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 -58.7404 0) to (20.7666 58.7404 5.11238)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.66362 4.44976 5.11238
Created 530 atoms
  create_atoms CPU = 0.000387192 secs
530 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.66362 4.44976 5.11238
Created 530 atoms
  create_atoms CPU = 0.000233889 secs
530 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 = 7 37 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 = 1048
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 = 7 37 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) = 4.637 | 4.637 | 4.637 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3663.6632            0   -3663.6632    1963.3565 
      28            0   -3675.0935            0   -3675.0935   -2778.8765 
Loop time of 0.0835459 on 1 procs for 28 steps with 1048 atoms

95.8% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -3663.66319571     -3675.08989621     -3675.09351864
  Force two-norm initial, final = 11.354 0.162776
  Force max component initial, final = 2.50778 0.0387342
  Final line search alpha, max atom move = 1 0.0387342
  Iterations, force evaluations = 28 45

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.080813   | 0.080813   | 0.080813   |   0.0 | 96.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00159    | 0.00159    | 0.00159    |   0.0 |  1.90
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.001143   |            |       |  1.37

Nlocal:    1048 ave 1048 max 1048 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5982 ave 5982 max 5982 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:  89864 ave 89864 max 89864 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 89864
Ave neighs/atom = 85.7481
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) = 4.637 | 4.637 | 4.637 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      28            0   -3675.0935            0   -3675.0935   -2778.8765    12472.563 
      31            0   -3675.1326            0   -3675.1326   -546.18576    12452.617 
Loop time of 0.00780511 on 1 procs for 3 steps with 1048 atoms

128.1% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -3675.09351864      -3675.1315686     -3675.13257234
  Force two-norm initial, final = 36.2507 1.79582
  Force max component initial, final = 36.1319 1.72233
  Final line search alpha, max atom move = 0.000182981 0.000315154
  Iterations, force evaluations = 3 4

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.0072656  | 0.0072656  | 0.0072656  |   0.0 | 93.09
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0001421  | 0.0001421  | 0.0001421  |   0.0 |  1.82
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0003974  |            |       |  5.09

Nlocal:    1048 ave 1048 max 1048 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5998 ave 5998 max 5998 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:  89768 ave 89768 max 89768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 89768
Ave neighs/atom = 85.6565
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 = 7 37 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) = 4.775 | 4.775 | 4.775 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3675.1326            0   -3675.1326   -546.18576 
Loop time of 0 on 1 procs for 0 steps with 1048 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   |            | 0          |            |       |  0.00

Nlocal:    1048 ave 1048 max 1048 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5998 ave 5998 max 5998 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:  89764 ave 89764 max 89764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 89764
Ave neighs/atom = 85.6527
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) = 4.775 | 4.775 | 4.775 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   -3675.1326   -3675.1326    20.776815    117.48084    5.1016966   -546.18576   -546.18576   -61.712393   -1355.7094   -221.13548    2.3727563    231.87335 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 1048 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:    1048 ave 1048 max 1048 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5998 ave 5998 max 5998 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    44882 ave 44882 max 44882 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  89764 ave 89764 max 89764 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 89764
Ave neighs/atom = 85.6527
Neighbor list builds = 0
Dangerous builds = 0
1048
-3675.13257234464 eV
2.3727562720175 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00