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
# Using KIM Simulator Model : Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 7 Aug 2019
#
Lattice spacing in x,y,z = 3.52 3.52 3.52
Created orthogonal box = (0 -49.7838 0) to (24.8902 49.7838 3.52)
  1 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 3.98243 3.98243 3.52
Created 402 atoms
  create_atoms CPU = 0.000266075 secs
402 atoms in group upper
Displacing atoms ...
Lattice spacing in x,y,z = 3.98243 3.98243 3.52
Created 402 atoms
  create_atoms CPU = 0.000110865 secs
402 atoms in group lower
Displacing atoms ...
Reading potential file /tmp/kim-simulator-model-parameter-file-directory-XXXXXXyLMTYZ/Ni.adp with DATE: 2011-06-20
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 = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 7 28 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 adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Deleted 8 atoms, new total = 796
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 = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 7 28 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Setting up cg style minimization ...
  Unit style    : metal
  Current step  : 0
Per MPI rank memory allocation (min/avg/max) = 7.219 | 7.219 | 7.219 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0    -3510.928            0    -3510.928    7393.3913 
      23            0   -3528.8813            0   -3528.8813   -2848.9002 
Loop time of 0.131946 on 1 procs for 23 steps with 796 atoms

106.1% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -3510.92802134       -3528.878474     -3528.88125517
  Force two-norm initial, final = 19.2085 0.180344
  Force max component initial, final = 4.79528 0.0206087
  Final line search alpha, max atom move = 1 0.0206087
  Iterations, force evaluations = 23 39

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.12936    | 0.12936    | 0.12936    |   0.0 | 98.04
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0016928  | 0.0016928  | 0.0016928  |   0.0 |  1.28
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0008912  |            |       |  0.68

Nlocal:    796 ave 796 max 796 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    7057 ave 7057 max 7057 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    55460 ave 55460 max 55460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 55460
Ave neighs/atom = 69.6734
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  : 23
WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies
Per MPI rank memory allocation (min/avg/max) = 7.219 | 7.219 | 7.219 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
      23            0   -3528.8813            0   -3528.8813   -2848.9002    8723.4583 
      24            0   -3528.8823            0   -3528.8823   -2068.9082    8719.6318 
Loop time of 0.0110469 on 1 procs for 1 steps with 796 atoms

90.5% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
        -3528.88125517     -3528.88125517     -3528.88232642
  Force two-norm initial, final = 6.43222 1.75167
  Force max component initial, final = 5.87465 1.58955
  Final line search alpha, max atom move = 0.000170223 0.000270577
  Iterations, force evaluations = 1 2

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.010616   | 0.010616   | 0.010616   |   0.0 | 96.10
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.00013065 | 0.00013065 | 0.00013065 |   0.0 |  1.18
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.0003002  |            |       |  2.72

Nlocal:    796 ave 796 max 796 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    7072 ave 7072 max 7072 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    55540 ave 55540 max 55540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 55540
Ave neighs/atom = 69.7739
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 = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 7 28 1
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      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, copy from (1)
      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) = 6.851 | 6.851 | 6.851 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -3528.8823            0   -3528.8823   -2068.9082 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 796 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:    796 ave 796 max 796 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    7072 ave 7072 max 7072 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    55542 ave 55542 max 55542 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 55542
Ave neighs/atom = 69.7764
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) = 6.851 | 6.851 | 6.851 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   -3528.8823   -3528.8823    24.882601    99.567674    3.5195246   -2068.9082   -2068.9082   -131.09354   -6367.6609    292.02992     2.262471    183.92298 
Loop time of 9.53674e-07 on 1 procs for 0 steps with 796 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:    796 ave 796 max 796 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    7072 ave 7072 max 7072 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    55542 ave 55542 max 55542 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  111084 ave 111084 max 111084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111084
Ave neighs/atom = 139.553
Neighbor list builds = 0
Dangerous builds = 0
796
-3528.88232642431 eV
2.26247096936564 Angstroms
This indicates that LAMMPS ran successfully
Total wall time: 0:00:00