LAMMPS (18 Jun 2019)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
  using 1 OpenMP thread(s) per MPI task
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
  using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 4.04526 4.04526 4.04526
Created orthogonal box = (0 -51.8086 0) to (25.9023 51.8086 4.04526)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.68587 5.68587 4.04526
Created 330 atoms
  create_atoms CPU = 0.000181913 secs
330 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.68587 5.68587 4.04526
Created 330 atoms
  create_atoms CPU = 7.60555e-05 secs
330 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 = 8.5
  ghost atom cutoff = 8.5
  binsize = 4.25, bins = 7 25 1
  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 8.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 12 atoms, new total = 648
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 = 8.5
  ghost atom cutoff = 8.5
  binsize = 4.25, bins = 7 25 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.5
      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   -2196.1845            0   -2196.1845     -137.056 
     200            0   -2204.0437            0   -2204.0437    -4528.398 
Loop time of 1.06526 on 1 procs for 200 steps with 648 atoms

99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -2196.18445213     -2204.04365539     -2204.04365539
  Force two-norm initial, final = 13.9633 5.97332e-06
  Force max component initial, final = 4.47181 7.18977e-07
  Final line search alpha, max atom move = 1 7.18977e-07
  Iterations, force evaluations = 200 393

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.0454     | 1.0454     | 1.0454     |   0.0 | 98.14
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.012928   | 0.012928   | 0.012928   |   0.0 |  1.21
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.006913   |            |       |  0.65

Nlocal:    648 ave 648 max 648 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5582 ave 5582 max 5582 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:  90352 ave 90352 max 90352 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 90352
Ave neighs/atom = 139.432
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  : 200
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 
     200            0   -2204.0437            0   -2204.0437    -4528.398    10857.179 
    1200            0   -2204.1237            0   -2204.1237   -907.29338     10807.89 
Loop time of 4.89818 on 1 procs for 1000 steps with 648 atoms

99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = max iterations
  Energy initial, next-to-last, final = 
        -2204.04365539     -2204.12365809     -2204.12365812
  Force two-norm initial, final = 40.1256 0.0101589
  Force max component initial, final = 34.9752 0.00630188
  Final line search alpha, max atom move = 0.786508 0.00495648
  Iterations, force evaluations = 1000 1996

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 4.659      | 4.659      | 4.659      |   0.0 | 95.12
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.05663    | 0.05663    | 0.05663    |   0.0 |  1.16
Output  | 1.3113e-05 | 1.3113e-05 | 1.3113e-05 |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.1825     |            |       |  3.73

Nlocal:    648 ave 648 max 648 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5587 ave 5587 max 5587 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:  91548 ave 91548 max 91548 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 91548
Ave neighs/atom = 141.278
Neighbor list builds = 0
Dangerous builds = 0
WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.5
  ghost atom cutoff = 8.5
  binsize = 4.25, bins = 7 25 1
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.5
      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) = 4.687 | 4.687 | 4.687 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2204.1237            0   -2204.1237   -907.29338 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 648 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:    648 ave 648 max 648 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5587 ave 5587 max 5587 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:  91688 ave 91688 max 91688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 91688
Ave neighs/atom = 141.494
Neighbor list builds = 0
Dangerous builds = 0
WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.687 | 4.687 | 4.687 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   -2204.1237   -2204.1237    25.899569    103.61729    4.0273199   -907.29338   -907.29338  -0.69872717   -2720.2513  -0.93005604    2.4444208    271.27819 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 648 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:    648 ave 648 max 648 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5587 ave 5587 max 5587 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    45844 ave 45844 max 45844 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  91688 ave 91688 max 91688 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 91688
Ave neighs/atom = 141.494
Neighbor list builds = 0
Dangerous builds = 0
648
-2204.1236581199 eV
2.44442083342621 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:06