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 -49.2168 0) to (24.6064 49.2168 4.04526)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.65526 4.65526 4.04526
Created 298 atoms
  create_atoms CPU = 0.000161886 secs
298 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.65526 4.65526 4.04526
Created 298 atoms
  create_atoms CPU = 5.38826e-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 = 8.5
  ghost atom cutoff = 8.5
  binsize = 4.25, 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 8.5
      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 = 8.5
  ghost atom cutoff = 8.5
  binsize = 4.25, bins = 6 24 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) = 4.531 | 4.531 | 4.531 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -1984.8387            0   -1984.8387    1268.1847 
     230            0    -1991.987            0    -1991.987   -2706.1839 
Loop time of 0.983097 on 1 procs for 230 steps with 586 atoms

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

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -1984.83873895     -1991.98700358     -1991.98700358
  Force two-norm initial, final = 15.8044 1.17514e-05
  Force max component initial, final = 5.90185 1.80851e-06
  Final line search alpha, max atom move = 1 1.80851e-06
  Iterations, force evaluations = 230 457

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.96167    | 0.96167    | 0.96167    |   0.0 | 97.82
Neigh   | 0.0024979  | 0.0024979  | 0.0024979  |   0.0 |  0.25
Comm    | 0.012556   | 0.012556   | 0.012556   |   0.0 |  1.28
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.006371   |            |       |  0.65

Nlocal:    586 ave 586 max 586 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5184 ave 5184 max 5184 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:  82504 ave 82504 max 82504 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 82504
Ave neighs/atom = 140.792
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  : 230
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.531 | 4.531 | 4.531 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     230            0    -1991.987            0    -1991.987   -2706.1839    9797.9826 
    1230            0   -1992.0255            0   -1992.0255    190.42291    9762.3122 
Loop time of 4.14531 on 1 procs for 1000 steps with 586 atoms

100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = max iterations
  Energy initial, next-to-last, final = 
        -1991.98700358     -1992.02549955     -1992.02549955
  Force two-norm initial, final = 28.041 0.0016898
  Force max component initial, final = 22.3895 0.00104632
  Final line search alpha, max atom move = 1 0.00104632
  Iterations, force evaluations = 1000 1998

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 3.9397     | 3.9397     | 3.9397     |   0.0 | 95.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049783   | 0.049783   | 0.049783   |   0.0 |  1.20
Output  | 3.0041e-05 | 3.0041e-05 | 3.0041e-05 |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.1558     |            |       |  3.76

Nlocal:    586 ave 586 max 586 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5184 ave 5184 max 5184 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:  82444 ave 82444 max 82444 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 82444
Ave neighs/atom = 140.689
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 = 6 24 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) = 4.669 | 4.669 | 4.669 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -1992.0255            0   -1992.0255    190.42291 
Loop time of 9.53674e-07 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   |            | 9.537e-07  |            |       |100.00

Nlocal:    586 ave 586 max 586 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5184 ave 5184 max 5184 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:  82508 ave 82508 max 82508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 82508
Ave neighs/atom = 140.799
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) = 4.669 | 4.669 | 4.669 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   -1992.0255   -1992.0255    24.583072    98.433509      4.03435    190.42291    190.42291  -0.17155872    571.58656   -0.1462607    2.4372478    403.31897 
Loop time of 1.19209e-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   |            | 1.192e-06  |            |       |100.00

Nlocal:    586 ave 586 max 586 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5184 ave 5184 max 5184 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    41254 ave 41254 max 41254 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  82508 ave 82508 max 82508 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 82508
Ave neighs/atom = 140.799
Neighbor list builds = 0
Dangerous builds = 0
586
-1992.02549955192 eV
2.43724778963685 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:05