LAMMPS (24 Dec 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.5213917 3.5213917 3.5213917
Created orthogonal box = (0.0000000 -41.069653 0.0000000) to (20.533066 41.069653 3.5213917)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.8313096 4.8313096 3.5213917
Created 273 atoms
  create_atoms CPU = 0.000 seconds
273 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.8313096 4.8313096 3.5213917
Created 273 atoms
  create_atoms CPU = 0.000 seconds
273 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 = 6
  ghost atom cutoff = 6
  binsize = 3, bins = 7 28 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 6
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Deleted 6 atoms, new total = 540
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6
  ghost atom cutoff = 6
  binsize = 3, bins = 7 28 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6
      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) = 4.478 | 4.478 | 4.478 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2363.6449            0   -2363.6449    20079.556 
      65            0   -2390.5114            0   -2390.5114    -151.0849 
Loop time of 1.44999 on 1 procs for 65 steps with 540 atoms

78.5% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
      -2363.6449392866  -2390.50943754558  -2390.51136367974
  Force two-norm initial, final = 40.317070 0.17795340
  Force max component initial, final = 14.352237 0.056038344
  Final line search alpha, max atom move = 1.0000000 0.056038344
  Iterations, force evaluations = 65 112

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.443      | 1.443      | 1.443      |   0.0 | 99.52
Neigh   | 0.0016582  | 0.0016582  | 0.0016582  |   0.0 |  0.11
Comm    | 0.0032086  | 0.0032086  | 0.0032086  |   0.0 |  0.22
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.002086   |            |       |  0.14

Nlocal:        540.000 ave         540 max         540 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3864.00 ave        3864 max        3864 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      41928.0 ave       41928 max       41928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 41928
Ave neighs/atom = 77.644444
Neighbor list builds = 1
Dangerous builds = 0
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:188)
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 65
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 4.478 | 4.478 | 4.478 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      65            0   -2390.5114            0   -2390.5114    -151.0849      5939.08 
      67            0   -2390.5216            0   -2390.5216    2215.8657    5931.4754 
Loop time of 0.0872941 on 1 procs for 2 steps with 540 atoms

48.7% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
     -2390.51136367974  -2390.52061169588  -2390.52160551705
  Force two-norm initial, final = 16.877900 0.18361857
  Force max component initial, final = 15.453173 0.059710642
  Final line search alpha, max atom move = 0.00036791642 2.1968525e-05
  Iterations, force evaluations = 2 3

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.086888   | 0.086888   | 0.086888   |   0.0 | 99.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0001105  | 0.0001105  | 0.0001105  |   0.0 |  0.13
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0002955  |            |       |  0.34

Nlocal:        540.000 ave         540 max         540 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3857.00 ave        3857 max        3857 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      41928.0 ave       41928 max       41928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 41928
Ave neighs/atom = 77.644444
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 = 6
  ghost atom cutoff = 6
  binsize = 3, bins = 7 28 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 6
      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) = 4.616 | 4.616 | 4.616 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2390.5216            0   -2390.5216    2215.8657 
Loop time of 2.20002e-06 on 1 procs for 0 steps with 540 atoms

136.4% 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   |            | 2.2e-06    |            |       |100.00

Nlocal:        540.000 ave         540 max         540 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3857.00 ave        3857 max        3857 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      41928.0 ave       41928 max       41928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 41928
Ave neighs/atom = 77.644444
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) = 4.616 | 4.616 | 4.616 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   -2390.5216   -2390.5216    20.505303    82.139306    3.5216444    2215.8657    2215.8657   -2.9170073    6654.9561   -4.4419156    2.2596405    295.23534 
Loop time of 2.59979e-06 on 1 procs for 0 steps with 540 atoms

153.9% 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   |            | 2.6e-06    |            |       |100.00

Nlocal:        540.000 ave         540 max         540 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        3857.00 ave        3857 max        3857 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        20964.0 ave       20964 max       20964 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      41928.0 ave       41928 max       41928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 41928
Ave neighs/atom = 77.644444
Neighbor list builds = 0
Dangerous builds = 0
540
-2390.52160551705 eV
2.25964045013145 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:01