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 -50.029567 0) to (16.676522 50.029567 4.0446508)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.9048595 4.9048595 4.0446508
Created 204 atoms
  using lattice units in orthogonal box = (0 -50.029567 0) to (16.676522 50.029567 4.0446508)
  create_atoms CPU = 0.001 seconds
204 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.9048595 4.9048595 4.0446508
Created 206 atoms
  using lattice units in orthogonal box = (0 -50.029567 0) to (16.676522 50.029567 4.0446508)
  create_atoms CPU = 0.001 seconds
206 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 30 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 = 408

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 30 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) = 4.45 | 4.45 | 4.45 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -1161.2797      0             -1161.2797      53449.014    
        66   0             -1365.8701      0             -1365.8701      4504.1624    
Loop time of 4.27024 on 1 procs for 66 steps with 408 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 = 
     -1161.27974790443  -1365.86877994312  -1365.87006855425
  Force two-norm initial, final = 339.74144 0.072974085
  Force max component initial, final = 118.30917 0.010177607
  Final line search alpha, max atom move = 1 0.010177607
  Iterations, force evaluations = 66 111

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 4.2429     | 4.2429     | 4.2429     |   0.0 | 99.36
Neigh   | 0.010248   | 0.010248   | 0.010248   |   0.0 |  0.24
Comm    | 0.0085969  | 0.0085969  | 0.0085969  |   0.0 |  0.20
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.008539   |            |       |  0.20

Nlocal:            408 ave         408 max         408 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2956 ave        2956 max        2956 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:        31624 ave       31624 max       31624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 31624
Ave neighs/atom = 77.509804
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 = 5 30 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  : 66
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.45 | 4.45 | 4.45 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
        66   0             -1365.8701      0             -1365.8701      4504.1624      6749.0596    
        77   0             -1366.0382      0             -1366.0382     -38.870191      6787.3011    
Loop time of 0.489889 on 1 procs for 11 steps with 408 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 = 
     -1365.87006855425  -1366.03811855461  -1366.03815643555
  Force two-norm initial, final = 40.083905 0.37929875
  Force max component initial, final = 37.561569 0.26717533
  Final line search alpha, max atom move = 0.0045870432 0.0012255448
  Iterations, force evaluations = 11 12

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.48031    | 0.48031    | 0.48031    |   0.0 | 98.04
Neigh   | 0.0051951  | 0.0051951  | 0.0051951  |   0.0 |  1.06
Comm    | 0.0011126  | 0.0011126  | 0.0011126  |   0.0 |  0.23
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.003271   |            |       |  0.67

Nlocal:            408 ave         408 max         408 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2964 ave        2964 max        2964 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:        31632 ave       31632 max       31632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 31632
Ave neighs/atom = 77.529412
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 = 5 30 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) = 4.626 | 4.626 | 4.626 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -1366.0382      0             -1366.0382     -38.870191    
Loop time of 6.184e-06 on 1 procs for 0 steps with 408 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   |            | 6.184e-06  |            |       |100.00

Nlocal:            408 ave         408 max         408 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2964 ave        2964 max        2964 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:        31648 ave       31648 max       31648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 31648
Ave neighs/atom = 77.568627
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 30 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) = 4.626 | 4.626 | 4.626 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  -1366.0382     -1366.0382      16.656756      101.07529      4.0314538     -38.870191     -38.870191     -32.63089      -63.70857      -20.271113      2.6321257      237.00801    
Loop time of 6.795e-06 on 1 procs for 0 steps with 408 atoms

279.6% 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   |            | 6.795e-06  |            |       |100.00

Nlocal:            408 ave         408 max         408 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2964 ave        2964 max        2964 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          15824 ave       15824 max       15824 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:        31648 ave       31648 max       31648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 31648
Ave neighs/atom = 77.568627
Neighbor list builds = 0
Dangerous builds = 0
408
-1366.03815643555 eV
2.63212574756883 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:05