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 -43.749587 0) to (14.583196 43.749587 4.0446508)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.6089215 5.6089215 4.0446508
Created 156 atoms
  using lattice units in orthogonal box = (0 -43.749587 0) to (14.583196 43.749587 4.0446508)
  create_atoms CPU = 0.002 seconds
156 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.6089215 5.6089215 4.0446508
Created 158 atoms
  using lattice units in orthogonal box = (0 -43.749587 0) to (14.583196 43.749587 4.0446508)
  create_atoms CPU = 0.001 seconds
158 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 = 5 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 2 atoms, new total = 312

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 = 5 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) = 4.427 | 4.427 | 4.427 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -1025.944       0             -1025.944       15573.722    
        45   0             -1044.6797      0             -1044.6797      4274.0518    
Loop time of 2.35577 on 1 procs for 45 steps with 312 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 = 
     -1025.94401017168  -1044.67894747678  -1044.67966459921
  Force two-norm initial, final = 36.828789 0.064361389
  Force max component initial, final = 11.498897 0.013417077
  Final line search alpha, max atom move = 1 0.013417077
  Iterations, force evaluations = 45 84

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.3451     | 2.3451     | 2.3451     |   0.0 | 99.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0056501  | 0.0056501  | 0.0056501  |   0.0 |  0.24
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.005047   |            |       |  0.21

Nlocal:            312 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2820 ave        2820 max        2820 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:        24352 ave       24352 max       24352 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 24352
Ave neighs/atom = 78.051282
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 = 5 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  : 45
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.426 | 4.426 | 4.426 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
        45   0             -1044.6797      0             -1044.6797      4274.0518      5161.0456    
        54   0             -1044.7865      0             -1044.7865      10.76389       5188.5145    
Loop time of 0.31474 on 1 procs for 9 steps with 312 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 = 
     -1044.67966459921  -1044.78572602757  -1044.78653073036
  Force two-norm initial, final = 29.104378 0.21929407
  Force max component initial, final = 27.329178 0.13806589
  Final line search alpha, max atom move = 0.00076511707 0.00010563657
  Iterations, force evaluations = 9 10

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.31165    | 0.31165    | 0.31165    |   0.0 | 99.02
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00069683 | 0.00069683 | 0.00069683 |   0.0 |  0.22
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.002393   |            |       |  0.76

Nlocal:            312 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2784 ave        2784 max        2784 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:        24208 ave       24208 max       24208 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 24208
Ave neighs/atom = 77.589744
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 = 5 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) = 4.599 | 4.599 | 4.599 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -1044.7865      0             -1044.7865      10.76389     
Loop time of 6.405e-06 on 1 procs for 0 steps with 312 atoms

203.0% 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   |            | 6.405e-06  |            |       |100.00

Nlocal:            312 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2784 ave        2784 max        2784 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:        24160 ave       24160 max       24160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 24160
Ave neighs/atom = 77.435897
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 = 5 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) = 4.599 | 4.599 | 4.599 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  -1044.7865     -1044.7865      14.573369      88.262919      4.033711       10.76389       10.76389       42.605041     -3.3967057     -6.9166657      2.5494949      196.26082    
Loop time of 6.515e-06 on 1 procs for 0 steps with 312 atoms

230.2% 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   |            | 6.515e-06  |            |       |100.00

Nlocal:            312 ave         312 max         312 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2784 ave        2784 max        2784 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          12080 ave       12080 max       12080 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:        24160 ave       24160 max       24160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 24160
Ave neighs/atom = 77.435897
Neighbor list builds = 0
Dangerous builds = 0
312
-1044.78653073036 eV
2.54949492462016 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:03