Homec4science
Diffusion lammps (efficient_neuronet) Browse

lammps/bench-accel/bench_airebo/log.airebo.1
60e58c44cf1fefficient_neuronet

Last Change
Raw File

log.airebo.1
View Options

LAMMPS (15 Jan 2012-ICMS)
# AIREBO polyethelene benchmark
units metal
atom_style atomic
read_data data.airebo
orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
1 by 1 by 1 MPI processor grid
60 atoms
replicate 17 16 2
orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
1 by 1 by 1 MPI processor grid
32640 atoms
neighbor 0.5 bin
neigh_modify delay 5 every 1
pair_style airebo 3.0 1 1
pair_coeff * * CH.airebo C H
velocity all create 300.0 761341
fix 1 all nve
timestep 0.0005
thermo 10
run 100
Memory usage per processor = 105.379 Mbytes
Step Temp E_pair E_mol TotEng Press
0 300 -139300.72 0 -138035.04 8723.8288
10 143.01157 -138634.6 0 -138031.25 32225.46
20 219.32136 -138957.56 0 -138032.26 -3600.9389
30 120.49865 -138536.25 0 -138027.88 11258.718
40 158.53643 -138697.17 0 -138028.32 13161.818
50 92.366125 -138416.77 0 -138027.08 23698.124
60 182.22567 -138798.29 0 -138029.49 32900.817
70 153.27982 -138677.21 0 -138030.53 3847.2831
80 173.36345 -138763.71 0 -138032.3 20642.085
90 193.98088 -138850.35 0 -138031.96 -10141.446
100 193.18537 -138847.11 0 -138032.08 31882.117
Loop time of 112.821 on 1 procs for 100 steps with 32640 atoms
Pair time (%) = 103.608 (91.8338)
Neigh time (%) = 9.05471 (8.0257)
Comm time (%) = 0.0524595 (0.0464978)
Output time (%) = 0.00150323 (0.0013324)
Modify time (%) = 0.0579958 (0.0514049)
Other time (%) = 0.0465453 (0.0412557)
Nlocal: 32640 ave 32640 max 32640 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 48220 ave 48220 max 48220 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: 2.22341e+07 ave 2.22341e+07 max 2.22341e+07 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 22234132
Ave neighs/atom = 681.193
Neighbor list builds = 8
Dangerous builds = 0
c4science · Help