LAMMPS (19 Mar 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.52 3.52 3.52
Created orthogonal box = (0 -37.9151 0) to (18.9558 37.9151 3.52)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.57553 4.57553 3.52
Created 234 atoms
  create_atoms CPU = 0.000205994 secs
234 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.57553 4.57553 3.52
Created 234 atoms
  create_atoms CPU = 0.000125885 secs
234 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 = 6.84
  ghost atom cutoff = 6.84
  binsize = 3.42, bins = 6 23 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 6.84
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 12 atoms, new total = 456
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:190)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.84
  ghost atom cutoff = 6.84
  binsize = 3.42, bins = 6 23 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.84
      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) = 4.469 | 4.469 | 4.469 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2012.6923            0   -2012.6923   -3800.8106 
      44            0   -2018.7357            0   -2018.7357   -12832.428 
Loop time of 0.101647 on 1 procs for 44 steps with 456 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 = 
        -2012.69231424     -2018.73413984     -2018.73571589
  Force two-norm initial, final = 11.3392 0.138179
  Force max component initial, final = 3.70648 0.0292569
  Final line search alpha, max atom move = 1 0.0292569
  Iterations, force evaluations = 44 83

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.09782    | 0.09782    | 0.09782    |   0.0 | 96.23
Neigh   | 0.0012729  | 0.0012729  | 0.0012729  |   0.0 |  1.25
Comm    | 0.0017147  | 0.0017147  | 0.0017147  |   0.0 |  1.69
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0008395  |            |       |  0.83

Nlocal:    456 ave 456 max 456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    3722 ave 3722 max 3722 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:  59976 ave 59976 max 59976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 59976
Ave neighs/atom = 131.526
Neighbor list builds = 1
Dangerous builds = 0
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:190)
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 44
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.469 | 4.469 | 4.469 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      44            0   -2018.7357            0   -2018.7357   -12832.428    5059.7178 
      49            0   -2018.8573            0   -2018.8573   -2017.3155    5028.6195 
Loop time of 0.00803208 on 1 procs for 5 steps with 456 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 = 
        -2018.73571589     -2018.85608611     -2018.85730921
  Force two-norm initial, final = 54.6068 0.196173
  Force max component initial, final = 40.6697 0.0576156
  Final line search alpha, max atom move = 0.000346055 1.99382e-05
  Iterations, force evaluations = 5 7

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.0075123  | 0.0075123  | 0.0075123  |   0.0 | 93.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00012541 | 0.00012541 | 0.00012541 |   0.0 |  1.56
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0003943  |            |       |  4.91

Nlocal:    456 ave 456 max 456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    3715 ave 3715 max 3715 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:  59896 ave 59896 max 59896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 59896
Ave neighs/atom = 131.351
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 = 6.84
  ghost atom cutoff = 6.84
  binsize = 3.42, bins = 6 23 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.84
      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/newton
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.607 | 4.607 | 4.607 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2018.8573            0   -2018.8573   -2017.3155 
Loop time of 1.19209e-06 on 1 procs for 0 steps with 456 atoms

167.8% 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   |            | 1.192e-06  |            |       |100.00

Nlocal:    456 ave 456 max 456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    3719 ave 3719 max 3719 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:  59924 ave 59924 max 59924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 59924
Ave neighs/atom = 131.412
Neighbor list builds = 0
Dangerous builds = 0
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.607 | 4.607 | 4.607 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   -2018.8573   -2018.8573    18.918997     75.83016    3.5051668   -2017.3155   -2017.3155   -5.5487029   -6048.2668    1.8688894    2.2162791    324.36246 
Loop time of 1.19209e-06 on 1 procs for 0 steps with 456 atoms

167.8% 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   |            | 1.192e-06  |            |       |100.00

Nlocal:    456 ave 456 max 456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    3719 ave 3719 max 3719 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    29962 ave 29962 max 29962 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  59924 ave 59924 max 59924 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 59924
Ave neighs/atom = 131.412
Neighbor list builds = 0
Dangerous builds = 0
456
-2018.85730921314 eV
2.21627909312152 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00