LAMMPS (2 Aug 2023 - Update 1)
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 = 4.0800535 4.0800535 4.0800535
Created orthogonal box = (0 -50.302278 0) to (17.784541 50.302278 5.770067)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 6.5521992 5.2949766 5.770067
Created 304 atoms
  using lattice units in orthogonal box = (0 -50.302278 0) to (17.784541 50.302278 5.770067)
  create_atoms CPU = 0.001 seconds
304 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 6.5521992 5.2949766 5.770067
Created 306 atoms
  using lattice units in orthogonal box = (0 -50.302278 0) to (17.784541 50.302278 5.770067)
  create_atoms CPU = 0.000 seconds
306 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 = 9.8256185
  ghost atom cutoff = 9.8256185
  binsize = 4.9128093, bins = 4 21 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
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 4 atoms, new total = 606

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Your simulation uses code contributions which should be cited:
- OpenKIM Project: doi:10.1007/s11837-011-0102-6
- OpenKIM potential: https://openkim.org/cite/MO_870117231765_000#item-citation
The log file lists these citations in BibTeX format.

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Switching to 'neigh_modify every 1 delay 0 check yes' setting during minimization
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 = 9.8256185
  ghost atom cutoff = 9.8256185
  binsize = 4.9128093, bins = 4 21 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off
      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) = 4.95 | 4.95 | 4.95 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -2234.9115      0             -2234.9115      41015.211    
        98   0             -2375.7622      0             -2375.7622      1139.0998    
Loop time of 0.744537 on 1 procs for 98 steps with 606 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 = 
     -2234.91154175545  -2375.76006479308  -2375.76224084284
  Force two-norm initial, final = 325.66044 0.12709834
  Force max component initial, final = 111.67201 0.025977446
  Final line search alpha, max atom move = 1 0.025977446
  Iterations, force evaluations = 98 179

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.72451    | 0.72451    | 0.72451    |   0.0 | 97.31
Neigh   | 0.012647   | 0.012647   | 0.012647   |   0.0 |  1.70
Comm    | 0.0047686  | 0.0047686  | 0.0047686  |   0.0 |  0.64
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.002617   |            |       |  0.35

Nlocal:            606 ave         606 max         606 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6261 ave        6261 max        6261 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:       135984 ave      135984 max      135984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 135984
Ave neighs/atom = 224.39604
Neighbor list builds = 3
Dangerous builds = 0
Switching to 'neigh_modify every 1 delay 0 check yes' setting during minimization
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 = 9.8256185
  ghost atom cutoff = 9.8256185
  binsize = 4.9128093, bins = 4 21 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 98
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
 (src/min.cpp:225)
Per MPI rank memory allocation (min/avg/max) = 4.957 | 4.957 | 4.957 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
        98   0             -2375.7622      0             -2375.7622      1139.0998      10323.837    
       103   0             -2375.7923      0             -2375.7923     -225.90617      10332.262    
Loop time of 0.0373135 on 1 procs for 5 steps with 606 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 = 
     -2375.76224084284   -2375.7918218364  -2375.79234668621
  Force two-norm initial, final = 17.701039 3.6110184
  Force max component initial, final = 17.330183 2.568924
  Final line search alpha, max atom move = 0.00023689083 0.00060855455
  Iterations, force evaluations = 5 8

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.036318   | 0.036318   | 0.036318   |   0.0 | 97.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00022473 | 0.00022473 | 0.00022473 |   0.0 |  0.60
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0007705  |            |       |  2.07

Nlocal:            606 ave         606 max         606 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6261 ave        6261 max        6261 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:       136004 ave      136004 max      136004 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136004
Ave neighs/atom = 224.42904
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 = 9.8256185
  ghost atom cutoff = 9.8256185
  binsize = 4.9128093, bins = 4 21 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off
      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, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.095 | 5.095 | 5.095 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -2375.7923      0             -2375.7923     -225.90617    
Loop time of 1.152e-06 on 1 procs for 0 steps with 606 atoms

260.4% 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   |            | 1.152e-06  |            |       |100.00

Nlocal:            606 ave         606 max         606 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6261 ave        6261 max        6261 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:       135908 ave      135908 max      135908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 135908
Ave neighs/atom = 224.27063
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 = 9.8256185
  ghost atom cutoff = 9.8256185
  binsize = 4.9128093, bins = 4 21 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off
      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, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.095 | 5.095 | 5.095 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  -2375.7923     -2375.7923      17.759452      100.93877      5.7637855     -225.90617     -225.90617     -379.39762      99.596741     -397.91762      2.690196       572.68599    
Loop time of 7.61e-07 on 1 procs for 0 steps with 606 atoms

394.2% 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   |            | 7.61e-07   |            |       |100.00

Nlocal:            606 ave         606 max         606 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           6261 ave        6261 max        6261 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          67954 ave       67954 max       67954 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:       135908 ave      135908 max      135908 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 135908
Ave neighs/atom = 224.27063
Neighbor list builds = 0
Dangerous builds = 0
606
-2375.79234668621 eV
2.69019602121771 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:01