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 -47.4139 0) to (33.5241 47.4139 5.11238)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 6.23705 6.06411 5.11238
Created 694 atoms
  create_atoms CPU = 0.000378132 secs
694 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 6.23705 6.06411 5.11238
Created 694 atoms
  create_atoms CPU = 0.000281096 secs
694 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 = 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 6.42745
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 28 atoms, new total = 1360
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 = 11 30 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) = 5.064 | 5.064 | 5.064 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4755.9361            0   -4755.9361   -2904.9248 
      59            0   -4766.7771            0   -4766.7771     -8197.02 
Loop time of 0.23947 on 1 procs for 59 steps with 1360 atoms

96.0% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -4755.93606067     -4766.77316113     -4766.77711001
  Force two-norm initial, final = 5.89656 0.147227
  Force max component initial, final = 1.61772 0.0154417
  Final line search alpha, max atom move = 1 0.0154417
  Iterations, force evaluations = 59 106

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.23143    | 0.23143    | 0.23143    |   0.0 | 96.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0045924  | 0.0045924  | 0.0045924  |   0.0 |  1.92
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.003445   |            |       |  1.44

Nlocal:    1360 ave 1360 max 1360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    6582 ave 6582 max 6582 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:  116108 ave 116108 max 116108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116108
Ave neighs/atom = 85.3735
Neighbor list builds = 0
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  : 59
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 5.064 | 5.064 | 5.064 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      59            0   -4766.7771            0   -4766.7771     -8197.02    16252.366 
      65            0   -4766.9988            0   -4766.9988   -3450.2201     16197.61 
Loop time of 0.020292 on 1 procs for 6 steps with 1360 atoms

98.6% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -4766.77711001     -4766.99878442     -4766.99884696
  Force two-norm initial, final = 97.5574 0.238925
  Force max component initial, final = 96.7507 0.0257416
  Final line search alpha, max atom move = 0.000569349 1.46559e-05
  Iterations, force evaluations = 6 8

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.018893   | 0.018893   | 0.018893   |   0.0 | 93.11
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0003078  | 0.0003078  | 0.0003078  |   0.0 |  1.52
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.001091   |            |       |  5.38

Nlocal:    1360 ave 1360 max 1360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    6622 ave 6622 max 6622 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:  116896 ave 116896 max 116896 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116896
Ave neighs/atom = 85.9529
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 = 11 30 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) = 5.202 | 5.202 | 5.202 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4766.9988            0   -4766.9988   -3450.2201 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 1360 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:    1360 ave 1360 max 1360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    6622 ave 6622 max 6622 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:  116960 ave 116960 max 116960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116960
Ave neighs/atom = 86
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) = 5.202 | 5.202 | 5.202 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   -4766.9988   -4766.9988    33.567918    94.827801    5.0885126   -3450.2201   -3450.2201  -0.72785625    -10350.99    1.0577562    2.3783347    970.59097 
Loop time of 1.19209e-06 on 1 procs for 0 steps with 1360 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   |            | 1.192e-06  |            |       |100.00

Nlocal:    1360 ave 1360 max 1360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    6622 ave 6622 max 6622 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    58480 ave 58480 max 58480 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  116960 ave 116960 max 116960 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 116960
Ave neighs/atom = 86
Neighbor list builds = 0
Dangerous builds = 0
1360
-4766.9988469634 eV
2.3783346633764 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00