LAMMPS (7 Aug 2019)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:93)
  using 1 OpenMP thread(s) per MPI task
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:93)
  using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.52733 3.52733 3.52733
Created orthogonal box = (0 -51.8445 0) to (18.3285 51.8445 4.9884)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.75184 5.7601 4.9884
Created 434 atoms
  create_atoms CPU = 0.000399113 secs
434 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.75184 5.7601 4.9884
Created 434 atoms
  create_atoms CPU = 0.000266075 secs
434 atoms in group lower
Displacing atoms ...
WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:979)
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 = 10.1329
  ghost atom cutoff = 10.1329
  binsize = 5.06647, bins = 4 21 1
  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 10.1329
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 12 atoms, new total = 856
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 10.1329
  ghost atom cutoff = 10.1329
  binsize = 5.06647, bins = 4 21 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.1329
      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) = 5.867 | 5.867 | 5.867 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3521.5464            0   -3521.5464    10705.564 
      62            0   -3568.0646            0   -3568.0646   -9498.4141 
Loop time of 0.819867 on 1 procs for 62 steps with 856 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 = 
        -3521.54644541     -3568.06167284     -3568.06458053
  Force two-norm initial, final = 58.0298 0.221019
  Force max component initial, final = 17.1558 0.0344575
  Final line search alpha, max atom move = 1 0.0344575
  Iterations, force evaluations = 62 114

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.80242    | 0.80242    | 0.80242    |   0.0 | 97.87
Neigh   | 0.005852   | 0.005852   | 0.005852   |   0.0 |  0.71
Comm    | 0.0083244  | 0.0083244  | 0.0083244  |   0.0 |  1.02
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.003267   |            |       |  0.40

Nlocal:    856 ave 856 max 856 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    10382 ave 10382 max 10382 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:  325032 ave 325032 max 325032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 325032
Ave neighs/atom = 379.71
Neighbor list builds = 1
Dangerous builds = 0
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:168)
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 62
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 5.867 | 5.867 | 5.867 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      62            0   -3568.0646            0   -3568.0646   -9498.4141    9480.2842 
      70            0   -3568.3625            0   -3568.3625   -836.32506     9434.935 
Loop time of 0.068418 on 1 procs for 8 steps with 856 atoms

102.3% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -3568.06458053     -3568.36244885     -3568.36246367
  Force two-norm initial, final = 90.3108 0.748498
  Force max component initial, final = 89.2426 0.494803
  Final line search alpha, max atom move = 0.00477093 0.00236067
  Iterations, force evaluations = 8 9

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.066323   | 0.066323   | 0.066323   |   0.0 | 96.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00056171 | 0.00056171 | 0.00056171 |   0.0 |  0.82
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.001534   |            |       |  2.24

Nlocal:    856 ave 856 max 856 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    10446 ave 10446 max 10446 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:  324744 ave 324744 max 324744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 324744
Ave neighs/atom = 379.374
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 = 10.1329
  ghost atom cutoff = 10.1329
  binsize = 5.06647, bins = 4 21 1
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 10.1329
      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) = 6.005 | 6.005 | 6.005 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3568.3625            0   -3568.3625   -836.32506 
Loop time of 1.90735e-06 on 1 procs for 0 steps with 856 atoms

0.0% 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   |            | 1.907e-06  |            |       |100.00

Nlocal:    856 ave 856 max 856 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    10476 ave 10476 max 10476 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:  325260 ave 325260 max 325260 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 325260
Ave neighs/atom = 379.977
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) = 6.005 | 6.005 | 6.005 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   -3568.3625   -3568.3625    18.199786    103.68894    4.9996568   -836.32506   -836.32506    63.957382   -2657.1463    84.213742    2.2538666    481.90559 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 856 atoms

0.0% 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   |            | 9.537e-07  |            |       |100.00

Nlocal:    856 ave 856 max 856 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    10476 ave 10476 max 10476 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    162630 ave 162630 max 162630 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  325260 ave 325260 max 325260 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 325260
Ave neighs/atom = 379.977
Neighbor list builds = 0
Dangerous builds = 0
856
-3568.36246366706 eV
2.25386659036822 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:01