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lammps/examples/balance/log.5Oct16.balance.neigh.static.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
balance 1.0 shift x 10 1.0 weight neigh 0.8 # out weighted_var.txt
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
WARNING: Balance weight neigh skipped b/c no list found (../imbalance_neigh.cpp:67)
rebalancing time: 0.00039506 seconds
iteration count = 3
neigh weight factor: 0.8
initial/final max load/proc = 1200 1000
initial/final imbalance factor = 1.2 1
x cuts: 0 0.25 0.5 0.71875 1
y cuts: 0 1
z cuts: 0 1
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 post no
Memory usage per processor = 2.77892 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1 -6.9453205 0 -5.4456955 -5.6812358
50 0.48653399 -6.1788509 0 -5.4492324 -1.6017778
100 0.53411175 -6.249885 0 -5.4489177 -1.9317606
150 0.53646658 -6.2527206 0 -5.4482219 -1.9689568
200 0.54551611 -6.2656326 0 -5.4475631 -2.0042104
250 0.54677719 -6.2671162 0 -5.4471555 -2.0015995
Loop time of 1.41104 on 4 procs for 250 steps with 4000 atoms
98.7% CPU use with 4 MPI tasks x no OpenMP threads
balance 1.0 shift x 10 1.0 weight neigh 0.8
rebalancing time: 0.000409126 seconds
iteration count = 10
neigh weight factor: 0.8
initial/final max load/proc = 220132 125739
initial/final imbalance factor = 1.75833 1.00436
x cuts: 0 0.304443 0.450928 0.626678 1
y cuts: 0 1
z cuts: 0 1
run 250 post no
Memory usage per processor = 2.78273 Mbytes
Step Temp E_pair E_mol TotEng Press
250 0.54677719 -6.2671162 0 -5.4471555 -2.0015995
300 0.5477618 -6.2678071 0 -5.4463698 -1.997842
350 0.55600296 -6.2801497 0 -5.4463538 -2.0394056
400 0.53241503 -6.2453665 0 -5.4469436 -1.878594
450 0.5439158 -6.2623 0 -5.4466302 -1.9744161
500 0.55526241 -6.2793396 0 -5.4466542 -2.0595015
Loop time of 1.06236 on 4 procs for 250 steps with 4000 atoms
99.4% CPU use with 4 MPI tasks x no OpenMP threads
balance 1.0 shift x 10 1.0 weight neigh 0.8
rebalancing time: 0.000265121 seconds
iteration count = 10
neigh weight factor: 0.8
initial/final max load/proc = 147109 128929
initial/final imbalance factor = 1.14487 1.00338
x cuts: 0 0.304873 0.449926 0.59527 1
y cuts: 0 1
z cuts: 0 1
run 250 post no
Memory usage per processor = 2.7999 Mbytes
Step Temp E_pair E_mol TotEng Press
500 0.55526241 -6.2793396 0 -5.4466542 -2.0595015
550 0.53879347 -6.2554274 0 -5.4474393 -1.9756834
600 0.54275982 -6.2616799 0 -5.4477437 -1.9939993
650 0.54526651 -6.265098 0 -5.4474027 -2.0303672
700 0.54369381 -6.263201 0 -5.4478642 -1.9921967
750 0.54452777 -6.2640839 0 -5.4474964 -1.9658675
Loop time of 1.02794 on 4 procs for 250 steps with 4000 atoms
99.6% CPU use with 4 MPI tasks x no OpenMP threads
balance 1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
rebalancing time: 0.000314951 seconds
iteration count = 10
neigh weight factor: 0.8
time weight factor: 0.6
initial/final max load/proc = 109.37 93.2369
initial/final imbalance factor = 1.17599 1.00252
x cuts: 0 0.31323 0.448651 0.560211 1
y cuts: 0 1
z cuts: 0 1
run 250
Memory usage per processor = 2.7999 Mbytes
Step Temp E_pair E_mol TotEng Press
750 0.54452777 -6.2640839 0 -5.4474964 -1.9658675
800 0.55061744 -6.2725556 0 -5.4468359 -2.0100922
850 0.55371614 -6.2763992 0 -5.4460326 -2.0065329
900 0.54756622 -6.2668303 0 -5.4456863 -1.9796122
950 0.54791593 -6.2673161 0 -5.4456477 -1.9598278
1000 0.54173198 -6.2586101 0 -5.4462153 -1.9007466
Loop time of 1.0482 on 4 procs for 250 steps with 4000 atoms
Performance: 103033.455 tau/day, 238.503 timesteps/s
99.4% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.59706 | 0.65768 | 0.71098 | 5.8 | 62.74
Neigh | 0.094988 | 0.17834 | 0.28455 | 19.8 | 17.01
Comm | 0.057361 | 0.20341 | 0.34531 | 28.7 | 19.41
Output | 0.00013709 | 0.00020045 | 0.0002768 | 0.4 | 0.02
Modify | 0.0016088 | 0.0032223 | 0.0052993 | 2.8 | 0.31
Other | | 0.005343 | | | 0.51
Nlocal: 1000 ave 1684 max 506 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Nghost: 8706.25 ave 10207 max 7655 min
Histogram: 1 1 0 0 0 1 0 0 0 1
Neighs: 150170 ave 163204 max 140236 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Total # of neighbors = 600681
Ave neighs/atom = 150.17
Neighbor list builds = 25
Dangerous builds = 0
balance 1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6
rebalancing time: 0.000258207 seconds
iteration count = 10
neigh weight factor: 0.8
time weight factor: 0.6
initial/final max load/proc = 96.6033 94.7484
initial/final imbalance factor = 1.0231 1.00345
x cuts: 0 0.315478 0.450068 0.579538 1
y cuts: 0 1
z cuts: 0 1
run 250
Memory usage per processor = 2.7999 Mbytes
Step Temp E_pair E_mol TotEng Press
1000 0.54173198 -6.2586101 0 -5.4462153 -1.9007466
1050 0.54629742 -6.2657526 0 -5.4465113 -1.945821
1100 0.55427881 -6.2781733 0 -5.446963 -2.0021027
1150 0.54730654 -6.267257 0 -5.4465025 -1.9420678
1200 0.5388281 -6.2547963 0 -5.4467562 -1.890178
1250 0.54848768 -6.2694237 0 -5.4468979 -1.9636797
Loop time of 1.02694 on 4 procs for 250 steps with 4000 atoms
Performance: 105166.691 tau/day, 243.441 timesteps/s
99.6% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.6025 | 0.64932 | 0.70125 | 5.6 | 63.23
Neigh | 0.093299 | 0.17549 | 0.27782 | 19.3 | 17.09
Comm | 0.05188 | 0.19352 | 0.31909 | 28.5 | 18.84
Output | 0.00022793 | 0.00024354 | 0.00027609 | 0.1 | 0.02
Modify | 0.0016394 | 0.0032356 | 0.0052338 | 2.8 | 0.32
Other | | 0.005129 | | | 0.50
Nlocal: 1000 ave 1659 max 494 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Nghost: 8646.75 ave 9782 max 7837 min
Histogram: 1 1 0 0 0 1 0 0 0 1
Neighs: 149995 ave 165511 max 134186 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Total # of neighbors = 599979
Ave neighs/atom = 149.995
Neighbor list builds = 25
Dangerous builds = 0
Total wall time: 0:00:05
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