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 -45.76 0) to (5.72 45.76 4.0446508)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.72 5.72 4.0446508
Created 64 atoms
  using lattice units in orthogonal box = (0 -45.76 0) to (5.72 45.76 4.0446508)
  create_atoms CPU = 0.001 seconds
64 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.72 5.72 4.0446508
Created 66 atoms
  using lattice units in orthogonal box = (0 -45.76 0) to (5.72 45.76 4.0446508)
  create_atoms CPU = 0.001 seconds
66 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 27 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 = 128

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 27 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) = 4.395 | 4.395 | 4.395 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -430.08         0             -430.08        -0.00035483941
         1   0             -430.08         0             -430.08        -0.00035483939
Loop time of 0.0359445 on 1 procs for 1 steps with 128 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 = 
     -430.080000016137  -430.080000016137  -430.080000016137
  Force two-norm initial, final = 3.8443275e-08 1.1288143e-08
  Force max component initial, final = 1.6741502e-08 4.46862e-09
  Final line search alpha, max atom move = 1 4.46862e-09
  Iterations, force evaluations = 1 2

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.035572   | 0.035572   | 0.035572   |   0.0 | 98.96
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00014379 | 0.00014379 | 0.00014379 |   0.0 |  0.40
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0002291  |            |       |  0.64

Nlocal:            128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1988 ave        1988 max        1988 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:         9984 ave        9984 max        9984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 9984
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 27 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) = 4.395 | 4.395 | 4.395 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
         1   0             -430.08         0             -430.08        -0.00035483938  2117.352     
         2   0             -430.08         0             -430.08         1.4027816e-06  2117.352     
Loop time of 0.0363544 on 1 procs for 1 steps with 128 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 = 
     -430.080000016137  -430.080000016137  -430.080000016135
  Force two-norm initial, final = 8.1435694e-07 4.4510408e-08
  Force max component initial, final = 5.1601442e-07 3.3156002e-08
  Final line search alpha, max atom move = 1 3.3156002e-08
  Iterations, force evaluations = 1 2

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.035803   | 0.035803   | 0.035803   |   0.0 | 98.48
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0001339  | 0.0001339  | 0.0001339  |   0.0 |  0.37
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0004173  |            |       |  1.15

Nlocal:            128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1988 ave        1988 max        1988 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:         9984 ave        9984 max        9984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 9984
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 27 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) = 4.557 | 4.557 | 4.557 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -430.08         0             -430.08         1.4027894e-06
Loop time of 9.361e-06 on 1 procs for 0 steps with 128 atoms

138.9% 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   |            | 9.361e-06  |            |       |100.00

Nlocal:            128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1988 ave        1988 max        1988 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:         9984 ave        9984 max        9984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 9984
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 27 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) = 4.557 | 4.557 | 4.557 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  -430.08        -430.08         5.72           91.52          4.0446508      1.4027894e-06  1.4027894e-06  1.5862852e-05 -2.5088767e-05  1.3434283e-05  2.86           8.4027461e-17
Loop time of 6.605e-06 on 1 procs for 0 steps with 128 atoms

227.1% 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   |            | 6.605e-06  |            |       |100.00

Nlocal:            128 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1988 ave        1988 max        1988 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:           4992 ave        4992 max        4992 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:         9984 ave        9984 max        9984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 9984
Ave neighs/atom = 78
Neighbor list builds = 0
Dangerous builds = 0
128
-430.080000016134 eV
2.85999999220265 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00