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 = 3.1707 3.1707 3.1707
Created orthogonal box = (0 -32.954 0) to (23.2998 32.954 4.48405)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.17773 4.27141 4.48405
Created 218 atoms
  create_atoms CPU = 0.000230074 secs
218 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.17773 4.27141 4.48405
Created 218 atoms
  create_atoms CPU = 0.000100136 secs
218 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 = 6.6
  ghost atom cutoff = 6.6
  binsize = 3.3, bins = 8 20 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 6.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 8 atoms, new total = 428
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 = 6.6
  ghost atom cutoff = 6.6
  binsize = 3.3, bins = 8 20 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.6
      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) = 4.443 | 4.443 | 4.443 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4599.1965            0   -4599.1965    4308.8151 
      14            0   -4614.3874            0   -4614.3874   -7593.3396 
Loop time of 2.89367 on 1 procs for 14 steps with 428 atoms

54.6% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -4599.19648256     -4614.38484804     -4614.38741515
  Force two-norm initial, final = 19.9237 0.152863
  Force max component initial, final = 4.87514 0.0206009
  Final line search alpha, max atom move = 1 0.0206009
  Iterations, force evaluations = 14 21

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.893      | 2.893      | 2.893      |   0.0 | 99.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00042033 | 0.00042033 | 0.00042033 |   0.0 |  0.01
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0002947  |            |       |  0.01

Nlocal:    428 ave 428 max 428 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    2764 ave 2764 max 2764 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:  27568 ave 27568 max 27568 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 27568
Ave neighs/atom = 64.4112
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  : 14
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.443 | 4.443 | 4.443 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      14            0   -4614.3874            0   -4614.3874   -7593.3396    6885.9019 
      17            0   -4614.4268            0   -4614.4268   -1678.2857    6870.4555 
Loop time of 0.617555 on 1 procs for 3 steps with 428 atoms

68.0% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -4614.38741515     -4614.42553555     -4614.42684882
  Force two-norm initial, final = 43.3998 0.179154
  Force max component initial, final = 37.1207 0.0300897
  Final line search alpha, max atom move = 0.000191363 5.75805e-06
  Iterations, force evaluations = 3 5

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.61713    | 0.61713    | 0.61713    |   0.0 | 99.93
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 9.8944e-05 | 9.8944e-05 | 9.8944e-05 |   0.0 |  0.02
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.000329   |            |       |  0.05

Nlocal:    428 ave 428 max 428 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    2764 ave 2764 max 2764 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:  27520 ave 27520 max 27520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 27520
Ave neighs/atom = 64.2991
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 = 6.6
  ghost atom cutoff = 6.6
  binsize = 3.3, bins = 8 20 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6.6
      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) = 4.581 | 4.581 | 4.581 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4614.4268            0   -4614.4268   -1678.2857 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 428 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:    428 ave 428 max 428 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    2764 ave 2764 max 2764 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:  27520 ave 27520 max 27520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 27520
Ave neighs/atom = 64.2991
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) = 4.581 | 4.581 | 4.581 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   -4614.4268   -4614.4268    23.254658    65.908095    4.4826704   -1678.2857   -1678.2857   -2.3457048   -5031.8748  -0.63668998    2.5080012     447.9898 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 428 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:    428 ave 428 max 428 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    2764 ave 2764 max 2764 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    13760 ave 13760 max 13760 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  27520 ave 27520 max 27520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 27520
Ave neighs/atom = 64.2991
Neighbor list builds = 0
Dangerous builds = 0
428
-1308.46040525801 eV
2.50800123822444 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:04