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Steve Plimpton
committed
LAMMPS (6 Oct 2016)
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# 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
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
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
Neighbor list info ...
2 neighbor list requests
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
Steve Plimpton
committed
Memory usage per processor = 7.04927 Mbytes
Step Atoms KinEng c_1 Volume
0 32000 784139.13 1601.1263 29833.783
100 32000 784292.08 1571.0968 29834.707
Steve Plimpton
committed
Loop time of 0.171815 on 4 procs for 100 steps with 32000 atoms
Steve Plimpton
committed
Performance: 5028.653 tau/day, 582.020 timesteps/s
99.7% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Steve Plimpton
committed
Pair | 0.093691 | 0.096898 | 0.10005 | 0.8 | 56.40
Neigh | 0.011976 | 0.012059 | 0.012146 | 0.1 | 7.02
Comm | 0.016384 | 0.017418 | 0.018465 | 0.8 | 10.14
Output | 7.7963e-05 | 0.00010747 | 0.00013304 | 0.2 | 0.06
Modify | 0.031744 | 0.031943 | 0.032167 | 0.1 | 18.59
Other | | 0.01339 | | | 7.79
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 = 3.68756
Neighbor list builds = 2
Dangerous builds = 0
Total wall time: 0:00:00