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 -42.2873 0) to (42.2832 42.2873 4.05)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 5.04295 5.04295 4.05
Created 438 atoms
  create_atoms CPU = 0.00018692 secs
438 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 5.04295 5.04295 4.05
Created 438 atoms
  create_atoms CPU = 7.39098e-05 secs
438 atoms in group lower
Displacing atoms ...
Reading potential file ./SM_656517352485_000-files/b'library.meam' with DATE: 2012-06-29
Reading potential file ./SM_656517352485_000-files/b'AlSiMgCuFe.meam' with DATE: 2012-06-29
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 25 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 = 856
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 25 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) = 11.69 | 11.69 | 11.69 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -2838.6287            0   -2838.6287   -15.985617 
     207            0   -2854.6035            0   -2854.6035   -9036.6485 
Loop time of 5.49351 on 1 procs for 207 steps with 856 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 = 
        -2838.62873423      -2854.6034938      -2854.6034938
  Force two-norm initial, final = 14.9285 8.07268e-06
  Force max component initial, final = 3.84158 7.0975e-07
  Final line search alpha, max atom move = 1 7.0975e-07
  Iterations, force evaluations = 207 403

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.4712     | 5.4712     | 5.4712     |   0.0 | 99.59
Neigh   | 0.0018358  | 0.0018358  | 0.0018358  |   0.0 |  0.03
Comm    | 0.012152   | 0.012152   | 0.012152   |   0.0 |  0.22
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.008316   |            |       |  0.15

Nlocal:    856 ave 856 max 856 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5088 ave 5088 max 5088 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    33664 ave 33664 max 33664 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  67328 ave 67328 max 67328 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 67328
Ave neighs/atom = 78.6542
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  : 207
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 11.71 | 11.71 | 11.71 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     207            0   -2854.6035            0   -2854.6035   -9036.6485    14483.146 
    1207            0    -2855.074            0    -2855.074   -1599.8652    14336.811 
Loop time of 28.8177 on 1 procs for 1000 steps with 856 atoms

99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = max iterations
  Energy initial, next-to-last, final = 
         -2854.6034938     -2855.07402429     -2855.07402479
  Force two-norm initial, final = 107.324 0.0578635
  Force max component initial, final = 80.372 0.048309
  Final line search alpha, max atom move = 0.0125643 0.000606969
  Iterations, force evaluations = 1000 1994

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.565     | 28.565     | 28.565     |   0.0 | 99.12
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.055194   | 0.055194   | 0.055194   |   0.0 |  0.19
Output  | 1.4067e-05 | 1.4067e-05 | 1.4067e-05 |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.1975     |            |       |  0.69

Nlocal:    856 ave 856 max 856 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5020 ave 5020 max 5020 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    34090 ave 34090 max 34090 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  68180 ave 68180 max 68180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 68180
Ave neighs/atom = 79.6495
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 25 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) = 10.6 | 10.6 | 10.6 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0    -2855.074            0    -2855.074   -1599.8652 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 856 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:    856 ave 856 max 856 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5085 ave 5085 max 5085 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    34684 ave 34684 max 34684 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  69368 ave 69368 max 69368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 69368
Ave neighs/atom = 81.0374
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) = 10.6 | 10.6 | 10.6 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    -2855.074    -2855.074    42.126356    84.574566    4.0240087   -1599.8652   -1599.8652    1.4793179   -4795.7108    -5.364016    2.4553758    644.82726 
Loop time of 2.14577e-06 on 1 procs for 0 steps with 856 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:    856 ave 856 max 856 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    5085 ave 5085 max 5085 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    34684 ave 34684 max 34684 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  69368 ave 69368 max 69368 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 69368
Ave neighs/atom = 81.0374
Neighbor list builds = 0
Dangerous builds = 0
856
-2855.07402479357 eV
2.45537584822894 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:34