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 = 3.61473 3.61473 3.61473
Created orthogonal box = (0 -38.5984 0) to (27.2906 38.5984 5.112)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 6.22417 6.09391 5.112
Created 458 atoms
  create_atoms CPU = 0.000287056 secs
458 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 6.22417 6.09391 5.112
Created 458 atoms
  create_atoms CPU = 0.000173807 secs
458 atoms in group lower
Displacing atoms ...
WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:979)
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 = 5.5
  ghost atom cutoff = 5.5
  binsize = 2.75, bins = 10 29 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 5.5
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 24 atoms, new total = 892
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 = 5.5
  ghost atom cutoff = 5.5
  binsize = 2.75, bins = 10 29 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.5
      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) = 4.551 | 4.551 | 4.551 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3128.2941            0   -3128.2941   -3646.9136 
      41            0   -3142.5669            0   -3142.5669   -17997.709 
Loop time of 0.097014 on 1 procs for 41 steps with 892 atoms

92.8% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
         -3128.2940587     -3142.56397821     -3142.56686652
  Force two-norm initial, final = 10.6807 0.280352
  Force max component initial, final = 3.85753 0.0548065
  Final line search alpha, max atom move = 0.938923 0.0514591
  Iterations, force evaluations = 41 64

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.092337   | 0.092337   | 0.092337   |   0.0 | 95.18
Neigh   | 0.001895   | 0.001895   | 0.001895   |   0.0 |  1.95
Comm    | 0.0013478  | 0.0013478  | 0.0013478  |   0.0 |  1.39
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.001435   |            |       |  1.48

Nlocal:    892 ave 892 max 892 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    3386 ave 3386 max 3386 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:  47888 ave 47888 max 47888 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 47888
Ave neighs/atom = 53.6861
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  : 41
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.551 | 4.551 | 4.551 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      41            0   -3142.5669            0   -3142.5669   -17997.709    10769.687 
      47            0   -3143.1515            0   -3143.1515   -7414.5641    10683.978 
Loop time of 0.0147841 on 1 procs for 6 steps with 892 atoms

135.3% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -3142.56686652     -3143.15127416     -3143.15145698
  Force two-norm initial, final = 118.777 0.469017
  Force max component initial, final = 85.9539 0.15738
  Final line search alpha, max atom move = 0.00079419 0.00012499
  Iterations, force evaluations = 6 8

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.013833   | 0.013833   | 0.013833   |   0.0 | 93.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00017858 | 0.00017858 | 0.00017858 |   0.0 |  1.21
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0007725  |            |       |  5.23

Nlocal:    892 ave 892 max 892 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    3404 ave 3404 max 3404 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:  48036 ave 48036 max 48036 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 48036
Ave neighs/atom = 53.852
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 = 5.5
  ghost atom cutoff = 5.5
  binsize = 2.75, bins = 10 29 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 5.5
      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) = 4.689 | 4.689 | 4.689 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0    3098.2954            0    3098.2954   -7414.5641 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 892 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:    892 ave 892 max 892 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    3404 ave 3404 max 3404 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:  48064 ave 48064 max 48064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 48064
Ave neighs/atom = 53.8834
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) = 4.689 | 4.689 | 4.689 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    3098.2954   -3143.1515    27.192438    77.196737    5.0896262   -7414.5641   -7414.5641   -23.515921   -22219.458  -0.71783859    2.3473672    392.95449 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 892 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:    892 ave 892 max 892 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    3404 ave 3404 max 3404 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    24032 ave 24032 max 24032 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  48064 ave 48064 max 48064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 48064
Ave neighs/atom = 53.8834
Neighbor list builds = 0
Dangerous builds = 0
892
3098.29537682784 eV
2.34736717483728 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00