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 = 4.05 4.05 4.05
Created orthogonal box = (0 -49.2745 0) to (24.6352 49.2745 4.05)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.66072 4.66072 4.05
Created 298 atoms
  create_atoms CPU = 0.0002141 secs
298 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.66072 4.66072 4.05
Created 298 atoms
  create_atoms CPU = 9.01222e-05 secs
298 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 = 8.28721
  ghost atom cutoff = 8.28721
  binsize = 4.1436, bins = 6 24 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 8.28721
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 10 atoms, new total = 586
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 = 8.28721
  ghost atom cutoff = 8.28721
  binsize = 4.1436, bins = 6 24 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.28721
      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) = 4.528 | 4.528 | 4.528 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -1953.9117            0   -1953.9117    262.24075 
     189            0   -1962.3996            0   -1962.3996   -4028.9248 
Loop time of 0.76682 on 1 procs for 189 steps with 586 atoms

100.4% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -1953.91170864      -1962.3996209      -1962.3996209
  Force two-norm initial, final = 11.1972 9.32806e-06
  Force max component initial, final = 3.64264 1.94854e-06
  Final line search alpha, max atom move = 1 1.94854e-06
  Iterations, force evaluations = 189 375

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.74663    | 0.74663    | 0.74663    |   0.0 | 97.37
Neigh   | 0.0025918  | 0.0025918  | 0.0025918  |   0.0 |  0.34
Comm    | 0.011579   | 0.011579   | 0.011579   |   0.0 |  1.51
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.006017   |            |       |  0.78

Nlocal:    586 ave 586 max 586 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5144 ave 5144 max 5144 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:  81644 ave 81644 max 81644 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 81644
Ave neighs/atom = 139.324
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  : 189
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.529 | 4.529 | 4.529 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     189            0   -1962.3996            0   -1962.3996   -4028.9248    9832.5009 
    1189            0   -1962.4426            0   -1962.4426   -1088.5219      9795.83 
Loop time of 3.49916 on 1 procs for 1000 steps with 586 atoms

99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = max iterations
  Energy initial, next-to-last, final = 
         -1962.3996209     -1962.44264139     -1962.44264139
  Force two-norm initial, final = 28.9879 0.00513741
  Force max component initial, final = 24.239 0.00383048
  Final line search alpha, max atom move = 0.796474 0.00305088
  Iterations, force evaluations = 1000 1998

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 3.2893     | 3.2893     | 3.2893     |   0.0 | 94.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049745   | 0.049745   | 0.049745   |   0.0 |  1.42
Output  | 1.6928e-05 | 1.6928e-05 | 1.6928e-05 |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.1601     |            |       |  4.58

Nlocal:    586 ave 586 max 586 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5139 ave 5139 max 5139 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:  81664 ave 81664 max 81664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 81664
Ave neighs/atom = 139.358
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 = 8.28721
  ghost atom cutoff = 8.28721
  binsize = 4.1436, bins = 6 24 1
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.28721
      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) = 4.666 | 4.666 | 4.666 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -1962.4426            0   -1962.4426   -1088.5219 
Loop time of 1.90735e-06 on 1 procs for 0 steps with 586 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:    586 ave 586 max 586 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5144 ave 5144 max 5144 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:  81664 ave 81664 max 81664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 81664
Ave neighs/atom = 139.358
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) = 4.666 | 4.666 | 4.666 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   -1962.4426   -1962.4426    24.621569    98.548967    4.0371365   -1088.5219   -1088.5219  -0.62615528   -3264.4049   -0.5345659    2.5170874    379.64779 
Loop time of 1.90735e-06 on 1 procs for 0 steps with 586 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:    586 ave 586 max 586 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5144 ave 5144 max 5144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    40832 ave 40832 max 40832 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  81664 ave 81664 max 81664 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 81664
Ave neighs/atom = 139.358
Neighbor list builds = 0
Dangerous builds = 0
586
-1962.44264145078 eV
2.51708740307109 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:04