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 = 4.06627 4.06627 4.06627
Created orthogonal box = (0 -65.5707 0) to (32.7833 65.5707 4.06627)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 4.53923 4.53923 4.06627
Created 522 atoms
  create_atoms CPU = 0.000188112 secs
522 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 4.53923 4.53923 4.06627
Created 522 atoms
  create_atoms CPU = 8.01086e-05 secs
522 atoms in group lower
Displacing atoms ...
Reading potential file ./SM_566399258279_000-files/b'AlCu.bop.table' with DATE: 2015-07-06
Reading potential file ./SM_566399258279_000-files/b'AlCu.bop.table' with DATE: 2015-07-06
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 = 6.2
  ghost atom cutoff = 12.7
  binsize = 3.1, bins = 11 43 2
  2 neighbor lists, perpetual/occasional/extra = 1 1 0
  (1) command delete_atoms, occasional, copy from (2)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
  (2) pair bop, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Deleted 12 atoms, new total = 1032
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 = 6.2
  ghost atom cutoff = 12.7
  binsize = 3.1, bins = 11 43 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair bop, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 0
Per MPI rank memory allocation (min/avg/max) = 9.305 | 9.305 | 9.305 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3446.7928            0   -3446.7928   -8838.1214 
     308            0   -3456.6499            0   -3456.6499   -10705.523 
Loop time of 38.2516 on 1 procs for 308 steps with 1032 atoms

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

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -3446.79277473     -3456.64987588     -3456.64987588
  Force two-norm initial, final = 6.87493 2.71951e-07
  Force max component initial, final = 1.62929 1.63384e-08
  Final line search alpha, max atom move = 1 1.63384e-08
  Iterations, force evaluations = 308 606

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 38.177     | 38.177     | 38.177     |   0.0 | 99.80
Neigh   | 0.023052   | 0.023052   | 0.023052   |   0.0 |  0.06
Comm    | 0.038818   | 0.038818   | 0.038818   |   0.0 |  0.10
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.01319    |            |       |  0.03

Nlocal:    1032 ave 1032 max 1032 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    14221 ave 14221 max 14221 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:  55744 ave 55744 max 55744 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 55744
Ave neighs/atom = 54.0155
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  : 308
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 9.316 | 9.316 | 9.316 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     308            0   -3456.6499            0   -3456.6499   -10705.523    17481.902 
    1308            0   -3457.5658            0   -3457.5658   -2430.3938    17291.432 
Loop time of 124.859 on 1 procs for 1000 steps with 1032 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 = 
        -3456.64987588     -3457.56582893     -3457.56582893
  Force two-norm initial, final = 155.607 0.00754914
  Force max component initial, final = 146.231 0.00420414
  Final line search alpha, max atom move = 0.142911 0.000600818
  Iterations, force evaluations = 1000 1988

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 124.41     | 124.41     | 124.41     |   0.0 | 99.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12331    | 0.12331    | 0.12331    |   0.0 |  0.10
Output  | 1.3113e-05 | 1.3113e-05 | 1.3113e-05 |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.3281     |            |       |  0.26

Nlocal:    1032 ave 1032 max 1032 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    14221 ave 14221 max 14221 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:  55648 ave 55648 max 55648 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 55648
Ave neighs/atom = 53.9225
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 = 6.2
  ghost atom cutoff = 12.7
  binsize = 3.1, bins = 11 43 2
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair bop, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
  (2) compute centro/atom, occasional, copy from (1)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
  (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) = 8.825 | 8.825 | 8.825 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3457.5658            0   -3457.5658   -2430.3938 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 1032 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:    1032 ave 1032 max 1032 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    14312 ave 14312 max 14312 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:  55736 ave 55736 max 55736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 55736
Ave neighs/atom = 54.0078
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) = 8.825 | 8.825 | 8.825 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   -3457.5658   -3457.5658    32.354273    131.14138       4.0753   -2430.3938   -2430.3938   0.38444631    -7291.889   0.32304231    2.3166778    484.26328 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 1032 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:    1032 ave 1032 max 1032 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    14312 ave 14312 max 14312 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    27868 ave 27868 max 27868 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  55736 ave 55736 max 55736 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 55736
Ave neighs/atom = 54.0078
Neighbor list builds = 0
Dangerous builds = 0
1032
-3457.56582893345 eV
2.31667780696448 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:02:43