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 = 4.0612135 4.0612135 4.0612135
Created orthogonal box = (0.0000000 -73.101843 0.0000000) to (51.690809 73.101843 5.7434232)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 7.0197394 6.7686891 5.7434232
Created 1296 atoms
  using lattice units in orthogonal box = (0.0000000 -73.101843 0.0000000) to (51.690809 73.101843 5.7434232)
  create_atoms CPU = 0.010 seconds
1296 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 7.0197394 6.7686891 5.7434232
Created 1300 atoms
  using lattice units in orthogonal box = (0.0000000 -73.101843 0.0000000) to (51.690809 73.101843 5.7434232)
  create_atoms CPU = 0.010 seconds
1300 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 = 9.80032
  ghost atom cutoff = 9.80032
  binsize = 4.90016, bins = 11 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 9.80032
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 0 atoms, new total = 2596

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_411898953661_004#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 = 9.80032
  ghost atom cutoff = 9.80032
  binsize = 4.90016, bins = 11 30 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 9.80032
      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) = 10.84 | 10.84 | 10.84 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0    -6768.892            0    -6768.892    12181.469 
     134            0    -6989.762            0    -6989.762    3177.4944 
Loop time of 19.74 on 1 procs for 134 steps with 2596 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 = 
     -6768.89201999683  -6989.75520378644  -6989.76198237865
  Force two-norm initial, final = 214.76336 0.25787281
  Force max component initial, final = 61.378642 0.020145517
  Final line search alpha, max atom move = 1.0000000 0.020145517
  Iterations, force evaluations = 134 260

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.491     | 19.491     | 19.491     |   0.0 | 98.74
Neigh   | 0.078696   | 0.078696   | 0.078696   |   0.0 |  0.40
Comm    | 0.093946   | 0.093946   | 0.093946   |   0.0 |  0.48
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.07616    |            |       |  0.39

Nlocal:        2596.00 ave        2596 max        2596 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        15645.0 ave       15645 max       15645 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:      585464.0 ave      585464 max      585464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 585464
Ave neighs/atom = 225.52542
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 = 9.80032
  ghost atom cutoff = 9.80032
  binsize = 4.90016, bins = 11 30 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 9.80032
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 134
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 10.84 | 10.84 | 10.84 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     134            0    -6989.762            0    -6989.762    3177.4944     43405.27 
     139            0   -6990.0895            0   -6990.0895   0.18553939    43588.267 
Loop time of 0.604306 on 1 procs for 5 steps with 2596 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 = 
     -6989.76198237866   -6990.0893273926  -6990.08952549034
  Force two-norm initial, final = 180.75273 0.29213340
  Force max component initial, final = 168.02804 0.072704801
  Final line search alpha, max atom move = 0.00027136755 1.9729724e-05
  Iterations, force evaluations = 5 7

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.59274    | 0.59274    | 0.59274    |   0.0 | 98.09
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0028206  | 0.0028206  | 0.0028206  |   0.0 |  0.47
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.008742   |            |       |  1.45

Nlocal:        2596.00 ave        2596 max        2596 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        15692.0 ave       15692 max       15692 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:      588128.0 ave      588128 max      588128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 588128
Ave neighs/atom = 226.55162
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 = 9.80032
  ghost atom cutoff = 9.80032
  binsize = 4.90016, bins = 11 30 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 9.80032
      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) = 10.36 | 10.36 | 10.36 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -6990.0895            0   -6990.0895   0.18553939 
Loop time of 6.876e-06 on 1 procs for 0 steps with 2596 atoms

189.1% 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   |            | 6.876e-06  |            |       |100.00

Nlocal:        2596.00 ave        2596 max        2596 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        15629.0 ave       15629 max       15629 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:      587520.0 ave      587520 max      587520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 587520
Ave neighs/atom = 226.31741
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 = 9.80032
  ghost atom cutoff = 9.80032
  binsize = 4.90016, bins = 11 30 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 9.80032
      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) = 10.36 | 10.36 | 10.36 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   -6990.0895   -6990.0895    51.882765    146.18369    5.7470844   0.18553939   0.18553939   -1.5986979  -0.51880219    2.6741182    2.6971514    2237.9851 
Loop time of 7.007e-06 on 1 procs for 0 steps with 2596 atoms

299.7% 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   |            | 7.007e-06  |            |       |100.00

Nlocal:        2596.00 ave        2596 max        2596 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        15629.0 ave       15629 max       15629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        293760.0 ave      293760 max      293760 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      587520.0 ave      587520 max      587520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 587520
Ave neighs/atom = 226.31741
Neighbor list builds = 0
Dangerous builds = 0
2596
-6990.08952549034 eV
2.69715138215155 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:21