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 = 2.85532 2.85532 2.85532
Created orthogonal box = (0 -31.9264 0) to (15.6393 31.9264 6.99409)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.17047 3.83082 4.66273
Created 306 atoms
  create_atoms CPU = 0.000168085 secs
306 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.17047 3.83082 4.66273
Created 306 atoms
  create_atoms CPU = 6.91414e-05 secs
306 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 = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 5 17 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 7.6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 24 atoms, new total = 588
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 = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 5 17 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      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) = 4.549 | 4.549 | 4.549 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2399.3541            0   -2399.3541    -5720.065 
      28            0   -2408.5113            0   -2408.5113   -19734.667 
Loop time of 0.0748599 on 1 procs for 28 steps with 588 atoms

106.9% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -2399.35413463     -2408.50946712     -2408.51130437
  Force two-norm initial, final = 7.88942 0.132067
  Force max component initial, final = 1.38871 0.0106253
  Final line search alpha, max atom move = 1 0.0106253
  Iterations, force evaluations = 28 51

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.072949   | 0.072949   | 0.072949   |   0.0 | 97.45
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0011749  | 0.0011749  | 0.0011749  |   0.0 |  1.57
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0007355  |            |       |  0.98

Nlocal:    588 ave 588 max 588 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4128 ave 4128 max 4128 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:  96408 ave 96408 max 96408 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 96408
Ave neighs/atom = 163.959
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  : 28
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.549 | 4.549 | 4.549 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      28            0   -2408.5113            0   -2408.5113   -19734.667    6984.3593 
      34            0   -2408.8795            0   -2408.8795   -4110.4295    6919.3301 
Loop time of 0.013299 on 1 procs for 6 steps with 588 atoms

150.4% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -2408.51130437     -2408.87905522     -2408.87947894
  Force two-norm initial, final = 111.244 0.358721
  Force max component initial, final = 80.1249 0.0473128
  Final line search alpha, max atom move = 0.000540837 2.55885e-05
  Iterations, force evaluations = 6 8

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.012598   | 0.012598   | 0.012598   |   0.0 | 94.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00016975 | 0.00016975 | 0.00016975 |   0.0 |  1.28
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.000531   |            |       |  3.99

Nlocal:    588 ave 588 max 588 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4004 ave 4004 max 4004 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:  96708 ave 96708 max 96708 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 96708
Ave neighs/atom = 164.469
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 = 7.6
  ghost atom cutoff = 7.6
  binsize = 3.8, bins = 5 17 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.6
      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) = 4.686 | 4.686 | 4.686 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2408.8795            0   -2408.8795   -4110.4295 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 588 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:    588 ave 588 max 588 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4082 ave 4082 max 4082 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:  96744 ave 96744 max 96744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 96744
Ave neighs/atom = 164.531
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) = 4.686 | 4.686 | 4.686 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   -2408.8795   -2408.8795    15.557797     63.85271    6.9652486   -4110.4295   -4110.4295    7.7641973   -12329.837   -9.2155717     2.397551    409.05466 
Loop time of 1.90735e-06 on 1 procs for 0 steps with 588 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:    588 ave 588 max 588 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4082 ave 4082 max 4082 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    48372 ave 48372 max 48372 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  96744 ave 96744 max 96744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 96744
Ave neighs/atom = 164.531
Neighbor list builds = 0
Dangerous builds = 0
588
-2408.87947894203 eV
2.39755095319951 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00