LAMMPS (12 Jun 2025 - Development - patch_12Jun2025-784-g8c564460e6-modified)
  using 1 OpenMP thread(s) per MPI task
# LAMMPS benchmark of granular flow
# chute flow of 32000 atoms with frozen base at 26 degrees

units           lj
atom_style      sphere
boundary        p p fs
newton          off
comm_modify     vel yes

read_data       data.chute
Reading data file ...
  orthogonal box = (0 0 0) to (40 20 37.2886)
  2 by 1 by 2 MPI processor grid
  reading atoms ...
  32000 atoms
  reading velocities ...
  32000 velocities
  read_data CPU = 0.076 seconds

pair_style      gran/hooke/history 200000.0 NULL 50.0 NULL 0.5 0
pair_coeff      * *

neighbor        0.1 bin
neigh_modify    every 1 delay 0

timestep        0.0001

group           bottom type 2
912 atoms in group bottom
group           active subtract all bottom
31088 atoms in group active
neigh_modify    exclude group bottom bottom

fix             1 all gravity 1.0 chute 26.0
fix             2 bottom freeze
fix             3 active nve/sphere

compute         1 all erotate/sphere
thermo_style    custom step atoms ke c_1 vol
thermo_modify   norm no
thermo          100

run             100
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 1.1
  ghost atom cutoff = 1.1
  binsize = 0.55, bins = 73 37 68
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair gran/hooke/history, perpetual
      attributes: half, newton off, size, history
      pair build: half/size/bin/atomonly/newtoff
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 10.59 | 10.59 | 10.6 Mbytes
   Step        Atoms        KinEng          c_1           Volume    
         0       32000   784139.13      1601.1263      29833.783    
       100       32000   784292.08      1571.0968      29834.707    
Loop time of 0.0434391 on 4 procs for 100 steps with 32000 atoms

Performance: 19889.900 tau/day, 2302.072 timesteps/s, 73.666 Matom-step/s
99.2% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.021299   | 0.022774   | 0.024215   |   0.8 | 52.43
Neigh   | 0.0046727  | 0.0047926  | 0.0048429  |   0.1 | 11.03
Comm    | 0.0037461  | 0.003889   | 0.0040378  |   0.2 |  8.95
Output  | 5.0456e-05 | 7.1489e-05 | 9.1084e-05 |   0.0 |  0.16
Modify  | 0.0087177  | 0.0087334  | 0.008752   |   0.0 | 20.10
Other   |            | 0.003179   |            |       |  7.32

Nlocal:           8000 ave        8008 max        7992 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:           2439 ave        2450 max        2428 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs:        29500.5 ave       30488 max       28513 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 118002
Ave neighs/atom = 3.6875625
Neighbor list builds = 2
Dangerous builds = 0
Total wall time: 0:00:00
