Homec4science
Diffusion lammps (lammm-devel) Browse

lammps/examples/balance/log.5Oct16.balance.g++.4
493873fb933dlammm-devel

Last Change
Raw File

log.5Oct16.balance.g++.4
View Options

LAMMPS (5 Oct 2016)
# 2d circle of particles inside a box with LJ walls
variable b index 0
variable x index 50
variable y index 20
variable d index 20
variable v index 5
variable w index 2
units lj
dimension 2
atom_style atomic
boundary f f p
lattice hex 0.85
Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
region box block 0 $x 0 $y -0.5 0.5
region box block 0 50 0 $y -0.5 0.5
region box block 0 50 0 20 -0.5 0.5
create_box 1 box
Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
2 by 2 by 1 MPI processor grid
region circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
region circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
region circle sphere 11 6.7735026918962581988 0.0 10
create_atoms 1 region circle
Created 361 atoms
mass 1 1.0
velocity all create 0.5 87287 loop geom
velocity all set $v $w 0 sum yes
velocity all set 5 $w 0 sum yes
velocity all set 5 2 0 sum yes
pair_style lj/cut 2.5
pair_coeff 1 1 10.0 1.0 2.5
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 1 all nve
fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5
comm_style tiled
fix 10 all balance 50 0.9 rcb
#compute 1 all property/atom proc
#variable p atom c_1%10
#dump 2 all custom 50 tmp.dump id v_p x y z
#dump 3 all image 50 image.*.jpg v_p type # adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
#variable colors string # "red green blue yellow white # purple pink orange lime gray"
#dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors}
thermo_style custom step temp epair press f_10[3] f_10
thermo 100
run 10000
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 2.8
ghost atom cutoff = 2.8
binsize = 1.4 -> bins = 42 29 1
Memory usage per processor = 2.48839 Mbytes
Step Temp E_pair Press f_10[3] f_10
0 25.701528 -29.143179 -1.2407285 3.2354571 1.0526316
100 26.269576 -29.713313 7.9052334 1.2742382 1.0304709
200 26.368336 -29.809962 1.6412462 1.2520776 1.0083102
300 26.479082 -29.920083 2.3678653 1.2299169 1.0193906
400 26.522239 -29.965537 6.6787858 1.1855956 1.0083102
500 25.725591 -29.168034 0.67065285 1.2520776 1.0083102
600 26.247693 -29.692706 7.9887712 1.3074792 1.0083102
700 26.237368 -29.676926 1.5987214 1.2409972 1.0083102
800 25.889643 -29.431589 4.6160859 1.2631579 1.0083102
900 23.635295 -27.372963 9.029962 1.1634349 1.0083102
1000 22.571904 -25.87422 1.8936085 1.1301939 1.0193906
1100 17.493795 -21.447274 9.502619 1.0858726 1.0193906
1200 17.214458 -20.726965 6.3578918 1.0304709 1.0193906
1300 16.42404 -19.757268 3.9028429 1.1191136 1.0083102
1400 15.012286 -18.095045 1.7699868 1.0858726 1.0193906
1500 13.853156 -16.929243 1.0730365 1.0858726 1.0193906
1600 13.655251 -16.659753 2.1723498 1.0747922 1.0083102
1700 12.675328 -15.550697 1.8710911 1.0415512 1.0193906
1800 12.657349 -15.825827 1.9350712 1.0193906 1.0193906
1900 12.857141 -15.773 1.7624119 1.0193906 1.0304709
2000 11.856547 -14.727128 1.7186493 1.1080332 1.0083102
2100 12.113322 -14.953592 1.4400251 1.0415512 1.0193906
2200 11.545208 -14.363826 1.1597272 1.0969529 1.0083102
2300 11.433966 -14.302533 1.5537689 1.0969529 1.0083102
2400 11.577739 -14.385288 1.3175128 1.0526316 1.0193906
2500 11.308903 -14.130976 1.0372 1.0304709 1.0193906
2600 11.03881 -13.846505 1.498497 1.0304709 1.0083102
2700 10.70089 -13.790867 1.4450907 1.0637119 1.0083102
2800 10.805792 -13.563219 1.2192081 1.0415512 1.0083102
2900 10.421157 -13.168851 1.402862 1.0304709 1.0083102
3000 10.400588 -13.097548 1.0337744 1.0526316 1.0083102
3100 10.358923 -13.069844 0.90449608 1.0637119 1.0304709
3200 10.006549 -12.712754 1.2690601 1.0415512 1.0083102
3300 9.6601046 -12.398878 0.9892202 1.0193906 1.0083102
3400 9.8691691 -12.644347 1.0763164 1.0526316 1.0193906
3500 9.4257858 -12.095325 1.3422009 1.0747922 1.0193906
3600 9.8117461 -12.559789 1.0175443 1.0415512 1.0083102
3700 9.1821286 -11.849911 1.4515013 1.0415512 1.0083102
3800 9.3099882 -12.081373 0.90072272 1.0193906 1.0193906
3900 9.478143 -12.141401 1.0850242 1.0193906 1.0083102
4000 9.2104886 -11.866265 0.69822096 1.0304709 1.0083102
4100 8.8886161 -11.56296 0.89116764 1.0083102 1.0083102
4200 8.7477884 -11.435867 1.155131 1.0415512 1.0083102
4300 8.8404671 -11.475073 0.73376033 1.0193906 1.0083102
4400 9.0720052 -11.722172 1.1153459 1.0193906 1.0193906
4500 8.4943391 -11.10353 0.98158121 1.0304709 1.0193906
4600 8.6208392 -11.25783 0.52722218 1.0304709 1.0304709
4700 8.355727 -10.974506 0.9215792 1.0526316 1.0083102
4800 7.9464294 -10.531082 0.96217105 1.0193906 1.0193906
4900 8.1538037 -10.74077 0.93322839 1.0526316 1.0083102
5000 8.0560766 -10.668117 0.89914093 1.0083102 1.0083102
5100 7.8109289 -10.391977 0.89999269 1.0637119 1.0083102
5200 7.5452618 -10.199853 0.85038647 1.0415512 1.0083102
5300 7.5551774 -10.134568 0.48669864 1.0193906 1.0193906
5400 7.5427574 -10.109261 0.51382249 1.0304709 1.0083102
5500 7.3322385 -9.8794018 0.39341727 1.0304709 1.0193906
5600 7.1576966 -9.7228317 0.49695339 1.0637119 1.0193906
5700 6.9753083 -9.5665538 0.63845281 1.0637119 1.0193906
5800 7.2002518 -9.7545436 0.8869362 1.0304709 1.0083102
5900 6.7877615 -9.4201982 1.150461 1.0415512 1.0083102
6000 7.2316113 -9.7609318 0.56956179 1.0083102 1.0083102
6100 6.8517997 -9.3662525 0.69127091 1.0083102 1.0193906
6200 6.7332571 -9.2601934 0.64092541 1.0747922 1.0193906
6300 7.2653962 -9.812989 1.0089331 1.0415512 1.0193906
6400 6.9924469 -9.5198187 0.50623927 1.0193906 1.0083102
6500 6.7976268 -9.3171977 0.37708413 1.0304709 1.0193906
6600 7.1400261 -9.6453688 0.51672188 1.0415512 1.0193906
6700 7.0874791 -9.6159675 0.23431446 1.0193906 1.0083102
6800 7.0934248 -9.6288017 0.73112796 1.0083102 1.0193906
6900 7.0402806 -9.6881643 0.65441466 1.0193906 1.0193906
7000 6.6077988 -9.1981347 0.81515889 1.0193906 1.0083102
7100 6.6804693 -9.1892523 0.46231433 1.0193906 1.0083102
7200 6.7050761 -9.2536735 0.68422675 1.0083102 1.0083102
7300 6.6980524 -9.2116982 0.77722939 1.0083102 1.0193906
7400 6.9237141 -9.4504319 0.50584321 1.0083102 1.0193906
7500 6.7457236 -9.2517367 0.41774845 1.0193906 1.0083102
7600 6.140572 -8.6271314 0.47012282 1.0193906 1.0193906
7700 6.3154289 -8.8060017 0.30256453 1.0193906 1.0083102
7800 6.4817555 -9.0034539 0.48964815 1.0193906 1.0193906
7900 6.5509105 -9.046808 0.26620539 1.0304709 1.0083102
8000 6.1907919 -8.7009493 0.36431296 1.0193906 1.0083102
8100 6.6773106 -9.1825184 0.63034715 1.0193906 1.0083102
8200 6.3651832 -8.865283 0.41221098 1.0193906 1.0193906
8300 6.5319342 -9.0474918 0.50861431 1.0193906 1.0193906
8400 6.0026097 -8.4829924 0.61261898 1.0304709 1.0193906
8500 6.264053 -8.7484184 0.22150916 1.0193906 1.0193906
8600 6.4822013 -8.9786803 0.79519176 1.0415512 1.0083102
8700 6.1133663 -8.5901382 0.66131133 1.0193906 1.0193906
8800 5.7750595 -8.2366077 0.54475083 1.0415512 1.0193906
8900 5.7948059 -8.2720683 0.66374336 1.0083102 1.0083102
9000 6.0180401 -8.4602116 0.35964058 1.0193906 1.0083102
9100 5.6468037 -8.1226322 0.33562506 1.0083102 1.0083102
9200 6.0286609 -8.4948458 0.81948932 1.0083102 1.0083102
9300 5.3272121 -7.7564142 0.59727196 1.0193906 1.0083102
9400 5.3686107 -7.8108198 0.49158335 1.0193906 1.0083102
9500 5.5578127 -7.9767984 0.54325782 1.0083102 1.0083102
9600 5.3535292 -7.7952435 0.51871219 1.0083102 1.0083102
9700 5.2229146 -7.6572219 0.82526944 1.0193906 1.0193906
9800 5.5316834 -7.9694409 -0.06268606 1.0193906 1.0083102
9900 5.3195142 -7.7834343 0.98223661 1.0083102 1.0083102
10000 5.4133458 -7.8543365 0.23338829 1.0304709 1.0083102
Loop time of 0.41562 on 4 procs for 10000 steps with 361 atoms
Performance: 10394107.789 tau/day, 24060.435 timesteps/s
98.5% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.061998 | 0.074455 | 0.095533 | 4.7 | 17.91
Neigh | 0.065831 | 0.070617 | 0.081226 | 2.4 | 16.99
Comm | 0.11365 | 0.14064 | 0.16052 | 5.3 | 33.84
Output | 0.0021498 | 0.0023028 | 0.0026829 | 0.5 | 0.55
Modify | 0.040329 | 0.04214 | 0.043329 | 0.5 | 10.14
Other | | 0.08546 | | | 20.56
Nlocal: 90.25 ave 91 max 90 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost: 22 ave 25 max 18 min
Histogram: 1 0 0 0 1 0 0 0 1 1
Neighs: 252.75 ave 342 max 132 min
Histogram: 1 0 0 1 0 0 0 0 0 2
Total # of neighbors = 1011
Ave neighs/atom = 2.80055
Neighbor list builds = 3495
Dangerous builds = 0
Total wall time: 0:00:00
c4science · Help