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 = 3.61496 3.61496 3.61496
Created orthogonal box = (0 -68.2105 0) to (34.1035 68.2105 3.61496)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.9814 4.9814 3.61496
Created 714 atoms
  create_atoms CPU = 0.000349045 secs
714 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.9814 4.9814 3.61496
Created 714 atoms
  create_atoms CPU = 0.000209808 secs
714 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 = 7.71575
  ghost atom cutoff = 7.71575
  binsize = 3.85788, bins = 9 36 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 7.71575
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 12 atoms, new total = 1416
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 = 7.71575
  ghost atom cutoff = 7.71575
  binsize = 3.85788, bins = 9 36 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.71575
      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) = 5.532 | 5.532 | 5.532 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -4975.3029            0   -4975.3029     5142.162 
      37            0   -5001.0823            0   -5001.0823   -907.37361 
Loop time of 0.333435 on 1 procs for 37 steps with 1416 atoms

102.0% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -4975.30293503     -5001.07851342       -5001.082347
  Force two-norm initial, final = 26.9819 0.206588
  Force max component initial, final = 7.75811 0.0505375
  Final line search alpha, max atom move = 1 0.0505375
  Iterations, force evaluations = 37 57

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.32158    | 0.32158    | 0.32158    |   0.0 | 96.45
Neigh   | 0.0061431  | 0.0061431  | 0.0061431  |   0.0 |  1.84
Comm    | 0.0035825  | 0.0035825  | 0.0035825  |   0.0 |  1.07
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.002127   |            |       |  0.64

Nlocal:    1416 ave 1416 max 1416 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    10029 ave 10029 max 10029 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:  244848 ave 244848 max 244848 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 244848
Ave neighs/atom = 172.915
Neighbor list builds = 1
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  : 37
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 5.532 | 5.532 | 5.532 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      37            0   -5001.0823            0   -5001.0823   -907.37361    16818.341 
      39            0   -5001.0928            0   -5001.0928    394.95452    16802.446 
Loop time of 0.0294061 on 1 procs for 2 steps with 1416 atoms

102.0% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
          -5001.082347     -5001.09207412     -5001.09275575
  Force two-norm initial, final = 20.8119 0.218755
  Force max component initial, final = 16.4762 0.0547908
  Final line search alpha, max atom move = 0.000372355 2.04016e-05
  Iterations, force evaluations = 2 4

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.028336   | 0.028336   | 0.028336   |   0.0 | 96.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00027084 | 0.00027084 | 0.00027084 |   0.0 |  0.92
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0007992  |            |       |  2.72

Nlocal:    1416 ave 1416 max 1416 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    10004 ave 10004 max 10004 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:  244772 ave 244772 max 244772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 244772
Ave neighs/atom = 172.862
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 = 7.71575
  ghost atom cutoff = 7.71575
  binsize = 3.85788, bins = 9 36 1
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.71575
      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) = 5.67 | 5.67 | 5.67 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -5001.0928            0   -5001.0928    394.95452 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 1416 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:    1416 ave 1416 max 1416 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    10004 ave 10004 max 10004 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:  244860 ave 244860 max 244860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 244860
Ave neighs/atom = 172.924
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) = 5.67 | 5.67 | 5.67 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   -5001.0928   -5001.0928    34.101718    136.42105    3.6117265    394.95452    394.95452     -4.04045     1191.025   -2.1209926    2.2993103     419.9853 
Loop time of 1.90735e-06 on 1 procs for 0 steps with 1416 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:    1416 ave 1416 max 1416 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    10004 ave 10004 max 10004 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    122430 ave 122430 max 122430 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  244860 ave 244860 max 244860 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 244860
Ave neighs/atom = 172.924
Neighbor list builds = 0
Dangerous builds = 0
1416
-5001.09275575362 eV
2.29931033069052 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00