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 -42.033244 0) to (9.9073306 42.033244 5.72)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 6.6048871 7.0055406 5.72
Created 144 atoms
  using lattice units in orthogonal box = (0 -42.033244 0) to (9.9073306 42.033244 5.72)
  create_atoms CPU = 0.002 seconds
144 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 6.6048871 7.0055406 5.72
Created 152 atoms
  using lattice units in orthogonal box = (0 -42.033244 0) to (9.9073306 42.033244 5.72)
  create_atoms CPU = 0.002 seconds
152 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 = 3 25 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 = 288

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 = 3 25 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) = 4.436 | 4.436 | 4.436 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -967.14882      0             -967.14882      305.32806    
         4   0             -967.16361      0             -967.16361      308.71512    
Loop time of 0.216005 on 1 procs for 4 steps with 288 atoms

100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
     -967.148821483419  -967.162642108025   -967.16360676425
  Force two-norm initial, final = 0.30398531 0.062059501
  Force max component initial, final = 0.053737524 0.010880397
  Final line search alpha, max atom move = 1 0.010880397
  Iterations, force evaluations = 4 8

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.21497    | 0.21497    | 0.21497    |   0.0 | 99.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00049736 | 0.00049736 | 0.00049736 |   0.0 |  0.23
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0005369  |            |       |  0.25

Nlocal:            288 ave         288 max         288 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2299 ave        2299 max        2299 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:        22304 ave       22304 max       22304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 22304
Ave neighs/atom = 77.444444
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 = 3 25 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  : 4
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.436 | 4.436 | 4.436 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
         4   0             -967.16361      0             -967.16361      308.71512      4764.042     
         6   0             -967.16703      0             -967.16703      242.80122      4764.4351    
Loop time of 0.097664 on 1 procs for 2 steps with 288 atoms

100.2% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
     -967.163606764249  -967.166262012328  -967.167026000525
  Force two-norm initial, final = 3.9917115 1.4886133
  Force max component initial, final = 3.907046 1.3799104
  Final line search alpha, max atom move = 0.00065469645 0.00090342247
  Iterations, force evaluations = 2 3

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.096749   | 0.096749   | 0.096749   |   0.0 | 99.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00022825 | 0.00022825 | 0.00022825 |   0.0 |  0.23
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0006872  |            |       |  0.70

Nlocal:            288 ave         288 max         288 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2299 ave        2299 max        2299 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:        22304 ave       22304 max       22304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 22304
Ave neighs/atom = 77.444444
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 = 3 25 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) = 4.603 | 4.603 | 4.603 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0             -967.16703      0             -967.16703      242.80122    
Loop time of 6.364e-06 on 1 procs for 0 steps with 288 atoms

282.8% 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   |            | 6.364e-06  |            |       |100.00

Nlocal:            288 ave         288 max         288 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2299 ave        2299 max        2299 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:        22304 ave       22304 max       22304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 22304
Ave neighs/atom = 77.444444
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 = 3 25 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) = 4.603 | 4.603 | 4.603 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  -967.16703     -967.16703      9.9015445      84.171712      5.7166594      242.80122      242.80122      131.89439      464.61486      131.89439      2.8579662      130.76651    
Loop time of 6.135e-06 on 1 procs for 0 steps with 288 atoms

244.5% 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   |            | 6.135e-06  |            |       |100.00

Nlocal:            288 ave         288 max         288 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           2299 ave        2299 max        2299 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:          11152 ave       11152 max       11152 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:        22304 ave       22304 max       22304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 22304
Ave neighs/atom = 77.444444
Neighbor list builds = 0
Dangerous builds = 0
288
-967.167026000525 eV
2.85796619804591 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00