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 = 3.615 3.615 3.615
Created orthogonal box = (0 -38.6013 0) to (27.2927 38.6013 5.11238)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 6.22464 6.09436 5.11238
Created 458 atoms
  create_atoms CPU = 0.000524044 secs
458 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 6.22464 6.09436 5.11238
Created 458 atoms
  create_atoms CPU = 0.000311136 secs
458 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 = 6.42745
  ghost atom cutoff = 6.42745
  binsize = 3.21373, bins = 9 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 6.42745
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 12 atoms, new total = 904
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 = 6.42745
  ghost atom cutoff = 6.42745
  binsize = 3.21373, bins = 9 25 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.42745
      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) = 4.579 | 4.579 | 4.579 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3149.6553            0   -3149.6553     1790.093 
      62            0   -3165.5282            0   -3165.5282   -1851.5083 
Loop time of 0.17294 on 1 procs for 62 steps with 904 atoms

98.3% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -3149.65529891     -3165.52586767     -3165.52815173
  Force two-norm initial, final = 13.2662 0.119393
  Force max component initial, final = 3.30541 0.0242584
  Final line search alpha, max atom move = 1 0.0242584
  Iterations, force evaluations = 62 106

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.1651     | 0.1651     | 0.1651     |   0.0 | 95.47
Neigh   | 0.00212    | 0.00212    | 0.00212    |   0.0 |  1.23
Comm    | 0.0033333  | 0.0033333  | 0.0033333  |   0.0 |  1.93
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.002387   |            |       |  1.38

Nlocal:    904 ave 904 max 904 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4926 ave 4926 max 4926 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:  77464 ave 77464 max 77464 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 77464
Ave neighs/atom = 85.6903
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) = 4.58 | 4.58 | 4.58 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      62            0   -3165.5282            0   -3165.5282   -1851.5083    10772.104 
      66            0   -3165.5811            0   -3165.5811   -666.66652    10763.072 
Loop time of 0.0135541 on 1 procs for 4 steps with 904 atoms

147.6% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -3165.52815173     -3165.58104557     -3165.58106446
  Force two-norm initial, final = 32.7869 0.165119
  Force max component initial, final = 29.9215 0.0239673
  Final line search alpha, max atom move = 0.00139214 3.33658e-05
  Iterations, force evaluations = 4 6

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.012586   | 0.012586   | 0.012586   |   0.0 | 92.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00019741 | 0.00019741 | 0.00019741 |   0.0 |  1.46
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0007708  |            |       |  5.69

Nlocal:    904 ave 904 max 904 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4926 ave 4926 max 4926 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:  77696 ave 77696 max 77696 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 77696
Ave neighs/atom = 85.9469
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 = 6.42745
  ghost atom cutoff = 6.42745
  binsize = 3.21373, bins = 9 25 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.42745
      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) = 4.718 | 4.718 | 4.718 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3165.5811            0   -3165.5811   -666.66652 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 904 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:    904 ave 904 max 904 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4926 ave 4926 max 4926 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:  77676 ave 77676 max 77676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 77676
Ave neighs/atom = 85.9248
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) = 4.718 | 4.718 | 4.718 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   -3165.5811   -3165.5811    27.343168    77.202514    5.0986593   -666.66652   -666.66652    1.6959854   -2004.0773    2.3817569    2.3474438    730.94292 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 904 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:    904 ave 904 max 904 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4926 ave 4926 max 4926 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    38838 ave 38838 max 38838 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  77676 ave 77676 max 77676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 77676
Ave neighs/atom = 85.9248
Neighbor list builds = 0
Dangerous builds = 0
904
-3165.58106445511 eV
2.34744384999216 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00