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 -63.179465 0) to (31.589732 63.179465 4.0446508)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.6965091 5.6965091 4.0446508
Created 488 atoms
  using lattice units in orthogonal box = (0 -63.179465 0) to (31.589732 63.179465 4.0446508)
  create_atoms CPU = 0.002 seconds
488 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.6965091 5.6965091 4.0446508
Created 490 atoms
  using lattice units in orthogonal box = (0 -63.179465 0) to (31.589732 63.179465 4.0446508)
  create_atoms CPU = 0.002 seconds
490 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 = 10 38 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 = 978

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 = 10 38 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) = 4.595 | 4.595 | 4.595 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -3172.3142      0             -3172.3142      20988.73     
        75   0             -3280.3481      0             -3280.3481      3507.1009    
Loop time of 11.413 on 1 procs for 75 steps with 978 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 = 
     -3172.31424283911  -3280.34497338255  -3280.34806487634
  Force two-norm initial, final = 143.06409 0.14746152
  Force max component initial, final = 29.798979 0.022733873
  Final line search alpha, max atom move = 1 0.022733873
  Iterations, force evaluations = 75 136

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.35      | 11.35      | 11.35      |   0.0 | 99.45
Neigh   | 0.024952   | 0.024952   | 0.024952   |   0.0 |  0.22
Comm    | 0.019836   | 0.019836   | 0.019836   |   0.0 |  0.17
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.01818    |            |       |  0.16

Nlocal:            978 ave         978 max         978 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5992 ave        5992 max        5992 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:        76136 ave       76136 max       76136 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 76136
Ave neighs/atom = 77.848671
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 = 10 38 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  : 75
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.595 | 4.595 | 4.595 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
        75   0             -3280.3481      0             -3280.3481      3507.1009      16144.809    
        81   0             -3280.5044      0             -3280.5044     -190.06164      16219.47     
Loop time of 0.653598 on 1 procs for 6 steps with 978 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 = 
     -3280.34806487635  -3280.50320270248   -3280.5044430243
  Force two-norm initial, final = 68.79953 3.6873776
  Force max component initial, final = 60.869647 3.014022
  Final line search alpha, max atom move = 0.00022539355 0.00067934112
  Iterations, force evaluations = 6 7

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.64889    | 0.64889    | 0.64889    |   0.0 | 99.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0010118  | 0.0010118  | 0.0010118  |   0.0 |  0.15
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.003696   |            |       |  0.57

Nlocal:            978 ave         978 max         978 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6005 ave        6005 max        6005 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:        76164 ave       76164 max       76164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 76164
Ave neighs/atom = 77.877301
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 = 10 38 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) = 4.806 | 4.806 | 4.806 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -3280.5044      0             -3280.5044     -190.06164    
Loop time of 5.873e-06 on 1 procs for 0 steps with 978 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   |            | 5.873e-06  |            |       |100.00

Nlocal:            978 ave         978 max         978 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6005 ave        6005 max        6005 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:        76100 ave       76100 max       76100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 76100
Ave neighs/atom = 77.811861
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 = 10 38 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) = 4.806 | 4.806 | 4.806 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  -3280.5044     -3280.5044      31.593731      127.05336      4.0406348     -190.06164     -190.06164     -193.91116     -78.841081     -297.43268      2.5597879      173.34125    
Loop time of 6.806e-06 on 1 procs for 0 steps with 978 atoms

264.5% 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   |            | 6.806e-06  |            |       |100.00

Nlocal:            978 ave         978 max         978 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6005 ave        6005 max        6005 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          38050 ave       38050 max       38050 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:        76100 ave       76100 max       76100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 76100
Ave neighs/atom = 77.811861
Neighbor list builds = 0
Dangerous builds = 0
978
-3280.5044430243 eV
2.55978793586823 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:12