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lammps/examples/balance/log.balance.bond.fast.21Jan15.linux.4
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LAMMPS (20 Jan 2015)
# 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 bond
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 bond/types 1 extra/bond/per/atom 6
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
bond_style harmonic
bond_coeff 1 10.0 1.2
# need to preserve 1-3, 1-4 pairwise interactions during hard collisions
special_bonds lj/coul 0 1 1
0 = max # of 1-2 neighbors
1 = max # of special neighbors
create_bonds all all 1 1.0 1.5
Added 1014 bonds, new total = 1014
6 = max # of 1-2 neighbors
6 = max # of special neighbors
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
comm_modify cutoff 5.0
fix 10 all balance 50 0.9 rcb
#compute 1 all property/atom proc
#variable p atom (c_1%10)+1
#dump 2 all custom 50 tmp.dump id v_p x y z
#dump 3 all image 200 image.*.jpg v_p type bond atom 0.25 # 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
Memory usage per processor = 4.49417 Mbytes
Step Temp E_pair Press 10[3] 10
0 25.701528 -2.2032569 3.1039469 3.2354571 1.0526316
100 27.623422 -6.228166 2.6542136 1.2631579 1.0083102
200 33.35302 -15.746749 3.2018248 1.2963989 1.0193906
300 39.17734 -24.1557 4.9116986 1.2963989 1.0193906
400 41.660701 -27.615203 8.6214674 1.3518006 1.0083102
500 37.155014 -24.097047 3.2656265 1.3296399 1.0193906
600 35.067719 -21.53529 2.3617122 1.3296399 1.0083102
700 36.797606 -22.272819 4.1085032 1.3739612 1.0083102
800 38.930342 -24.864401 4.7625466 1.3296399 1.0083102
900 38.730963 -25.045492 3.5573709 1.3961219 1.0193906
1000 38.984871 -26.014244 5.5553204 1.3074792 1.0083102
1100 35.866405 -24.460824 4.4136958 1.1745152 1.0304709
1200 31.856499 -21.327208 4.8683292 1.2299169 1.0083102
1300 30.644325 -20.323116 7.9280951 1.1412742 1.0193906
1400 31.741624 -21.112623 4.3143446 1.0969529 1.0083102
1500 27.833154 -16.776664 1.2660178 1.1301939 1.0193906
1600 26.34891 -15.593189 0.058681042 1.1191136 1.0193906
1700 24.885178 -14.001838 1.3274486 1.1080332 1.0193906
1800 26.427047 -14.569617 0.72975905 1.1301939 1.0304709
1900 25.381784 -13.64581 0.81944943 1.1301939 1.0193906
2000 25.723386 -13.333268 1.4334528 1.1301939 1.0193906
2100 26.606752 -13.0949 1.2989863 1.1634349 1.0083102
2200 26.509512 -13.387688 1.1167579 1.1523546 1.0193906
2300 25.639992 -13.179846 2.2501322 1.1745152 1.0083102
2400 26.150503 -13.491713 0.76868673 1.2188366 1.0083102
2500 25.972499 -12.063864 0.34516973 1.1412742 1.0083102
2600 25.486036 -12.940458 0.76199757 1.1412742 1.0193906
2700 26.230132 -13.652341 1.7338723 1.1745152 1.0304709
2800 25.772724 -14.463605 2.8585269 1.0969529 1.0083102
2900 25.103016 -13.919596 2.2930476 1.0083102 1.0193906
3000 24.01254 -12.717424 0.47774495 1.0304709 1.0193906
3100 20.736549 -10.890076 -0.98873052 1.1191136 1.0193906
3200 19.941553 -10.018251 -0.99096631 1.0969529 1.0083102
3300 21.873239 -10.239556 -0.3143815 1.0747922 1.0193906
3400 22.862231 -9.8339225 0.26144526 1.0858726 1.0083102
3500 25.147981 -10.880207 1.4798766 1.1080332 1.0193906
3600 25.180896 -11.622133 0.77173223 1.0747922 1.0083102
3700 23.556788 -11.299634 0.55954881 1.0858726 1.0083102
3800 22.493407 -10.659886 0.11815461 1.0747922 1.0083102
3900 21.039439 -10.814837 -1.1505917 1.0969529 1.0083102
4000 21.595234 -9.5907841 -0.18492957 1.0526316 1.0083102
4100 22.241581 -10.021155 -0.45382989 1.0526316 1.0193906
4200 22.580958 -9.424629 1.2640842 1.0858726 1.0083102
4300 23.254321 -10.231677 1.4385745 1.0747922 1.0083102
4400 22.155518 -10.378937 -0.25935415 1.0858726 1.0083102
4500 21.786702 -9.9697581 -0.38862549 1.1634349 1.0193906
4600 21.483407 -9.8450983 0.1027055 1.0858726 1.0083102
4700 22.049222 -10.118926 0.042422718 1.0747922 1.0083102
4800 22.278153 -10.189539 -0.16842442 1.1191136 1.0193906
4900 23.783566 -10.754126 0.25570457 1.0637119 1.0193906
5000 22.996999 -10.035746 2.0164077 1.0526316 1.0083102
5100 22.291983 -10.132069 -0.59577654 1.0858726 1.0083102
5200 21.988363 -9.4430094 0.59736801 1.1191136 1.0193906
5300 20.725686 -9.6416497 -0.23784458 1.0969529 1.0083102
5400 23.294636 -9.85156 0.86168288 1.0747922 1.0083102
5500 22.426116 -10.090518 0.43379868 1.0526316 1.0193906
5600 24.100731 -10.615051 0.21676601 1.1080332 1.0083102
5700 22.767374 -10.461632 0.50164522 1.0858726 1.0193906
5800 21.665039 -9.4705485 0.10158023 1.1080332 1.0193906
5900 23.754335 -9.8103385 0.82641206 1.0637119 1.0083102
6000 23.764263 -10.822225 0.0086706095 1.0637119 1.0193906
6100 23.061093 -10.66149 0.64615841 1.0858726 1.0193906
6200 23.231721 -11.326359 0.97854607 1.0526316 1.0193906
6300 22.063301 -10.866822 0.57761463 1.0304709 1.0083102
6400 21.893824 -9.9403304 1.3271195 1.0304709 1.0083102
6500 21.819506 -10.378298 -0.13622266 1.0858726 1.0083102
6600 23.585267 -10.859164 1.2332959 1.0415512 1.0083102
6700 23.929532 -11.205031 0.14390049 1.0415512 1.0193906
6800 22.94314 -11.233426 0.32383955 1.1301939 1.0083102
6900 23.734174 -10.111417 0.21771857 1.0415512 1.0083102
7000 22.628793 -9.9941906 -0.92631583 1.0747922 1.0083102
7100 21.490557 -8.6579625 -0.07159052 1.0526316 1.0193906
7200 21.927094 -9.528413 -0.3508067 1.0193906 1.0083102
7300 21.943432 -9.9866332 0.3033917 1.0415512 1.0193906
7400 24.43301 -10.32538 1.0510565 1.0415512 1.0193906
7500 23.463108 -10.582478 -0.22352118 1.1191136 1.0193906
7600 21.46269 -9.216786 -0.33836008 1.0747922 1.0083102
7700 21.319723 -9.2120009 -0.59833641 1.1301939 1.0083102
7800 22.097084 -10.093375 -0.87261682 1.0526316 1.0304709
7900 23.186493 -9.8320314 -0.021894508 1.0858726 1.0083102
8000 24.449738 -10.441875 1.3850788 1.1412742 1.0193906
8100 22.766547 -10.411191 0.24146571 1.0747922 1.0083102
8200 21.630901 -9.8179811 -0.53917965 1.0304709 1.0083102
8300 22.453992 -9.1084537 0.57116298 1.0747922 1.0083102
8400 22.199214 -9.4209101 0.070865332 1.1301939 1.0083102
8500 22.198633 -9.4525954 0.34217625 1.1191136 1.0083102
8600 23.984248 -11.161067 0.51361855 1.0637119 1.0083102
8700 24.263363 -11.839759 0.13644863 1.0747922 1.0193906
8800 23.289118 -9.8009851 0.91489484 1.0526316 1.0304709
8900 24.143641 -10.312225 0.081112692 1.0415512 1.0083102
9000 23.111923 -10.40996 -0.47374519 1.0637119 1.0083102
9100 21.863926 -10.475378 0.062392283 1.0747922 1.0193906
9200 23.441607 -10.205203 0.49831793 1.1412742 1.0193906
9300 22.795416 -10.01578 0.099598266 1.0193906 1.0083102
9400 23.540787 -10.811556 0.19109305 1.0747922 1.0193906
9500 22.438597 -10.140651 0.52944782 1.0304709 1.0193906
9600 23.513188 -10.956581 1.474452 1.0969529 1.0083102
9700 22.958673 -11.158105 -0.061358964 1.1523546 1.0193906
9800 22.989978 -10.461202 -0.11504011 1.0637119 1.0083102
9900 22.321529 -9.4743506 -0.46174667 1.0969529 1.0083102
10000 21.559071 -9.3390062 -0.24571278 1.0969529 1.0083102
Loop time of 0.721486 on 4 procs for 10000 steps with 361 atoms
Pair time (%) = 0.133076 (18.4448)
Bond time (%) = 0.0595608 (8.25529)
Neigh time (%) = 0.27641 (38.3112)
Comm time (%) = 0.142561 (19.7593)
Outpt time (%) = 0.0016793 (0.232756)
Other time (%) = 0.108199 (14.9967)
Nlocal: 90.25 ave 91 max 89 min
Histogram: 1 0 0 0 0 1 0 0 0 2
Nghost: 121.5 ave 131 max 107 min
Histogram: 1 0 0 0 0 1 0 0 0 2
Neighs: 602.75 ave 680 max 538 min
Histogram: 1 0 0 1 1 0 0 0 0 1
Total # of neighbors = 2411
Ave neighs/atom = 6.67867
Ave special neighs/atom = 5.61773
Neighbor list builds = 4865
Dangerous builds = 0
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