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 = 3.64613 3.64613 3.64613
Created orthogonal box = (0 -42.5244 0) to (21.2604 42.5244 3.64613)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.00244 5.00244 3.64613
Created 274 atoms
  create_atoms CPU = 0.000170946 secs
274 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.00244 5.00244 3.64613
Created 274 atoms
  create_atoms CPU = 6.38962e-05 secs
274 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 = 8.65905
  ghost atom cutoff = 8.65905
  binsize = 4.32953, bins = 5 20 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 8.65905
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 8 atoms, new total = 540
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 = 8.65905
  ghost atom cutoff = 8.65905
  binsize = 4.32953, bins = 5 20 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.65905
      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) = 4.918 | 4.918 | 4.918 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2071.8167            0   -2071.8167    7394.6132 
      19            0   -2093.5019            0   -2093.5019    -5106.581 
Loop time of 0.0615911 on 1 procs for 19 steps with 540 atoms

97.4% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -2071.81670919     -2093.49999968     -2093.50191899
  Force two-norm initial, final = 39.9996 0.151985
  Force max component initial, final = 10.7021 0.0156547
  Final line search alpha, max atom move = 1 0.0156547
  Iterations, force evaluations = 19 33

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.060144   | 0.060144   | 0.060144   |   0.0 | 97.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00096941 | 0.00096941 | 0.00096941 |   0.0 |  1.57
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0004776  |            |       |  0.78

Nlocal:    540 ave 540 max 540 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5900 ave 5900 max 5900 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:  120056 ave 120056 max 120056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 120056
Ave neighs/atom = 222.326
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  : 19
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.918 | 4.918 | 4.918 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      19            0   -2093.5019            0   -2093.5019    -5106.581     6592.815 
      23            0   -2093.5382            0   -2093.5382   -2634.8677    6582.8237 
Loop time of 0.0153911 on 1 procs for 4 steps with 540 atoms

129.9% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -2093.50191899     -2093.53724213     -2093.53819458
  Force two-norm initial, final = 25.8082 2.84545
  Force max component initial, final = 25.697 2.69049
  Final line search alpha, max atom move = 0.000254119 0.000683704
  Iterations, force evaluations = 4 5

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.014612   | 0.014612   | 0.014612   |   0.0 | 94.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00021434 | 0.00021434 | 0.00021434 |   0.0 |  1.39
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0005648  |            |       |  3.67

Nlocal:    540 ave 540 max 540 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5900 ave 5900 max 5900 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:  119720 ave 119720 max 119720 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 119720
Ave neighs/atom = 221.704
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 = 8.65905
  ghost atom cutoff = 8.65905
  binsize = 4.32953, bins = 5 20 1
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 8.65905
      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) = 5.056 | 5.056 | 5.056 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2093.5382            0   -2093.5382   -2634.8677 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 540 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:    540 ave 540 max 540 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5900 ave 5900 max 5900 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:  119752 ave 119752 max 119752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 119752
Ave neighs/atom = 221.763
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) = 5.056 | 5.056 | 5.056 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   -2093.5382   -2093.5382    21.199224    85.048816    3.6511022   -2634.8677   -2634.8677    218.99659   -8779.3242    655.72441    2.3060253    253.91955 
Loop time of 1.19209e-06 on 1 procs for 0 steps with 540 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:    540 ave 540 max 540 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5900 ave 5900 max 5900 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    59876 ave 59876 max 59876 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  119752 ave 119752 max 119752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 119752
Ave neighs/atom = 221.763
Neighbor list builds = 0
Dangerous builds = 0
540
-2093.53819457865 eV
2.30602533127012 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00