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 -45.2844 0) to (45.2804 45.2844 4.05)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.70916 4.70916 4.05
Created 502 atoms
  create_atoms CPU = 0.000271082 secs
502 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.70916 4.70916 4.05
Created 502 atoms
  create_atoms CPU = 0.000123978 secs
502 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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 13 26 2
  3 neighbor lists, perpetual/occasional/extra = 2 1 0
  (1) command delete_atoms, occasional, copy from (2)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
  (2) pair meam/c, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (3) pair meam/c, perpetual, half/full from (2)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Deleted 20 atoms, new total = 984
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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 13 26 2
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/c, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/c, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 0
Per MPI rank memory allocation (min/avg/max) = 11.95 | 11.95 | 11.95 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3266.3608            0   -3266.3608    4498.5409 
     257            0   -3290.1441            0   -3290.1441   -4523.4411 
Loop time of 5.29466 on 1 procs for 257 steps with 984 atoms

99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -3266.36083824     -3290.14413848     -3290.14413848
  Force two-norm initial, final = 33.6197 1.33899e-05
  Force max component initial, final = 8.5703 2.77935e-06
  Final line search alpha, max atom move = 1 2.77935e-06
  Iterations, force evaluations = 257 509

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.262      | 5.262      | 5.262      |   0.0 | 99.38
Neigh   | 0.0029731  | 0.0029731  | 0.0029731  |   0.0 |  0.06
Comm    | 0.01752    | 0.01752    | 0.01752    |   0.0 |  0.33
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.01216    |            |       |  0.23

Nlocal:    984 ave 984 max 984 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5689 ave 5689 max 5689 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    38608 ave 38608 max 38608 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  77216 ave 77216 max 77216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 77216
Ave neighs/atom = 78.4715
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  : 257
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 11.96 | 11.96 | 11.96 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     257            0   -3290.1441            0   -3290.1441   -4523.4411    16609.003 
    1257            0    -3290.239            0    -3290.239   -1259.8831     16534.94 
Loop time of 21.3127 on 1 procs for 1000 steps with 984 atoms

100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = max iterations
  Energy initial, next-to-last, final = 
        -3290.14413848      -3290.2389569     -3290.23895691
  Force two-norm initial, final = 54.391 0.0113693
  Force max component initial, final = 44.1485 0.0111482
  Final line search alpha, max atom move = 0.901806 0.0100535
  Iterations, force evaluations = 1000 1998

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 21.013     | 21.013     | 21.013     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.063651   | 0.063651   | 0.063651   |   0.0 |  0.30
Output  | 1.8835e-05 | 1.8835e-05 | 1.8835e-05 |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.2365     |            |       |  1.11

Nlocal:    984 ave 984 max 984 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5698 ave 5698 max 5698 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    38578 ave 38578 max 38578 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  77156 ave 77156 max 77156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 77156
Ave neighs/atom = 78.4106
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 = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 13 26 2
  4 neighbor lists, perpetual/occasional/extra = 2 2 0
  (1) pair meam/c, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/c, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
  (3) compute centro/atom, occasional, copy from (1)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
  (4) compute pair/local, occasional, copy from (2)
      attributes: half, newton on
      pair build: copy
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 10.84 | 10.84 | 10.84 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0    -3290.239            0    -3290.239   -1259.8831 
Loop time of 2.14577e-06 on 1 procs for 0 steps with 984 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   |            | 2.146e-06  |            |       |100.00

Nlocal:    984 ave 984 max 984 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5698 ave 5698 max 5698 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    38726 ave 38726 max 38726 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  77452 ave 77452 max 77452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 77452
Ave neighs/atom = 78.7114
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) = 10.84 | 10.84 | 10.84 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    -3290.239    -3290.239    45.246458    90.568828    4.0349605   -1259.8831   -1259.8831   -1.0794122   -3778.6138  0.043890653    2.4678052    589.18018 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 984 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:    984 ave 984 max 984 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5698 ave 5698 max 5698 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    38726 ave 38726 max 38726 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  77452 ave 77452 max 77452 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 77452
Ave neighs/atom = 78.7114
Neighbor list builds = 0
Dangerous builds = 0
984
-3290.23895691094 eV
2.46780524232608 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:26