LAMMPS (30 Jul 2021)
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 = 3.4986963 3.4986963 3.4986963
Created orthogonal box = (0.0000000 -56.850586 0.0000000) to (20.098480 56.850586 4.9479038)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.4814037 6.0292365 4.9479038
Created 530 atoms
  using lattice units in orthogonal box = (0.0000000 -56.850586 0.0000000) to (20.098480 56.850586 4.9479038)
  create_atoms CPU = 0.005 seconds
530 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.4814037 6.0292365 4.9479038
Created 530 atoms
  using lattice units in orthogonal box = (0.0000000 -56.850586 0.0000000) to (20.098480 56.850586 4.9479038)
  create_atoms CPU = 0.005 seconds
530 atoms in group lower
Displacing atoms ...
System init for delete_atoms ...
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 6 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 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 4 atoms, new total = 1056

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_715003088863_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

WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:189)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 6 30 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      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) = 5.066 | 5.066 | 5.066 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4299.7467            0   -4299.7467    13636.417 
      43            0   -4338.1464            0   -4338.1464    1787.7212 
Loop time of 1.72191 on 1 procs for 43 steps with 1056 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 = 
      -4299.7466652357  -4338.14338026502  -4338.14635022103
  Force two-norm initial, final = 47.781699 0.26337300
  Force max component initial, final = 13.275778 0.035790703
  Final line search alpha, max atom move = 1.0000000 0.035790703
  Iterations, force evaluations = 43 80

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.6696     | 1.6696     | 1.6696     |   0.0 | 96.96
Neigh   | 0.025908   | 0.025908   | 0.025908   |   0.0 |  1.50
Comm    | 0.014793   | 0.014793   | 0.014793   |   0.0 |  0.86
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.01158    |            |       |  0.67

Nlocal:        1056.00 ave        1056 max        1056 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        7914.00 ave        7914 max        7914 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      184732.0 ave      184732 max      184732 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 184732
Ave neighs/atom = 174.93561
Neighbor list builds = 1
Dangerous builds = 0
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:189)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 6 30 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 43
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 5.066 | 5.066 | 5.066 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      43            0   -4338.1464            0   -4338.1464    1787.7212    11307.052 
      44            0   -4338.1472            0   -4338.1472    1317.0325    11311.536 
Loop time of 0.0641757 on 1 procs for 1 steps with 1056 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 = 
     -4338.14635022104  -4338.14635022104  -4338.14719794611
  Force two-norm initial, final = 6.0360682 0.39962295
  Force max component initial, final = 4.7819158 0.26718329
  Final line search alpha, max atom move = 0.00020912121 5.5873691e-05
  Iterations, force evaluations = 1 2

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.062369   | 0.062369   | 0.062369   |   0.0 | 97.18
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00048081 | 0.00048081 | 0.00048081 |   0.0 |  0.75
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.001326   |            |       |  2.07

Nlocal:        1056.00 ave        1056 max        1056 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        7914.00 ave        7914 max        7914 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      184640.0 ave      184640 max      184640 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 184640
Ave neighs/atom = 174.84848
Neighbor list builds = 0
Dangerous builds = 0
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 6 30 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      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) = 5.204 | 5.204 | 5.204 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4338.1472            0   -4338.1472    1317.0325 
Loop time of 6.385e-06 on 1 procs for 0 steps with 1056 atoms

187.9% 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   |            | 6.385e-06  |            |       |100.00

Nlocal:        1056.00 ave        1056 max        1056 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        7914.00 ave        7914 max        7914 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      184632.0 ave      184632 max      184632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 184632
Ave neighs/atom = 174.84091
Neighbor list builds = 0
Dangerous builds = 0
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 6 30 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      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) = 5.204 | 5.204 | 5.204 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   -4338.1472   -4338.1472    20.101943    113.70117    4.9490133    1317.0325    1317.0325   -37.850608    3969.4265    19.521589    2.2741204    334.86631 
Loop time of 7.067e-06 on 1 procs for 0 steps with 1056 atoms

283.0% 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   |            | 7.067e-06  |            |       |100.00

Nlocal:        1056.00 ave        1056 max        1056 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        7914.00 ave        7914 max        7914 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        92316.0 ave       92316 max       92316 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      184632.0 ave      184632 max      184632 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 184632
Ave neighs/atom = 174.84091
Neighbor list builds = 0
Dangerous builds = 0
1056
-4338.14719794611 eV
2.27412042772421 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:02