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 -72.803714 0) to (51.48 72.803714 5.72)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 6.9911111 6.7410846 5.72
Created 1294 atoms
  using lattice units in orthogonal box = (0 -72.803714 0) to (51.48 72.803714 5.72)
  create_atoms CPU = 0.011 seconds
1294 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 6.9911111 6.7410846 5.72
Created 1298 atoms
  using lattice units in orthogonal box = (0 -72.803714 0) to (51.48 72.803714 5.72)
  create_atoms CPU = 0.010 seconds
1298 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 = 16 43 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 8 atoms, new total = 2584

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 = 16 43 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) = 5.701 | 5.701 | 5.701 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -8373.2573      0             -8373.2573      15956.875    
        81   0             -8665.9425      0             -8665.9425      98.202876    
Loop time of 29.1961 on 1 procs for 81 steps with 2584 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 = 
     -8373.25727186957  -8665.93444819909  -8665.94245264755
  Force two-norm initial, final = 323.32503 0.21073254
  Force max component initial, final = 54.732982 0.019898645
  Final line search alpha, max atom move = 1 0.019898645
  Iterations, force evaluations = 81 139

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 29.058     | 29.058     | 29.058     |   0.0 | 99.53
Neigh   | 0.065775   | 0.065775   | 0.065775   |   0.0 |  0.23
Comm    | 0.033364   | 0.033364   | 0.033364   |   0.0 |  0.11
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.03851    |            |       |  0.13

Nlocal:           2584 ave        2584 max        2584 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           9287 ave        9287 max        9287 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:       200632 ave      200632 max      200632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 200632
Ave neighs/atom = 77.643963
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 = 16 43 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  : 81
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 5.708 | 5.708 | 5.708 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
        81   0             -8665.9425      0             -8665.9425      98.202876      42876.378    
        83   0             -8665.9669      0             -8665.9669      167.57935      42872.716    
Loop time of 0.810748 on 1 procs for 2 steps with 2584 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 = 
     -8665.94245264755  -8665.96417733745  -8665.96694863306
  Force two-norm initial, final = 29.248788 9.0364899
  Force max component initial, final = 26.215327 8.2415247
  Final line search alpha, max atom move = 0.00011728943 0.00096664372
  Iterations, force evaluations = 2 3

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.80679    | 0.80679    | 0.80679    |   0.0 | 99.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00085707 | 0.00085707 | 0.00085707 |   0.0 |  0.11
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.003105   |            |       |  0.38

Nlocal:           2584 ave        2584 max        2584 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           9897 ave        9897 max        9897 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:       200416 ave      200416 max      200416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 200416
Ave neighs/atom = 77.560372
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 = 16 43 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) = 5.971 | 5.971 | 5.971 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -8665.9669      0             -8665.9669      167.57935    
Loop time of 6.305e-06 on 1 procs for 0 steps with 2584 atoms

237.9% 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   |            | 6.305e-06  |            |       |100.00

Nlocal:           2584 ave        2584 max        2584 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           9897 ave        9897 max        9897 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:       200404 ave      200404 max      200404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 200404
Ave neighs/atom = 77.555728
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 = 16 43 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) = 5.971 | 5.971 | 5.971 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  -8665.9669     -8665.9669      51.448825      145.77922      5.7162329      167.57935      167.57935      107.22547      308.3536       87.158962      2.6944985      1523.0947    
Loop time of 7.256e-06 on 1 procs for 0 steps with 2584 atoms

261.9% 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   |            | 7.256e-06  |            |       |100.00

Nlocal:           2584 ave        2584 max        2584 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           9897 ave        9897 max        9897 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         100202 ave      100202 max      100202 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       200404 ave      200404 max      200404 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 200404
Ave neighs/atom = 77.555728
Neighbor list builds = 0
Dangerous builds = 0
2584
-8665.96694863306 eV
2.69449853278011 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:31