lammps/examples/balance/log.27Nov18.balance.clock.s...

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2018-11-29 03:40:20 +08:00
LAMMPS (27 Nov 2018)
using 1 OpenMP thread(s) per MPI task
# 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)
2 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 4000 atoms
Time spent = 0.000517368 secs
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 time 1.0 # out unweighted.txt
Neighbor list info ...
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
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair lj/cut, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d/newton
bin: standard
rebalancing time: 0.000522375 seconds
iteration count = 1
time weight factor: 1
initial/final max load/proc = 2000 2000
initial/final imbalance factor = 1 1
x cuts: 0 0.5 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
Per MPI rank memory allocation (min/avg/max) = 4.297 | 4.488 | 4.678 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1 -6.9453205 0 -5.4456955 -5.6812358
50 0.49578514 -6.1929216 0 -5.4494298 -1.6668039
100 0.53275389 -6.2475932 0 -5.4486622 -1.9063885
150 0.53316457 -6.2483202 0 -5.4487733 -1.9476162
200 0.536665 -6.2530113 0 -5.448215 -1.933468
250 0.55006273 -6.27163 0 -5.4467422 -2.0438847
Loop time of 1.96356 on 2 procs for 250 steps with 4000 atoms
Performance: 55002.186 tau/day, 127.320 timesteps/s
99.4% CPU use with 2 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.0024 | 1.243 | 1.4835 | 21.6 | 63.30
Neigh | 0.3963 | 0.41601 | 0.43572 | 3.1 | 21.19
Comm | 0.032948 | 0.29324 | 0.55353 | 48.1 | 14.93
Output | 0.00013924 | 0.00014722 | 0.00015521 | 0.0 | 0.01
Modify | 0.0072696 | 0.0073524 | 0.0074351 | 0.1 | 0.37
Other | | 0.003842 | | | 0.20
Nlocal: 2000 ave 2051 max 1949 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost: 10443 ave 10506 max 10380 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs: 298332 ave 363449 max 233215 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Total # of neighbors = 596664
Ave neighs/atom = 149.166
Neighbor list builds = 24
Dangerous builds = 0
balance 1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
rebalancing time: 0.000424623 seconds
iteration count = 3
time weight factor: 1
initial/final max load/proc = 1.91926 1.6972
initial/final imbalance factor = 1.15689 1.02304
x cuts: 0 0.4375 1
y cuts: 0 1
z cuts: 0 1
run 250
Per MPI rank memory allocation (min/avg/max) = 4.681 | 4.683 | 4.685 Mbytes
Step Temp E_pair E_mol TotEng Press
250 0.55006273 -6.27163 0 -5.4467422 -2.0438847
300 0.55111476 -6.2727642 0 -5.4462987 -2.0384873
350 0.55211503 -6.274054 0 -5.4460885 -2.0116976
400 0.54638463 -6.2661715 0 -5.4467995 -1.992248
450 0.55885307 -6.2852263 0 -5.4471563 -2.0669747
500 0.54587069 -6.2662849 0 -5.4476836 -2.0078802
Loop time of 1.84751 on 2 procs for 250 steps with 4000 atoms
Performance: 58457.127 tau/day, 135.317 timesteps/s
99.5% CPU use with 2 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.1214 | 1.2291 | 1.3368 | 9.7 | 66.53
Neigh | 0.37418 | 0.41926 | 0.46434 | 7.0 | 22.69
Comm | 0.033842 | 0.18738 | 0.34091 | 35.5 | 10.14
Output | 0.00016665 | 0.00018752 | 0.00020838 | 0.0 | 0.01
Modify | 0.0062993 | 0.0072798 | 0.0082603 | 1.1 | 0.39
Other | | 0.00428 | | | 0.23
Nlocal: 2000 ave 2284 max 1716 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost: 10450 ave 10742 max 10158 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs: 298063 ave 326003 max 270123 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Total # of neighbors = 596126
Ave neighs/atom = 149.031
Neighbor list builds = 25
Dangerous builds = 0
balance 1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
rebalancing time: 0.000502825 seconds
iteration count = 3
time weight factor: 1
initial/final max load/proc = 1.80118 1.79434
initial/final imbalance factor = 1.0927 1.08854
x cuts: 0 0.507812 1
y cuts: 0 1
z cuts: 0 1
run 250
Per MPI rank memory allocation (min/avg/max) = 4.681 | 4.683 | 4.686 Mbytes
Step Temp E_pair E_mol TotEng Press
500 0.54587069 -6.2662849 0 -5.4476836 -2.0078802
550 0.54137926 -6.2592773 0 -5.4474115 -1.9770236
600 0.54022886 -6.2573307 0 -5.44719 -1.9619637
650 0.54709009 -6.2678862 0 -5.4474562 -1.9958342
700 0.54590044 -6.2656903 0 -5.4470444 -1.9957108
750 0.55098488 -6.2724831 0 -5.4462124 -2.0287523
Loop time of 2.03694 on 2 procs for 250 steps with 4000 atoms
Performance: 53020.655 tau/day, 122.733 timesteps/s
99.3% CPU use with 2 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.92132 | 1.2301 | 1.5389 | 27.8 | 60.39
Neigh | 0.3924 | 0.42313 | 0.45386 | 4.7 | 20.77
Comm | 0.032816 | 0.37246 | 0.71211 | 55.7 | 18.29
Output | 0.00013733 | 0.00014532 | 0.0001533 | 0.0 | 0.01
Modify | 0.0069692 | 0.0072372 | 0.0075052 | 0.3 | 0.36
Other | | 0.003856 | | | 0.19
Nlocal: 2000 ave 2097 max 1903 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost: 10439.5 ave 10561 max 10318 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs: 299628 ave 378859 max 220397 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Total # of neighbors = 599256
Ave neighs/atom = 149.814
Neighbor list builds = 25
Dangerous builds = 0
Total wall time: 0:00:05