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 = 3.62843 3.62843 3.62843
Created orthogonal box = (0 -43.5448 0) to (15.3941 43.5448 5.13137)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.13137 6.04738 5.13137
Created 292 atoms
  create_atoms CPU = 0.000235081 secs
292 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.13137 6.04738 5.13137
Created 292 atoms
  create_atoms CPU = 0.000123978 secs
292 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 = 7.54989
  ghost atom cutoff = 7.54989
  binsize = 3.77495, bins = 5 24 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 7.54989
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 16 atoms, new total = 568
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 = 7.54989
  ghost atom cutoff = 7.54989
  binsize = 3.77495, bins = 5 24 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.54989
      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) = 4.537 | 4.537 | 4.537 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2364.5899            0   -2364.5899   -2669.5698 
      64            0   -2375.2967            0   -2375.2967   -13375.206 
Loop time of 0.187986 on 1 procs for 64 steps with 568 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 = 
        -2364.58987745      -2375.2943392       -2375.296671
  Force two-norm initial, final = 9.26765 0.151371
  Force max component initial, final = 2.89401 0.0204131
  Final line search alpha, max atom move = 1 0.0204131
  Iterations, force evaluations = 64 120

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.18326    | 0.18326    | 0.18326    |   0.0 | 97.49
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0029621  | 0.0029621  | 0.0029621  |   0.0 |  1.58
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.001764   |            |       |  0.94

Nlocal:    568 ave 568 max 568 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4404 ave 4404 max 4404 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:  78720 ave 78720 max 78720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 78720
Ave neighs/atom = 138.592
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  : 64
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.537 | 4.537 | 4.537 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      64            0   -2375.2967            0   -2375.2967   -13375.206    6879.4638 
      94            0   -2376.8934            0   -2376.8934    3127.2675    6772.2207 
Loop time of 0.064996 on 1 procs for 30 steps with 568 atoms

92.3% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
          -2375.296671     -2376.89300904     -2376.89340264
  Force two-norm initial, final = 119.286 2.66696
  Force max component initial, final = 118.726 1.81662
  Final line search alpha, max atom move = 0.00306188 0.00556228
  Iterations, force evaluations = 30 31

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.061237   | 0.061237   | 0.061237   |   0.0 | 94.22
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00080252 | 0.00080252 | 0.00080252 |   0.0 |  1.23
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.002957   |            |       |  4.55

Nlocal:    568 ave 568 max 568 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4348 ave 4348 max 4348 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:  80488 ave 80488 max 80488 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80488
Ave neighs/atom = 141.704
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 = 7.54989
  ghost atom cutoff = 7.54989
  binsize = 3.77495, bins = 4 24 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7.54989
      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) = 4.675 | 4.675 | 4.675 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2376.8934            0   -2376.8934    3127.2675 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 568 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:    568 ave 568 max 568 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4460 ave 4460 max 4460 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:  83032 ave 83032 max 83032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 83032
Ave neighs/atom = 146.183
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) = 4.675 | 4.675 | 4.675 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   -2376.8934   -2376.8934    14.943149    87.089554    5.2038277    3127.2675    3127.2675    417.18782    8545.6696    418.94501    2.3592362    529.79834 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 568 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:    568 ave 568 max 568 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4460 ave 4460 max 4460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    41516 ave 41516 max 41516 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  83032 ave 83032 max 83032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 83032
Ave neighs/atom = 146.183
Neighbor list builds = 0
Dangerous builds = 0
568
-2376.89326721706 eV
2.3592361677369 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00