 6.265e-06  |            |       |100.00

Nlocal:            592 ave         592 max         592 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4092 ave        4092 max        4092 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:        45928 ave       45928 max       45928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 45928
Ave neighs/atom = 77.581081
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 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) = 4.685 | 4.685 | 4.685 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  -1982.2404     -1982.2404      24.599356      99.228521      4.0323497      14.013175      14.013175      13.64348       11.008573      17.387471      2.6089345      245.87724    
Loop time of 6.655e-06 on 1 procs for 0 steps with 592 atoms

285.5% 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   |            | 6.655e-06  |            |       |100.00

Nlocal:            592 ave         592 max         592 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4092 ave        4092 max        4092 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          22964 ave       22964 max       22964 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:        45928 ave       45928 max       45928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 45928
Ave neighs/atom = 77.581081
Neighbor list builds = 0
Dangerous builds = 0
592
-1982.24036117628 eV
2.6089344696456 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:07