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 -58.891004 0) to (29.445502 58.891004 4.0446508)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.0001796 5.0001796 4.0446508
Created 424 atoms
  using lattice units in orthogonal box = (0 -58.891004 0) to (29.445502 58.891004 4.0446508)
  create_atoms CPU = 0.002 seconds
424 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.0001796 5.0001796 4.0446508
Created 426 atoms
  using lattice units in orthogonal box = (0 -58.891004 0) to (29.445502 58.891004 4.0446508)
  create_atoms CPU = 0.001 seconds
426 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 = 9 35 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 = 848

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 = 9 35 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) = 4.55 | 4.55 | 4.55 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -2771.3257      0             -2771.3257      15576.066    
        79   0             -2840.3177      0             -2840.3177      3959.3713    
Loop time of 10.6294 on 1 procs for 79 steps with 848 atoms

99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
     -2771.32573385551  -2840.31529199265  -2840.31768679987
  Force two-norm initial, final = 132.93002 0.10455652
  Force max component initial, final = 44.430635 0.009826372
  Final line search alpha, max atom move = 1 0.009826372
  Iterations, force evaluations = 79 148

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.586     | 10.586     | 10.586     |   0.0 | 99.59
Neigh   | 0.01006    | 0.01006    | 0.01006    |   0.0 |  0.09
Comm    | 0.017158   | 0.017158   | 0.017158   |   0.0 |  0.16
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.01666    |            |       |  0.16

Nlocal:            848 ave         848 max         848 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4672 ave        4672 max        4672 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:        65776 ave       65776 max       65776 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 65776
Ave neighs/atom = 77.566038
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 = 9 35 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  : 79
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.55 | 4.55 | 4.55 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
        79   0             -2840.3177      0             -2840.3177      3959.3713      14027.457    
        89   0             -2840.5972      0             -2840.5972     -29.064908      14097.237    
Loop time of 0.902382 on 1 procs for 10 steps with 848 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 = 
     -2840.31768679987   -2840.5972028947  -2840.59721309215
  Force two-norm initial, final = 74.008257 0.52067529
  Force max component initial, final = 69.771214 0.27820359
  Final line search alpha, max atom move = 0.0059937311 0.0016674775
  Iterations, force evaluations = 10 11

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.88562    | 0.88562    | 0.88562    |   0.0 | 98.14
Neigh   | 0.010097   | 0.010097   | 0.010097   |   0.0 |  1.12
Comm    | 0.0015304  | 0.0015304  | 0.0015304  |   0.0 |  0.17
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.005132   |            |       |  0.57

Nlocal:            848 ave         848 max         848 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4652 ave        4652 max        4652 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:        65824 ave       65824 max       65824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 65824
Ave neighs/atom = 77.622642
Neighbor list builds = 1
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 = 9 35 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) = 4.747 | 4.747 | 4.747 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -2840.5972      0             -2840.5972     -29.064908    
Loop time of 6.615e-06 on 1 procs for 0 steps with 848 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   |            | 6.615e-06  |            |       |100.00

Nlocal:            848 ave         848 max         848 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4652 ave        4652 max        4652 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:        65824 ave       65824 max       65824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 65824
Ave neighs/atom = 77.622642
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 = 9 35 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) = 4.747 | 4.747 | 4.747 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  -2840.5972     -2840.5972      29.411879      118.84475      4.0330279     -29.064908     -29.064908     -27.835879     -27.831364     -31.527481      2.5998282      451.29836    
Loop time of 7.136e-06 on 1 procs for 0 steps with 848 atoms

224.2% 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   |            | 7.136e-06  |            |       |100.00

Nlocal:            848 ave         848 max         848 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           4652 ave        4652 max        4652 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          32912 ave       32912 max       32912 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:        65824 ave       65824 max       65824 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 65824
Ave neighs/atom = 77.622642
Neighbor list builds = 0
Dangerous builds = 0
848
-2840.59721309215 eV
2.59982822687154 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:12