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lammps/examples/balance/log.5Oct16.balance.group.dynamic.g++.4
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LAMMPS (5 Oct 2016)
# 3d Lennard-Jones melt
units lj
atom_style atomic
processors * 1 1
variable factor index 1.0
lattice fcc 0.8442
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
region box block 0 10 0 10 0 10
create_box 3 box
Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
4 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 4000 atoms
mass * 1.0
region long block 3 6 0 10 0 10
set region long type 2
1400 settings made for type
velocity all create 1.0 87287
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5
pair_coeff * 2 1.0 1.0 5.0
neighbor 0.3 bin
neigh_modify every 2 delay 4 check yes
group fast type 1
2600 atoms in group fast
group slow type 2
1400 atoms in group slow
balance 1.0 shift x 5 1.1 weight group 2 fast 1.0 slow ${factor} # out weighted.txt
balance 1.0 shift x 5 1.1 weight group 2 fast 1.0 slow 1.0
Neighbor list info ...
1 neighbor list requests
update every 2 steps, delay 4 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.3
ghost atom cutoff = 5.3
binsize = 2.65 -> bins = 7 7 7
rebalancing time: 0.000472069 seconds
iteration count = 2
group weights: fast=1 slow=1
initial/final max load/proc = 1200 1200
initial/final imbalance factor = 1.2 1.2
x cuts: 0 0.25 0.5 0.6875 1
y cuts: 0 1
z cuts: 0 1
fix 0 all balance 10 1.0 shift x 5 1.1 weight group 2 fast 1.0 slow ${factor}
fix 0 all balance 10 1.0 shift x 5 1.1 weight group 2 fast 1.0 slow 1.0
fix 1 all nve
#dump id all atom 50 dump.melt
#dump 2 all image 25 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30
#dump_modify 2 pad 3
#dump 3 all movie 25 movie.mpg type type # axes yes 0.8 0.02 view 60 -30
#dump_modify 3 pad 3
thermo 50
run 250
Memory usage per processor = 2.9192 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1 -6.9453205 0 -5.4456955 -5.6812358 4738.2137
50 0.48653399 -6.1788509 0 -5.4492324 -1.6017778 4738.2137
100 0.53411175 -6.249885 0 -5.4489177 -1.9317606 4738.2137
150 0.53646658 -6.2527206 0 -5.4482219 -1.9689568 4738.2137
200 0.54551611 -6.2656326 0 -5.4475631 -2.0042104 4738.2137
250 0.54677719 -6.2671162 0 -5.4471555 -2.0015995 4738.2137
Loop time of 1.40299 on 4 procs for 250 steps with 4000 atoms
Performance: 76978.657 tau/day, 178.191 timesteps/s
99.0% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.22572 | 0.65681 | 1.1571 | 45.2 | 46.82
Neigh | 0.16769 | 0.18555 | 0.20139 | 3.0 | 13.23
Comm | 0.033973 | 0.55042 | 0.99983 | 51.1 | 39.23
Output | 0.00012207 | 0.00013012 | 0.00014353 | 0.1 | 0.01
Modify | 0.0053966 | 0.0054266 | 0.0054569 | 0.0 | 0.39
Other | | 0.004645 | | | 0.33
Nlocal: 1000 ave 1001 max 999 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Nghost: 8727 ave 8761 max 8674 min
Histogram: 1 0 0 0 0 0 1 1 0 1
Neighs: 149349 ave 260848 max 51191 min
Histogram: 1 1 0 0 0 0 1 0 0 1
Total # of neighbors = 597396
Ave neighs/atom = 149.349
Neighbor list builds = 25
Dangerous builds = 0
Total wall time: 0:00:01
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