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2016-02-15 18:04:59 +00:00
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211
examples/balance/log.15May15.balance.bond.fast.g++.1
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LAMMPS (30 Apr 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)
1 by 1 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
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 10 steps, check yes
master list distance cutoff = 2.8
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 7.5
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 50 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
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 2.8
Memory usage per processor = 4.44301 Mbytes
Step Temp E_pair Press 10[3] 10
0 25.701528 -2.2032569 3.1039469 1 1
100 27.623422 -6.228166 2.6542136 1 1
200 33.35302 -15.746749 3.2018248 1 1
300 39.17734 -24.1557 4.9116986 1 1
400 41.660701 -27.615203 8.6214678 1 1
500 37.154935 -24.096962 3.2656162 1 1
600 35.061294 -21.52655 2.3693223 1 1
700 37.204395 -22.313267 2.7108913 1 1
800 39.050704 -24.972147 5.5398741 1 1
900 38.37275 -24.777769 3.9291488 1 1
1000 39.147816 -26.003699 4.3586203 1 1
1100 36.084337 -24.88638 4.5496174 1 1
1200 32.404559 -20.810803 6.0760128 1 1
1300 32.625538 -19.709411 4.3718289 1 1
1400 32.246777 -18.785184 3.435959 1 1
1500 29.174368 -17.434726 2.2702916 1 1
1600 27.359273 -15.40756 1.033659 1 1
1700 26.046626 -14.318045 0.87714473 1 1
1800 24.540401 -13.017686 0.84464169 1 1
1900 26.259688 -12.777739 0.80954004 1 1
2000 27.491023 -13.363863 1.4519188 1 1
2100 27.839831 -13.709118 3.0184763 1 1
2200 26.669065 -12.710422 1.4560094 1 1
2300 26.86742 -12.730386 0.16986139 1 1
2400 26.375504 -12.476682 1.907352 1 1
2500 26.581263 -12.530908 1.5507765 1 1
2600 27.67091 -12.922702 2.0391206 1 1
2700 27.158784 -13.306789 3.7355268 1 1
2800 25.635671 -13.502047 2.9431633 1 1
2900 24.648357 -12.388002 0.44910075 1 1
3000 22.988768 -10.685349 0.37214853 1 1
3100 21.788719 -10.171928 -0.95734833 1 1
3200 22.707514 -9.6682633 -0.32868418 1 1
3300 22.907772 -10.612766 -0.024319089 1 1
3400 24.276426 -10.802246 0.44731188 1 1
3500 25.086959 -10.797849 2.3218091 1 1
3600 26.064365 -12.589537 1.2460738 1 1
3700 24.656426 -11.956895 0.57862216 1 1
3800 22.316856 -11.174148 -0.7567936 1 1
3900 22.590299 -9.5928781 0.4127727 1 1
4000 22.353461 -9.5887736 -0.34247396 1 1
4100 24.103395 -9.76584 0.98989862 1 1
4200 23.92261 -10.566828 -0.71536268 1 1
4300 24.44409 -11.358378 0.37166197 1 1
4400 24.772419 -11.324888 0.26732853 1 1
4500 23.150748 -11.309892 -0.43134573 1 1
4600 24.008361 -10.212365 0.43277527 1 1
4700 25.107401 -9.5753673 0.020406689 1 1
4800 23.658604 -8.9131426 0.46554745 1 1
4900 22.530251 -9.023311 -0.014405315 1 1
5000 23.110692 -9.6567397 0.9033234 1 1
5100 23.760144 -9.7623416 0.32059726 1 1
5200 25.048012 -9.6748253 0.66411561 1 1
5300 24.09835 -9.7867216 0.61128267 1 1
5400 22.984982 -9.9464053 0.28096544 1 1
5500 22.502003 -9.9294451 -0.53666181 1 1
5600 23.712298 -10.054318 0.64334761 1 1
5700 23.350796 -10.217344 2.1979894 1 1
5800 25.246549 -12.458753 0.055553025 1 1
5900 24.422272 -10.641177 0.82506839 1 1
6000 22.478315 -10.629525 -0.774321 1 1
6100 22.970846 -10.218868 0.59819592 1 1
6200 24.500063 -10.355481 0.55427078 1 1
6300 22.358071 -9.9041539 0.89500518 1 1
6400 23.924951 -11.121442 0.045999129 1 1
6500 24.83773 -10.464191 2.0048038 1 1
6600 24.752158 -9.9939162 0.53794465 1 1
6700 23.073765 -9.3662561 0.38618685 1 1
6800 21.940219 -8.4948475 -0.25184019 1 1
6900 22.23783 -8.8668868 0.0072863367 1 1
7000 25.667836 -10.473211 0.59852886 1 1
7100 23.352123 -9.0862268 0.85289283 1 1
7200 24.072107 -9.4020576 0.090222808 1 1
7300 22.806746 -8.4687857 -0.46892989 1 1
7400 24.798425 -9.1144357 -0.38738146 1 1
7500 24.748499 -9.1560558 0.94929896 1 1
7600 25.364753 -10.176533 0.2649225 1 1
7700 25.137988 -9.6617897 1.3920543 1 1
7800 25.502583 -10.320832 0.64812816 1 1
7900 24.5208 -9.9466543 -0.084071026 1 1
8000 24.653522 -10.312942 0.32535023 1 1
8100 23.129565 -9.6250435 0.016356303 1 1
8200 23.82421 -9.7608023 0.11631418 1 1
8300 25.081262 -9.3510452 0.92337854 1 1
8400 24.328205 -9.2875396 0.28266968 1 1
8500 25.041711 -11.254976 -0.21368615 1 1
8600 24.111473 -9.0389585 1.2102938 1 1
8700 23.50066 -9.0926498 0.78819229 1 1
8800 23.840962 -9.3434474 0.091313007 1 1
8900 23.081841 -9.0635966 0.56672001 1 1
9000 24.712103 -9.3243213 0.60301629 1 1
9100 24.457422 -9.439298 -0.60457515 1 1
9200 25.070662 -9.1945782 1.2399235 1 1
9300 25.019869 -8.7910068 0.42340497 1 1
9400 24.23662 -9.3111098 -0.75379175 1 1
9500 24.836827 -8.7324281 0.81857501 1 1
9600 24.901993 -8.6624128 0.84890877 1 1
9700 24.936686 -8.9869503 1.9627894 1 1
9800 25.393368 -9.8538595 0.45344428 1 1
9900 25.942336 -9.7854728 0.68352091 1 1
10000 24.636319 -9.3369442 0.62793231 1 1
Loop time of 1.65289 on 1 procs for 10000 steps with 361 atoms
Pair time (%) = 0.473286 (28.6338)
Bond time (%) = 0.248249 (15.019)
Neigh time (%) = 0.823633 (49.8297)
Comm time (%) = 0.0119517 (0.723076)
Outpt time (%) = 0.000757694 (0.0458404)
Other time (%) = 0.0950179 (5.74858)
Nlocal: 361 ave 361 max 361 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 2421 ave 2421 max 2421 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 2421
Ave neighs/atom = 6.70637
Ave special neighs/atom = 5.61773
Neighbor list builds = 4937
Dangerous builds = 5

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examples/balance/log.15May15.balance.bond.fast.g++.4
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LAMMPS (30 Apr 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
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 10 steps, check yes
master list distance cutoff = 2.8
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 7.5
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 50 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
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 2.8
Memory usage per processor = 4.49421 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 8.6214679 1.3518006 1.0083102
500 37.154928 -24.096947 3.2656178 1.3296399 1.0193906
600 35.059889 -21.524278 2.3728491 1.3296399 1.0083102
700 36.70511 -21.983922 3.2995382 1.3296399 1.0083102
800 39.544113 -25.668506 4.3051292 1.3961219 1.0083102
900 38.236932 -24.85113 4.4814452 1.3518006 1.0193906
1000 38.175529 -24.820944 4.3661055 1.3850416 1.0193906
1100 35.623824 -24.528094 3.3385336 1.1634349 1.0193906
1200 32.422965 -21.934018 2.8969653 1.2299169 1.0083102
1300 32.618431 -22.373006 5.107919 1.1966759 1.0193906
1400 31.664577 -21.463509 5.3615846 1.0637119 1.0193906
1500 29.454688 -18.680119 1.7753426 1.1191136 1.0193906
1600 27.501727 -14.876138 2.3398643 1.2077562 1.0193906
1700 27.866536 -13.108648 1.2566274 1.1966759 1.0083102
1800 25.972831 -13.376163 0.57902768 1.1080332 1.0083102
1900 26.060814 -13.210919 1.4830041 1.1745152 1.0083102
2000 27.627284 -14.114575 1.5280792 1.1966759 1.0193906
2100 28.313367 -14.925751 1.0274243 1.1634349 1.0193906
2200 28.822411 -15.124962 2.8216534 1.1412742 1.0193906
2300 27.047051 -12.884253 1.0579767 1.1634349 1.0083102
2400 26.519554 -11.630415 1.0674913 1.1191136 1.0304709
2500 26.433921 -11.135254 1.6627039 1.1301939 1.0193906
2600 26.511542 -12.314493 2.6010903 1.1523546 1.0083102
2700 26.717184 -14.585408 2.5713124 1.2077562 1.0083102
2800 23.784413 -13.515392 2.7637551 1.1080332 1.0083102
2900 22.686901 -12.65614 0.23590728 1.0526316 1.0193906
3000 21.989274 -12.037913 -0.12189884 1.0747922 1.0083102
3100 21.459643 -10.838536 -0.13927178 1.0858726 1.0083102
3200 21.447858 -9.5506136 -0.25000948 1.1412742 1.0193906
3300 24.230145 -12.171815 -0.064425349 1.0969529 1.0083102
3400 25.922528 -13.122673 0.91419468 1.0526316 1.0083102
3500 25.953753 -13.159856 2.7631161 1.0637119 1.0193906
3600 23.320567 -12.058859 0.1925114 1.0526316 1.0193906
3700 22.677482 -10.562665 -0.27036923 1.1080332 1.0304709
3800 21.247981 -9.7150135 -0.85944746 1.1634349 1.0193906
3900 22.887899 -9.3023309 0.59683423 1.0969529 1.0083102
4000 22.882827 -10.817154 0.32165908 1.1523546 1.0193906
4100 23.869276 -12.014864 2.0573252 1.0637119 1.0193906
4200 23.935203 -11.819306 2.6640206 1.1191136 1.0304709
4300 22.43275 -10.921626 -0.63687698 1.1080332 1.0083102
4400 22.612491 -9.5707892 0.0010427069 1.0637119 1.0304709
4500 21.932975 -9.8099253 0.15313163 1.0969529 1.0193906
4600 23.237497 -10.25508 0.3714454 1.0415512 1.0304709
4700 22.741047 -10.68051 0.61609134 1.1301939 1.0193906
4800 25.966841 -12.621958 0.59130321 1.0969529 1.0083102
4900 23.023906 -11.458084 0.74539849 1.0637119 1.0083102
5000 23.095396 -11.063844 0.15179661 1.0637119 1.0083102
5100 22.273803 -10.699138 -0.36579473 1.0858726 1.0304709
5200 21.964741 -10.832757 0.40938414 1.0637119 1.0083102
5300 23.622698 -12.019574 0.77511221 1.0969529 1.0304709
5400 24.31985 -11.259647 1.6883945 1.1080332 1.0083102
5500 24.834183 -12.10115 2.0430755 1.0747922 1.0083102
5600 22.791594 -10.789444 0.53857403 1.0969529 1.0083102
5700 22.795446 -11.295696 -0.88274492 1.0415512 1.0083102
5800 22.039383 -10.102102 0.30641309 1.0526316 1.0083102
5900 23.331218 -10.505918 0.79328729 1.0747922 1.0083102
6000 22.977541 -11.176816 0.48467394 1.0637119 1.0083102
6100 23.040526 -11.52354 1.7967085 1.1523546 1.0083102
6200 24.308422 -12.014562 0.52150425 1.0526316 1.0083102
6300 23.61942 -11.408861 1.0102285 1.0637119 1.0193906
6400 23.60983 -11.211355 0.1224836 1.0526316 1.0304709
6500 21.302081 -9.803799 0.57468586 1.1301939 1.0193906
6600 21.612193 -9.1629321 0.72666959 1.1301939 1.0193906
6700 21.302518 -9.4569836 -0.24332121 1.0526316 1.0193906
6800 21.578535 -9.8915724 1.23932 1.0858726 1.0083102
6900 24.126117 -11.162813 0.62542721 1.0526316 1.0083102
7000 22.624861 -10.556037 0.38965332 1.0747922 1.0193906
7100 22.907596 -10.302834 0.6386941 1.0304709 1.0193906
7200 22.974879 -10.675305 0.52408884 1.0304709 1.0083102
7300 22.682799 -10.713299 0.71434829 1.0858726 1.0083102
7400 22.433697 -10.265296 1.1411008 1.0747922 1.0193906
7500 22.980065 -10.19609 1.2115133 1.0747922 1.0083102
7600 22.332841 -10.647313 0.60858161 1.0526316 1.0083102
7700 21.387514 -9.7160718 0.57914542 1.1080332 1.0193906
7800 22.06494 -10.292103 0.94201435 1.0747922 1.0083102
7900 22.414485 -10.360308 0.91178874 1.0193906 1.0193906
8000 22.630872 -10.241613 0.63847707 1.0415512 1.0083102
8100 21.533534 -11.082806 -1.5556566 1.0747922 1.0083102
8200 23.249535 -9.7980665 -0.2334259 1.1080332 1.0193906
8300 22.370005 -10.211296 0.13670361 1.0526316 1.0304709
8400 22.759151 -10.100097 -0.44962752 1.0415512 1.0083102
8500 20.921203 -9.8645137 -0.3917138 1.0637119 1.0193906
8600 21.531483 -9.9426258 -1.2233277 1.0415512 1.0083102
8700 22.487905 -10.52549 -0.6980146 1.0747922 1.0083102
8800 22.664685 -10.776054 0.39148459 1.0969529 1.0083102
8900 22.436035 -10.96073 -0.12250163 1.0637119 1.0083102
9000 23.259319 -11.034259 0.59546689 1.1191136 1.0083102
9100 23.478165 -11.431904 0.43011936 1.0637119 1.0083102
9200 22.395609 -10.892037 0.49834247 1.0747922 1.0193906
9300 23.146971 -10.457726 1.1898306 1.0637119 1.0193906
9400 23.479977 -11.222082 0.18802396 1.0193906 1.0083102
9500 23.777499 -11.390102 0.55777057 1.0304709 1.0083102
9600 23.526537 -10.48368 1.7240638 1.0526316 1.0193906
9700 23.217989 -10.430903 0.59760013 1.0526316 1.0083102
9800 21.778641 -10.236025 -0.47728369 1.0969529 1.0193906
9900 21.907179 -9.3049478 0.063666578 1.0415512 1.0193906
10000 22.826325 -10.154072 0.57983512 1.0858726 1.0193906
Loop time of 0.83739 on 4 procs for 10000 steps with 361 atoms
Pair time (%) = 0.134644 (16.079)
Bond time (%) = 0.0604264 (7.21604)
Neigh time (%) = 0.299745 (35.7952)
Comm time (%) = 0.215892 (25.7815)
Outpt time (%) = 0.00196391 (0.234528)
Other time (%) = 0.124719 (14.8938)
Nlocal: 90.25 ave 92 max 88 min
Histogram: 1 0 0 0 0 1 0 1 0 1
Nghost: 195.75 ave 203 max 179 min
Histogram: 1 0 0 0 0 0 0 0 1 2
Neighs: 638 ave 733 max 552 min
Histogram: 1 1 0 0 0 0 0 1 0 1
Total # of neighbors = 2552
Ave neighs/atom = 7.06925
Ave special neighs/atom = 5.61773
Neighbor list builds = 4898
Dangerous builds = 0

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examples/balance/log.15May15.balance.bond.slow.g++.1
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LAMMPS (30 Apr 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
# careful not to slam into wall too hard
variable v index 0.3
variable w index 0.08
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)
1 by 1 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 0.3 $w 0 sum yes
velocity all set 0.3 0.08 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
create_bonds all all 1 1.0 1.5
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 10 steps, check yes
master list distance cutoff = 2.8
Added 1014 bonds, new total = 1014
6 = max # of 1-2 neighbors
30 = max # of 1-3 neighbors
180 = max # of 1-4 neighbors
36 = 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
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 40000
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 2.8
Memory usage per processor = 6.31529 Mbytes
Step Temp E_pair Press 10[3] 10
0 0.57437856 0 0.26099453 1 1
100 0.29756515 0 0.10149401 1 1
200 0.35394813 0 0.075159099 1 1
300 0.39245849 0 0.033002384 1 1
400 0.34078347 0 -0.020825841 1 1
500 0.35201095 0 -0.062637506 1 1
600 0.34014717 0 -0.11122965 1 1
700 0.3323524 0 -0.11598015 1 1
800 0.35116047 0 -0.096162395 1 1
900 0.35695352 0 -0.01385176 1 1
1000 0.36986539 0 0.056772858 1 1
1100 0.34584644 0 0.084941323 1 1
1200 0.31921435 0 0.10545078 1 1
1300 0.32952819 0 0.124902 1 1
1400 0.34497365 0 0.12662081 1 1
1500 0.33429243 0 0.096230972 1 1
1600 0.33765387 0 0.025800542 1 1
1700 0.35134464 0 -0.04422593 1 1
1800 0.35003859 0 -0.096745576 1 1
1900 0.33839618 0 -0.095465943 1 1
2000 0.33732078 0 -0.094652802 1 1
2100 0.34552238 0 -0.076729261 1 1
2200 0.34893142 0 -0.036853228 1 1
2300 0.35379341 0 0.021124847 1 1
2400 0.34829744 0 0.09230184 1 1
2500 0.33038141 0 0.1399855 1 1
2600 0.30983019 0 0.12754742 1 1
2700 0.32992561 0 0.10485138 1 1
2800 0.34604747 0 0.066174138 1 1
2900 0.3444791 0 0.036590652 1 1
3000 0.34721342 0 -0.023793368 1 1
3100 0.33404314 0 -0.08374223 1 1
3200 0.33019355 0 -0.12715599 1 1
3300 0.33515177 0 -0.12217394 1 1
3400 0.33628481 0 -0.070877624 1 1
3500 0.34257038 0 -0.021612062 1 1
3600 0.32838009 0 0.030131228 1 1
3700 0.34462142 0 0.074586378 1 1
3800 0.30891825 0 0.10605673 1 1
3900 0.33847951 0 0.13956139 1 1
4000 0.32952079 0 0.12688129 1 1
4100 0.32646772 0 0.081089042 1 1
4200 0.35399503 0 0.013422873 1 1
4300 0.33154914 0 -0.050919508 1 1
4400 0.34113556 0 -0.083171 1 1
4500 0.32651708 0 -0.1063133 1 1
4600 0.34359609 0 -0.1076395 1 1
4700 0.34973537 0 -0.088231606 1 1
4800 0.35198515 0 -0.020901044 1 1
4900 0.35187284 0 0.043645941 1 1
5000 0.34887336 0 0.095698609 1 1
5100 0.30308163 0 0.11649328 1 1
5200 0.32401285 0 0.12072411 1 1
5300 0.33025072 0 0.10933161 1 1
5400 0.33288012 0 0.078356448 1 1
5500 0.35142492 0 0.036958063 1 1
5600 0.35125368 0 -0.041371343 1 1
5700 0.34547744 0 -0.096450846 1 1
5800 0.30939887 0 -0.12356656 1 1
5900 0.32315628 0 -0.11338676 1 1
6000 0.34117485 0 -0.066198961 1 1
6100 0.35298043 0 -0.016172816 1 1
6200 0.35130653 0 0.027660468 1 1
6300 0.35398766 0 0.087221238 1 1
6400 0.30963379 0 0.11990957 1 1
6500 0.3174541 0 0.14103528 1 1
6600 0.31989791 0 0.11575506 1 1
6700 0.33811477 0 0.060747353 1 1
6800 0.3424043 0 0.010357152 1 1
6900 0.34804319 0 -0.042621786 1 1
7000 0.35357865 0 -0.067248959 1 1
7100 0.33556885 0 -0.10983726 1 1
7200 0.33531101 0 -0.112179 1 1
7300 0.35742607 0 -0.078405267 1 1
7400 0.34577559 0 -0.01985432 1 1
7500 0.3498641 0 0.052289439 1 1
7600 0.33773715 0 0.092939035 1 1
7700 0.33093497 0 0.11924405 1 1
7800 0.31435814 0 0.12701724 1 1
7900 0.33132217 0 0.10793075 1 1
8000 0.33451798 0 0.077993125 1 1
8100 0.35188371 0 0.019929977 1 1
8200 0.33645742 0 -0.039302079 1 1
8300 0.3415632 0 -0.098067982 1 1
8400 0.30619282 0 -0.12952879 1 1
8500 0.34446484 0 -0.098084709 1 1
8600 0.33761673 0 -0.07069818 1 1
8700 0.34495452 0 -0.022458056 1 1
8800 0.33502983 0 0.027742411 1 1
8900 0.35418591 0 0.092390134 1 1
9000 0.31648387 0 0.12467398 1 1
9100 0.33994825 0 0.14460327 1 1
9200 0.33822571 0 0.11273284 1 1
9300 0.33260773 0 0.060063671 1 1
9400 0.36140305 0 0.021427642 1 1
9500 0.34273562 0 -0.034064202 1 1
9600 0.33867054 0 -0.089076906 1 1
9700 0.32088235 0 -0.12027075 1 1
9800 0.3320823 0 -0.11602794 1 1
9900 0.33916442 0 -0.080281044 1 1
10000 0.34852268 0 -0.01000914 1 1
10100 0.32955942 0 0.04258493 1 1
10200 0.34487898 0 0.086971308 1 1
10300 0.32325593 0 0.11558149 1 1
10400 0.30927871 0 0.12239437 1 1
10500 0.33176799 0 0.12285937 1 1
10600 0.35120027 0 0.084897432 1 1
10700 0.33129697 0 0.0053089279 1 1
10800 0.36028769 0 -0.04280715 1 1
10900 0.35552287 0 -0.084955999 1 1
11000 0.3406024 0 -0.096554577 1 1
11100 0.33041202 0 -0.10703492 1 1
11200 0.32442686 0 -0.084328121 1 1
11300 0.35952468 0 -0.020191965 1 1
11400 0.34610624 0 0.03440148 1 1
11500 0.3415612 0 0.1041929 1 1
11600 0.34040042 0 0.13215705 1 1
11700 0.33555094 0 0.12738686 1 1
11800 0.3458647 0 0.10963398 1 1
11900 0.33836678 0 0.067253864 1 1
12000 0.34853314 0 0.03201448 1 1
12100 0.34600048 0 -0.034833402 1 1
12200 0.33145631 0 -0.09865675 1 1
12300 0.32848884 0 -0.1248489 1 1
12400 0.3321344 0 -0.11266575 1 1
12500 0.32622305 0 -0.061634993 1 1
12600 0.36213537 0 -0.0090593315 1 1
12700 0.34673866 0 0.036734645 1 1
12800 0.34606618 0 0.086267678 1 1
12900 0.34271431 0 0.12415522 1 1
13000 0.31993287 0 0.13879926 1 1
13100 0.3422918 0 0.11978905 1 1
13200 0.33055236 0 0.062620483 1 1
13300 0.34652207 0 0.0043833459 1 1
13400 0.33574661 0 -0.04691024 1 1
13500 0.33940837 0 -0.074241604 1 1
13600 0.32093414 0 -0.1078027 1 1
13700 0.34336597 0 -0.10544097 1 1
13800 0.35806461 0 -0.072531559 1 1
13900 0.35209713 0 -0.018851408 1 1
14000 0.35702629 0 0.061046366 1 1
14100 0.33234093 0 0.094086465 1 1
14200 0.3459466 0 0.12186656 1 1
14300 0.3327428 0 0.11396572 1 1
14400 0.32409443 0 0.10658903 1 1
14500 0.35022184 0 0.083558031 1 1
14600 0.34823843 0 0.024605569 1 1
14700 0.35298973 0 -0.040418888 1 1
14800 0.33679845 0 -0.10067728 1 1
14900 0.32790966 0 -0.10925568 1 1
15000 0.34208495 0 -0.09568004 1 1
15100 0.33647529 0 -0.055652929 1 1
15200 0.35328398 0 -0.020236536 1 1
15300 0.34252669 0 0.026434179 1 1
15400 0.34409435 0 0.094410599 1 1
15500 0.32288994 0 0.12034455 1 1
15600 0.32109689 0 0.13645185 1 1
15700 0.33681572 0 0.098607746 1 1
15800 0.33635195 0 0.05570715 1 1
15900 0.34289757 0 0.013849092 1 1
16000 0.34225547 0 -0.035597548 1 1
16100 0.33660991 0 -0.076931881 1 1
16200 0.32802152 0 -0.12765884 1 1
16300 0.3469374 0 -0.10785455 1 1
16400 0.34053641 0 -0.070259853 1 1
16500 0.34610591 0 -0.014315306 1 1
16600 0.35109001 0 0.041251169 1 1
16700 0.34336905 0 0.077996627 1 1
16800 0.33277414 0 0.11053634 1 1
16900 0.32183338 0 0.11680626 1 1
17000 0.34044352 0 0.10806555 1 1
17100 0.32967873 0 0.067759786 1 1
17200 0.36172278 0 -0.0048631904 1 1
17300 0.35619435 0 -0.04215545 1 1
17400 0.34540936 0 -0.093994174 1 1
17500 0.33193585 0 -0.098831315 1 1
17600 0.3544756 0 -0.085660403 1 1
17700 0.34505209 0 -0.069640515 1 1
17800 0.36291124 0 -0.0063088133 1 1
17900 0.34255705 0 0.046794555 1 1
18000 0.34163238 0 0.11767705 1 1
18100 0.3466445 0 0.1351712 1 1
18200 0.33037668 0 0.12703659 1 1
18300 0.33677404 0 0.10956306 1 1
18400 0.34978954 0 0.087193072 1 1
18500 0.33354363 0 0.051095814 1 1
18600 0.34651729 0 0.0056245561 1 1
18700 0.32622232 0 -0.047319269 1 1
18800 0.32978847 0 -0.054929416 1 1
18900 0.34192451 0 -0.037252471 1 1
19000 0.34061294 0 -0.001167235 1 1
19100 0.34194478 0 0.016945224 1 1
19200 0.33321765 0 0.050665354 1 1
19300 0.33197783 0 0.080470585 1 1
19400 0.33284715 0 0.12423599 1 1
19500 0.33867856 0 0.12689524 1 1
19600 0.36092786 0 0.11417704 1 1
19700 0.34270183 0 0.069038291 1 1
19800 0.34880695 0 0.042483681 1 1
19900 0.33903644 0 0.034788638 1 1
20000 0.32590125 0 0.011383785 1 1
20100 0.30358859 0 0.0030743554 1 1
20200 0.31830224 0 0.017637826 1 1
20300 0.34195438 0 0.072811099 1 1
20400 0.31249563 0 0.10063541 1 1
20500 0.31544938 0 0.1405794 1 1
20600 0.30071644 0 0.12763486 1 1
20700 0.2890265 0 0.1136651 1 1
20800 0.28962296 0 0.094481978 1 1
20900 0.29447212 0 0.0967165 1 1
21000 0.31159961 0 0.067307231 1 1
21100 0.30490648 0 0.017689358 1 1
21200 0.30687262 0 -0.016055512 1 1
21300 0.30083286 0 -0.0014988997 1 1
21400 0.32070426 0 0.015960302 1 1
21500 0.31439311 0 0.038170385 1 1
21600 0.32617832 0 0.043263788 1 1
21700 0.35151793 0 0.066302727 1 1
21800 0.35912885 0 0.070099103 1 1
21900 0.32451958 0 0.068935768 1 1
22000 0.35219298 0 0.067161227 1 1
22100 0.34857705 0 0.032731746 1 1
22200 0.34750227 0 0.0056917695 1 1
22300 0.34766017 0 -0.0027090483 1 1
22400 0.33426062 0 -0.023196063 1 1
22500 0.34174625 0 -0.025019717 1 1
22600 0.3356145 0 -0.029707418 1 1
22700 0.3362653 0 -0.035815733 1 1
22800 0.33973405 0 -0.0024705835 1 1
22900 0.33813085 0 0.0077527467 1 1
23000 0.33339981 0 0.028340744 1 1
23100 0.34079832 0 0.018521302 1 1
23200 0.33074548 0 0.032378405 1 1
23300 0.32965664 0 0.035989589 1 1
23400 0.30927749 0 0.024581106 1 1
23500 0.32890632 0 0.01092479 1 1
23600 0.34137438 0 0.0094839745 1 1
23700 0.34512638 0 -0.012392771 1 1
23800 0.31781354 0 -0.012908449 1 1
23900 0.32405513 0 -0.015018071 1 1
24000 0.33549728 0 -0.012812915 1 1
24100 0.31368736 0 -0.020818372 1 1
24200 0.33533836 0 0.0056121057 1 1
24300 0.32530627 0 0.018183931 1 1
24400 0.31930662 0 0.027446878 1 1
24500 0.33540302 0 0.040307455 1 1
24600 0.34020431 0 0.027403921 1 1
24700 0.3291814 0 0.01204865 1 1
24800 0.31552604 0 0.019654111 1 1
24900 0.34727253 0 0.01670543 1 1
25000 0.35120105 0 0.0038617562 1 1
25100 0.32706871 0 -0.021196623 1 1
25200 0.32915282 0 -0.017146508 1 1
25300 0.32577518 0 -0.01312495 1 1
25400 0.33286855 0 0.0014726193 1 1
25500 0.33002601 0 0.0080974022 1 1
25600 0.34127655 0 0.014296091 1 1
25700 0.34048065 0 0.022513032 1 1
25800 0.33029079 0 0.038733531 1 1
25900 0.33031324 0 0.026156982 1 1
26000 0.32967371 0 0.028727383 1 1
26100 0.33775718 0 0.015607478 1 1
26200 0.35097144 0 0.012291703 1 1
26300 0.34303792 0 0.00094823191 1 1
26400 0.33632665 0 -0.0026904889 1 1
26500 0.33580127 0 -0.0074168555 1 1
26600 0.33063188 0 -0.020378601 1 1
26700 0.33581846 0 -0.00084397268 1 1
26800 0.32998532 0 0.015932208 1 1
26900 0.33825444 0 0.010428603 1 1
27000 0.32081518 0 0.019818223 1 1
27100 0.31448098 0 0.020093416 1 1
27200 0.32643684 0 0.021934917 1 1
27300 0.33289466 0 0.023713072 1 1
27400 0.32310744 0 0.024110945 1 1
27500 0.33115619 0 0.0025776713 1 1
27600 0.33295887 0 -0.010710764 1 1
27700 0.32968876 0 -0.0064595905 1 1
27800 0.34064581 0 -0.0086519116 1 1
27900 0.33559187 0 -0.0055753593 1 1
28000 0.32300727 0 -0.0004153384 1 1
28100 0.32147461 0 -0.0058543412 1 1
28200 0.35532383 0 0.013646951 1 1
28300 0.31507942 0 0.026532255 1 1
28400 0.32711006 0 0.033214981 1 1
28500 0.34472462 0 0.028050837 1 1
28600 0.33708059 0 0.019115676 1 1
28700 0.34478087 0 0.023743689 1 1
28800 0.34546686 0 0.0081772997 1 1
28900 0.34004886 0 0.017771865 1 1
29000 0.33604232 0 -0.010505671 1 1
29100 0.33541374 0 -0.016273261 1 1
29200 0.34347489 0 -0.010002306 1 1
29300 0.34083904 0 0.0089701784 1 1
29400 0.34846892 0 0.020765104 1 1
29500 0.3416255 0 0.022650856 1 1
29600 0.33725496 0 0.020693083 1 1
29700 0.34480638 0 0.024317128 1 1
29800 0.31459471 0 0.023097895 1 1
29900 0.33014448 0 0.03114046 1 1
30000 0.33741498 0 0.015624314 1 1
30100 0.32598657 0 -0.0018860541 1 1
30200 0.34855815 0 0.0017983372 1 1
30300 0.33375921 0 0.0010991235 1 1
30400 0.35008944 0 -0.0027316177 1 1
30500 0.33279729 0 -0.0035788551 1 1
30600 0.33868746 0 -0.0016249482 1 1
30700 0.33597034 0 -0.0014524001 1 1
30800 0.3227257 0 0.016353457 1 1
30900 0.32676516 0 0.027396654 1 1
31000 0.34083982 0 0.031606413 1 1
31100 0.32165238 0 0.013583368 1 1
31200 0.3428492 0 0.020486611 1 1
31300 0.32372541 0 0.01215566 1 1
31400 0.32734692 0 0.016229397 1 1
31500 0.33089262 0 0.0060426618 1 1
31600 0.34273493 0 -0.013456537 1 1
31700 0.32723905 0 -0.019243766 1 1
31800 0.33636488 0 0.0027814902 1 1
31900 0.32834805 0 0.00706877 1 1
32000 0.33995148 0 0.0018383309 1 1
32100 0.33412282 0 0.0076455933 1 1
32200 0.34334884 0 0.023586129 1 1
32300 0.32778925 0 0.020564321 1 1
32400 0.33163443 0 0.038878463 1 1
32500 0.32290345 0 0.022247461 1 1
32600 0.34113954 0 0.010966365 1 1
32700 0.33390633 0 0.0037777555 1 1
32800 0.34385341 0 0.010556575 1 1
32900 0.32137047 0 0.00022027143 1 1
33000 0.32079172 0 -0.017261272 1 1
33100 0.33570882 0 -0.0051942206 1 1
33200 0.34320894 0 -0.011515281 1 1
33300 0.32794746 0 -0.0018153673 1 1
33400 0.33060982 0 0.027118146 1 1
33500 0.33641809 0 0.02143035 1 1
33600 0.33643061 0 0.020833068 1 1
33700 0.3485949 0 0.030918751 1 1
33800 0.3283985 0 0.01947613 1 1
33900 0.31959761 0 0.021128147 1 1
34000 0.33897984 0 0.015270986 1 1
34100 0.32392267 0 0.0020130852 1 1
34200 0.33084514 0 -0.024316708 1 1
34300 0.3342259 0 -0.0059047764 1 1
34400 0.33385098 0 0.0063818721 1 1
34500 0.33255603 0 -0.01023837 1 1
34600 0.34766173 0 0.0056703013 1 1
34700 0.339822 0 0.0061648559 1 1
34800 0.33902329 0 0.030037037 1 1
34900 0.3216153 0 0.027996689 1 1
35000 0.32701056 0 0.024778517 1 1
35100 0.3124942 0 0.011316548 1 1
35200 0.34486416 0 0.011670127 1 1
35300 0.33275353 0 0.020491246 1 1
35400 0.33618763 0 0.014678874 1 1
35500 0.32352282 0 -0.018568683 1 1
35600 0.32617903 0 -0.012796912 1 1
35700 0.32378048 0 -0.021318585 1 1
35800 0.3371086 0 -0.0023678632 1 1
35900 0.33818476 0 0.011197742 1 1
36000 0.35142144 0 0.022520935 1 1
36100 0.35147297 0 0.020277852 1 1
36200 0.33489465 0 0.014564878 1 1
36300 0.33841515 0 0.036439962 1 1
36400 0.32301096 0 0.019966746 1 1
36500 0.35612028 0 0.036509556 1 1
36600 0.33841597 0 -0.0042180605 1 1
36700 0.34477654 0 -0.0052770853 1 1
36800 0.33804317 0 -0.013751733 1 1
36900 0.35003816 0 -0.0021184393 1 1
37000 0.32965041 0 -0.020900951 1 1
37100 0.34653095 0 -0.013667977 1 1
37200 0.35019871 0 -0.0071740923 1 1
37300 0.34859745 0 0.02006041 1 1
37400 0.35739859 0 0.020892822 1 1
37500 0.34128859 0 0.041072111 1 1
37600 0.33781905 0 0.023376738 1 1
37700 0.32961874 0 0.030953741 1 1
37800 0.343987 0 0.029579795 1 1
37900 0.33610448 0 0.036836828 1 1
38000 0.32757228 0 0.020902031 1 1
38100 0.32735808 0 0.019544751 1 1
38200 0.35646953 0 0.044607528 1 1
38300 0.32509773 0 0.03610738 1 1
38400 0.32111741 0 0.034474043 1 1
38500 0.30590608 0 0.053461212 1 1
38600 0.32322402 0 0.053453832 1 1
38700 0.33843057 0 0.076264534 1 1
38800 0.31350741 0 0.064733869 1 1
38900 0.31943061 0 0.067836769 1 1
39000 0.33775583 0 0.0788316 1 1
39100 0.34256036 0 0.075874935 1 1
39200 0.33128527 0 0.071610976 1 1
39300 0.34519653 0 0.046257301 1 1
39400 0.34351844 0 0.052422917 1 1
39500 0.35716037 0 0.048916058 1 1
39600 0.34000737 0 0.016149089 1 1
39700 0.34587892 0 0.021619621 1 1
39800 0.34878036 0 0.0092881327 1 1
39900 0.35225411 0 -0.011341599 1 1
40000 0.36309266 0 0.0050869295 1 1
Loop time of 1.97236 on 1 procs for 40000 steps with 361 atoms
Pair time (%) = 0.0681326 (3.45437)
Bond time (%) = 1.00542 (50.9752)
Neigh time (%) = 0.522411 (26.4866)
Comm time (%) = 0.0141277 (0.716285)
Outpt time (%) = 0.00296307 (0.150229)
Other time (%) = 0.359312 (18.2173)
Nlocal: 361 ave 361 max 361 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 0
Ave neighs/atom = 0
Ave special neighs/atom = 31.0249
Neighbor list builds = 3079
Dangerous builds = 0

510
examples/balance/log.15May15.balance.bond.slow.g++.4
View File

@ -1,510 +0,0 @@
LAMMPS (30 Apr 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
# careful not to slam into wall too hard
variable v index 0.3
variable w index 0.08
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 0.3 $w 0 sum yes
velocity all set 0.3 0.08 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
create_bonds all all 1 1.0 1.5
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 10 steps, check yes
master list distance cutoff = 2.8
Added 1014 bonds, new total = 1014
6 = max # of 1-2 neighbors
30 = max # of 1-3 neighbors
180 = max # of 1-4 neighbors
36 = 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
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 40000
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 2.8
Memory usage per processor = 6.41878 Mbytes
Step Temp E_pair Press 10[3] 10
0 0.57437856 0 0.26099453 3.2354571 1.0526316
100 0.29756515 0 0.10149401 1.0193906 1.0083102
200 0.35394813 0 0.075159099 1.0304709 1.0083102
300 0.39245849 0 0.033002384 1.0304709 1.0193906
400 0.34078347 0 -0.020825841 1.0304709 1.0083102
500 0.35201095 0 -0.062637506 1.0193906 1.0083102
600 0.34014717 0 -0.11122965 1.0415512 1.0083102
700 0.3323524 0 -0.11598015 1.0193906 1.0083102
800 0.35116047 0 -0.096162395 1.0083102 1.0193906
900 0.35695352 0 -0.01385176 1.0526316 1.0193906
1000 0.36986539 0 0.056772858 1.0083102 1.0083102
1100 0.34584644 0 0.084941323 1.0193906 1.0083102
1200 0.31921435 0 0.10545078 1.0415512 1.0193906
1300 0.32952819 0 0.124902 1.0083102 1.0083102
1400 0.34497365 0 0.12662081 1.0193906 1.0083102
1500 0.33429243 0 0.096230972 1.0526316 1.0193906
1600 0.33765387 0 0.025800542 1.0304709 1.0083102
1700 0.35134464 0 -0.04422593 1.0415512 1.0083102
1800 0.35003859 0 -0.096745576 1.0304709 1.0193906
1900 0.33839618 0 -0.095465943 1.0193906 1.0083102
2000 0.33732078 0 -0.094652802 1.0083102 1.0083102
2100 0.34552238 0 -0.076729261 1.0304709 1.0083102
2200 0.34893142 0 -0.036853228 1.0304709 1.0193906
2300 0.35379341 0 0.021124847 1.0304709 1.0304709
2400 0.34829744 0 0.09230184 1.0304709 1.0193906
2500 0.33038141 0 0.1399855 1.0193906 1.0193906
2600 0.30983019 0 0.12754742 1.0193906 1.0083102
2700 0.32992561 0 0.10485138 1.0415512 1.0304709
2800 0.34604747 0 0.066174138 1.0083102 1.0083102
2900 0.3444791 0 0.036590652 1.0193906 1.0193906
3000 0.34721342 0 -0.023793368 1.0193906 1.0083102
3100 0.33404314 0 -0.08374223 1.0415512 1.0083102
3200 0.33019355 0 -0.12715599 1.0083102 1.0083102
3300 0.33515177 0 -0.12217394 1.0193906 1.0083102
3400 0.33628481 0 -0.070877624 1.0193906 1.0083102
3500 0.34257038 0 -0.021612062 1.0304709 1.0083102
3600 0.32838009 0 0.030131228 1.0083102 1.0083102
3700 0.34462142 0 0.074586378 1.0415512 1.0083102
3800 0.30891825 0 0.10605673 1.0304709 1.0083102
3900 0.33847951 0 0.13956139 1.0415512 1.0193906
4000 0.32952079 0 0.12688129 1.0193906 1.0304709
4100 0.32646772 0 0.081089042 1.0304709 1.0193906
4200 0.35399503 0 0.013422873 1.0083102 1.0083102
4300 0.33154914 0 -0.050919508 1.0083102 1.0193906
4400 0.34113556 0 -0.083171 1.0415512 1.0083102
4500 0.32651708 0 -0.1063133 1.0193906 1.0083102
4600 0.34359609 0 -0.1076395 1.0083102 1.0193906
4700 0.34973537 0 -0.088231606 1.0415512 1.0083102
4800 0.35198515 0 -0.020901044 1.0415512 1.0083102
4900 0.35187284 0 0.043645941 1.0193906 1.0083102
5000 0.34887336 0 0.095698609 1.0193906 1.0083102
5100 0.30308163 0 0.11649328 1.0083102 1.0083102
5200 0.32401285 0 0.12072411 1.0193906 1.0083102
5300 0.33025072 0 0.10933161 1.0304709 1.0083102
5400 0.33288012 0 0.078356448 1.0083102 1.0193906
5500 0.35142492 0 0.036958063 1.0193906 1.0083102
5600 0.35125368 0 -0.041371343 1.0304709 1.0083102
5700 0.34547744 0 -0.096450846 1.0637119 1.0083102
5800 0.30939887 0 -0.12356656 1.0083102 1.0083102
5900 0.32315628 0 -0.11338676 1.0193906 1.0304709
6000 0.34117485 0 -0.066198961 1.0193906 1.0193906
6100 0.35298043 0 -0.016172816 1.0304709 1.0193906
6200 0.35130653 0 0.027660468 1.0415512 1.0083102
6300 0.35398766 0 0.087221238 1.0083102 1.0193906
6400 0.30963379 0 0.11990957 1.0193906 1.0083102
6500 0.3174541 0 0.14103528 1.0193906 1.0193906
6600 0.31989791 0 0.11575506 1.0415512 1.0193906
6700 0.33811477 0 0.060747353 1.0083102 1.0193906
6800 0.3424043 0 0.010357152 1.0304709 1.0083102
6900 0.34804319 0 -0.042621786 1.0193906 1.0083102
7000 0.35357865 0 -0.067248959 1.0304709 1.0083102
7100 0.33556885 0 -0.10983726 1.0193906 1.0083102
7200 0.33531101 0 -0.112179 1.0304709 1.0083102
7300 0.35742607 0 -0.078405267 1.0304709 1.0193906
7400 0.34577559 0 -0.01985432 1.0193906 1.0083102
7500 0.3498641 0 0.052289439 1.0526316 1.0083102
7600 0.33773715 0 0.092939035 1.0083102 1.0193906
7700 0.33093497 0 0.11924405 1.0193906 1.0083102
7800 0.31435814 0 0.12701724 1.0083102 1.0304709
7900 0.33132217 0 0.10793075 1.0193906 1.0193906
8000 0.33451798 0 0.077993125 1.0304709 1.0083102
8100 0.35188371 0 0.019929977 1.0193906 1.0193906
8200 0.33645742 0 -0.039302079 1.0193906 1.0193906
8300 0.3415632 0 -0.098067982 1.0304709 1.0083102
8400 0.30619282 0 -0.12952879 1.0193906 1.0193906
8500 0.34446484 0 -0.098084709 1.0083102 1.0083102
8600 0.33761673 0 -0.07069818 1.0193906 1.0083102
8700 0.34495452 0 -0.022458056 1.0193906 1.0193906
8800 0.33502983 0 0.027742411 1.0304709 1.0083102
8900 0.35418591 0 0.092390134 1.0083102 1.0193906
9000 0.31648387 0 0.12467398 1.0193906 1.0083102
9100 0.33994825 0 0.14460327 1.0193906 1.0083102
9200 0.33822571 0 0.11273284 1.0193906 1.0083102
9300 0.33260773 0 0.060063671 1.0083102 1.0193906
9400 0.36140305 0 0.021427642 1.0193906 1.0083102
9500 0.34273562 0 -0.034064202 1.0193906 1.0083102
9600 0.33867054 0 -0.089076906 1.0193906 1.0083102
9700 0.32088235 0 -0.12027075 1.0193906 1.0083102
9800 0.3320823 0 -0.11602794 1.0415512 1.0193906
9900 0.33916442 0 -0.080281044 1.0083102 1.0083102
10000 0.34852268 0 -0.01000914 1.0193906 1.0193906
10100 0.32955942 0 0.04258493 1.0083102 1.0083102
10200 0.34487898 0 0.086971308 1.0304709 1.0083102
10300 0.32325593 0 0.11558149 1.0304709 1.0083102
10400 0.30927871 0 0.12239437 1.0083102 1.0193906
10500 0.33176799 0 0.12285937 1.0193906 1.0083102
10600 0.35120027 0 0.084897432 1.0083102 1.0083102
10700 0.33129697 0 0.0053089279 1.0193906 1.0193906
10800 0.36028769 0 -0.04280715 1.0193906 1.0083102
10900 0.35552287 0 -0.084955999 1.0193906 1.0304709
11000 0.3406024 0 -0.096554577 1.0083102 1.0083102
11100 0.33041202 0 -0.10703492 1.0304709 1.0193906
11200 0.32442686 0 -0.084328121 1.0304709 1.0083102
11300 0.35952468 0 -0.020191965 1.0304709 1.0193906
11400 0.34610624 0 0.03440148 1.0193906 1.0083102
11500 0.3415612 0 0.1041929 1.0193906 1.0193906
11600 0.34040042 0 0.13215705 1.0304709 1.0193906
11700 0.33555094 0 0.12738686 1.0083102 1.0193906
11800 0.3458647 0 0.10963398 1.0193906 1.0193906
11900 0.33836678 0 0.067253864 1.0193906 1.0193906
12000 0.34853314 0 0.03201448 1.0193906 1.0083102
12100 0.34600048 0 -0.034833402 1.0304709 1.0083102
12200 0.33145631 0 -0.09865675 1.0193906 1.0193906
12300 0.32848884 0 -0.1248489 1.0193906 1.0193906
12400 0.3321344 0 -0.11266575 1.0083102 1.0083102
12500 0.32622305 0 -0.061634993 1.0304709 1.0083102
12600 0.36213537 0 -0.0090593315 1.0526316 1.0193906
12700 0.34673866 0 0.036734645 1.0193906 1.0083102
12800 0.34606618 0 0.086267678 1.0193906 1.0083102
12900 0.34271431 0 0.12415522 1.0304709 1.0083102
13000 0.31993287 0 0.13879926 1.0193906 1.0193906
13100 0.3422918 0 0.11978905 1.0083102 1.0083102
13200 0.33055236 0 0.062620483 1.0193906 1.0083102
13300 0.34652207 0 0.0043833459 1.0304709 1.0083102
13400 0.33574661 0 -0.04691024 1.0304709 1.0083102
13500 0.33940837 0 -0.074241604 1.0304709 1.0083102
13600 0.32093414 0 -0.1078027 1.0193906 1.0083102
13700 0.34336597 0 -0.10544097 1.0193906 1.0193906
13800 0.35806461 0 -0.072531559 1.0193906 1.0083102
13900 0.35209713 0 -0.018851408 1.0083102 1.0083102
14000 0.35702629 0 0.061046366 1.0083102 1.0083102
14100 0.33234093 0 0.094086465 1.0083102 1.0083102
14200 0.3459466 0 0.12186656 1.0193906 1.0083102
14300 0.3327428 0 0.11396572 1.0193906 1.0083102
14400 0.32409443 0 0.10658903 1.0193906 1.0193906
14500 0.35022184 0 0.083558031 1.0083102 1.0193906
14600 0.34823843 0 0.024605569 1.0083102 1.0083102
14700 0.35298973 0 -0.040418888 1.0193906 1.0083102
14800 0.33679845 0 -0.10067728 1.0193906 1.0083102
14900 0.32790966 0 -0.10925568 1.0193906 1.0083102
15000 0.34208495 0 -0.09568004 1.0193906 1.0083102
15100 0.33647529 0 -0.055652929 1.0083102 1.0083102
15200 0.35328398 0 -0.020236536 1.0193906 1.0193906
15300 0.34252669 0 0.026434179 1.0083102 1.0083102
15400 0.34409435 0 0.094410599 1.0304709 1.0083102
15500 0.32288994 0 0.12034455 1.0415512 1.0193906
15600 0.32109689 0 0.13645185 1.0193906 1.0083102
15700 0.33681572 0 0.098607746 1.0415512 1.0083102
15800 0.33635195 0 0.05570715 1.0193906 1.0193906
15900 0.34289757 0 0.013849092 1.0304709 1.0083102
16000 0.34225547 0 -0.035597548 1.0304709 1.0083102
16100 0.33660991 0 -0.076931881 1.0193906 1.0193906
16200 0.32802152 0 -0.12765884 1.0083102 1.0083102
16300 0.3469374 0 -0.10785455 1.0083102 1.0083102
16400 0.34053641 0 -0.070259853 1.0193906 1.0083102
16500 0.34610591 0 -0.014315306 1.0193906 1.0083102
16600 0.35109001 0 0.041251169 1.0304709 1.0083102
16700 0.34336905 0 0.077996627 1.0193906 1.0083102
16800 0.33277414 0 0.11053634 1.0083102 1.0083102
16900 0.32183338 0 0.11680626 1.0193906 1.0193906
17000 0.34044352 0 0.10806555 1.0193906 1.0083102
17100 0.32967873 0 0.067759786 1.0304709 1.0193906
17200 0.36172278 0 -0.0048631904 1.0304709 1.0193906
17300 0.35619435 0 -0.04215545 1.0193906 1.0083102
17400 0.34540936 0 -0.093994174 1.0193906 1.0193906
17500 0.33193585 0 -0.098831315 1.0083102 1.0193906
17600 0.3544756 0 -0.085660403 1.0193906 1.0083102
17700 0.34505209 0 -0.069640515 1.0304709 1.0083102
17800 0.36291124 0 -0.0063088133 1.0083102 1.0193906
17900 0.34255705 0 0.046794555 1.0304709 1.0083102
18000 0.34163238 0 0.11767705 1.0193906 1.0193906
18100 0.3466445 0 0.1351712 1.0415512 1.0193906
18200 0.33037668 0 0.12703659 1.0083102 1.0083102
18300 0.33677404 0 0.10956306 1.0083102 1.0304709
18400 0.34978954 0 0.087193072 1.0193906 1.0193906
18500 0.33354363 0 0.051095814 1.0526316 1.0193906
18600 0.34651729 0 0.0056245561 1.0304709 1.0083102
18700 0.32622232 0 -0.047319269 1.0083102 1.0193906
18800 0.32978847 0 -0.054929416 1.0304709 1.0193906
18900 0.34192451 0 -0.037252471 1.0193906 1.0083102
19000 0.34061294 0 -0.001167235 1.0083102 1.0083102
19100 0.34194478 0 0.016945224 1.0526316 1.0193906
19200 0.33321765 0 0.050665354 1.0526316 1.0083102
19300 0.33197783 0 0.080470585 1.0193906 1.0083102
19400 0.33284715 0 0.12423599 1.0304709 1.0304709
19500 0.33867856 0 0.12689524 1.0083102 1.0083102
19600 0.36092786 0 0.11417704 1.0193906 1.0083102
19700 0.34270183 0 0.069038291 1.0415512 1.0083102
19800 0.34880695 0 0.042483681 1.0193906 1.0083102
19900 0.33903644 0 0.034788638 1.0083102 1.0193906
20000 0.32590125 0 0.011383785 1.0193906 1.0083102
20100 0.30358859 0 0.0030743554 1.0526316 1.0083102
20200 0.31830224 0 0.017637826 1.0193906 1.0193906
20300 0.34195438 0 0.072811099 1.0304709 1.0193906
20400 0.31249563 0 0.10063541 1.0415512 1.0083102
20500 0.31544938 0 0.1405794 1.0083102 1.0083102
20600 0.30071644 0 0.12763486 1.0193906 1.0193906
20700 0.2890265 0 0.1136651 1.0083102 1.0083102
20800 0.28962296 0 0.094481978 1.0193906 1.0083102
20900 0.29447212 0 0.0967165 1.0193906 1.0193906
21000 0.31159961 0 0.067307231 1.0083102 1.0083102
21100 0.30490648 0 0.017689358 1.0083102 1.0193906
21200 0.30687262 0 -0.016055512 1.0193906 1.0193906
21300 0.30083286 0 -0.0014988997 1.0193906 1.0083102
21400 0.32070426 0 0.015960302 1.0083102 1.0083102
21500 0.31439311 0 0.038170385 1.0304709 1.0083102
21600 0.32617832 0 0.043263788 1.0083102 1.0083102
21700 0.35151793 0 0.066302727 1.0193906 1.0083102
21800 0.35912885 0 0.070099103 1.0193906 1.0083102
21900 0.32451958 0 0.068935768 1.0304709 1.0193906
22000 0.35219298 0 0.067161227 1.0193906 1.0193906
22100 0.34857705 0 0.032731746 1.0193906 1.0083102
22200 0.34750227 0 0.0056917695 1.0193906 1.0193906
22300 0.34766017 0 -0.0027090483 1.0193906 1.0083102
22400 0.33426062 0 -0.023196063 1.0304709 1.0193906
22500 0.34174625 0 -0.025019717 1.0083102 1.0083102
22600 0.3356145 0 -0.029707418 1.0304709 1.0083102
22700 0.3362653 0 -0.035815733 1.0193906 1.0083102
22800 0.33973405 0 -0.0024705835 1.0193906 1.0083102
22900 0.33813085 0 0.0077527467 1.0083102 1.0193906
23000 0.33339981 0 0.028340744 1.0193906 1.0083102
23100 0.34079832 0 0.018521302 1.0415512 1.0083102
23200 0.33074548 0 0.032378405 1.0193906 1.0083102
23300 0.32965664 0 0.035989589 1.0193906 1.0083102
23400 0.30927749 0 0.024581106 1.0193906 1.0083102
23500 0.32890632 0 0.01092479 1.0304709 1.0193906
23600 0.34137438 0 0.0094839745 1.0193906 1.0083102
23700 0.34512638 0 -0.012392771 1.0304709 1.0193906
23800 0.31781354 0 -0.012908449 1.0193906 1.0193906
23900 0.32405513 0 -0.015018071 1.0415512 1.0083102
24000 0.33549728 0 -0.012812915 1.0193906 1.0193906
24100 0.31368736 0 -0.020818372 1.0304709 1.0193906
24200 0.33533836 0 0.0056121057 1.0083102 1.0193906
24300 0.32530627 0 0.018183931 1.0415512 1.0083102
24400 0.31930662 0 0.027446878 1.0083102 1.0083102
24500 0.33540302 0 0.040307455 1.0304709 1.0083102
24600 0.34020431 0 0.027403921 1.0083102 1.0083102
24700 0.3291814 0 0.01204865 1.0193906 1.0083102
24800 0.31552604 0 0.019654111 1.0083102 1.0193906
24900 0.34727253 0 0.01670543 1.0193906 1.0083102
25000 0.35120105 0 0.0038617562 1.0193906 1.0193906
25100 0.32706871 0 -0.021196623 1.0415512 1.0193906
25200 0.32915282 0 -0.017146508 1.0193906 1.0083102
25300 0.32577518 0 -0.01312495 1.0193906 1.0304709
25400 0.33286855 0 0.0014726193 1.0193906 1.0193906
25500 0.33002601 0 0.0080974022 1.0193906 1.0083102
25600 0.34127655 0 0.014296091 1.0526316 1.0083102
25700 0.34048065 0 0.022513032 1.0193906 1.0193906
25800 0.33029079 0 0.038733531 1.0193906 1.0083102
25900 0.33031324 0 0.026156982 1.0304709 1.0193906
26000 0.32967371 0 0.028727383 1.0083102 1.0193906
26100 0.33775718 0 0.015607478 1.0083102 1.0193906
26200 0.35097144 0 0.012291703 1.0083102 1.0083102
26300 0.34303792 0 0.00094823191 1.0083102 1.0193906
26400 0.33632665 0 -0.0026904889 1.0193906 1.0193906
26500 0.33580127 0 -0.0074168555 1.0193906 1.0193906
26600 0.33063188 0 -0.020378601 1.0083102 1.0193906
26700 0.33581846 0 -0.00084397268 1.0083102 1.0193906
26800 0.32998532 0 0.015932208 1.0304709 1.0193906
26900 0.33825444 0 0.010428603 1.0304709 1.0083102
27000 0.32081518 0 0.019818223 1.0304709 1.0193906
27100 0.31448098 0 0.020093416 1.0193906 1.0083102
27200 0.32643684 0 0.021934917 1.0083102 1.0083102
27300 0.33289466 0 0.023713072 1.0415512 1.0083102
27400 0.32310744 0 0.024110945 1.0415512 1.0083102
27500 0.33115619 0 0.0025776713 1.0304709 1.0193906
27600 0.33295887 0 -0.010710764 1.0304709 1.0193906
27700 0.32968876 0 -0.0064595905 1.0193906 1.0193906
27800 0.34064581 0 -0.0086519116 1.0193906 1.0083102
27900 0.33559187 0 -0.0055753593 1.0083102 1.0083102
28000 0.32300727 0 -0.0004153384 1.0304709 1.0083102
28100 0.32147461 0 -0.0058543412 1.0083102 1.0083102
28200 0.35532383 0 0.013646951 1.0304709 1.0083102
28300 0.31507942 0 0.026532255 1.0415512 1.0193906
28400 0.32711006 0 0.033214981 1.0193906 1.0083102
28500 0.34472462 0 0.028050837 1.0304709 1.0193906
28600 0.33708059 0 0.019115676 1.0083102 1.0083102
28700 0.34478087 0 0.023743689 1.0304709 1.0083102
28800 0.34546686 0 0.0081772997 1.0304709 1.0083102
28900 0.34004886 0 0.017771865 1.0415512 1.0193906
29000 0.33604232 0 -0.010505671 1.0304709 1.0193906
29100 0.33541374 0 -0.016273261 1.0083102 1.0083102
29200 0.34347489 0 -0.010002306 1.0083102 1.0083102
29300 0.34083904 0 0.0089701784 1.0193906 1.0193906
29400 0.34846892 0 0.020765104 1.0083102 1.0083102
29500 0.3416255 0 0.022650856 1.0304709 1.0083102
29600 0.33725496 0 0.020693083 1.0193906 1.0193906
29700 0.34480638 0 0.024317128 1.0304709 1.0083102
29800 0.31459471 0 0.023097895 1.0083102 1.0083102
29900 0.33014448 0 0.03114046 1.0193906 1.0083102
30000 0.33741498 0 0.015624314 1.0083102 1.0193906
30100 0.32598657 0 -0.0018860541 1.0415512 1.0193906
30200 0.34855815 0 0.0017983372 1.0083102 1.0083102
30300 0.33375921 0 0.0010991235 1.0083102 1.0193906
30400 0.35008944 0 -0.0027316177 1.0415512 1.0083102
30500 0.33279729 0 -0.0035788551 1.0193906 1.0193906
30600 0.33868746 0 -0.0016249482 1.0083102 1.0193906
30700 0.33597034 0 -0.0014524001 1.0193906 1.0193906
30800 0.3227257 0 0.016353457 1.0415512 1.0193906
30900 0.32676516 0 0.027396654 1.0193906 1.0083102
31000 0.34083982 0 0.031606413 1.0415512 1.0193906
31100 0.32165238 0 0.013583368 1.0193906 1.0083102
31200 0.3428492 0 0.020486611 1.0304709 1.0193906
31300 0.32372541 0 0.01215566 1.0083102 1.0083102
31400 0.32734692 0 0.016229397 1.0083102 1.0083102
31500 0.33089262 0 0.0060426618 1.0083102 1.0083102
31600 0.34273493 0 -0.013456537 1.0083102 1.0083102
31700 0.32723905 0 -0.019243766 1.0193906 1.0083102
31800 0.33636488 0 0.0027814902 1.0083102 1.0083102
31900 0.32834805 0 0.00706877 1.0083102 1.0083102
32000 0.33995148 0 0.0018383309 1.0193906 1.0193906
32100 0.33412282 0 0.0076455933 1.0083102 1.0083102
32200 0.34334884 0 0.023586129 1.0083102 1.0083102
32300 0.32778925 0 0.020564321 1.0193906 1.0083102
32400 0.33163443 0 0.038878463 1.0193906 1.0083102
32500 0.32290345 0 0.022247461 1.0193906 1.0083102
32600 0.34113954 0 0.010966365 1.0304709 1.0083102
32700 0.33390633 0 0.0037777555 1.0193906 1.0083102
32800 0.34385341 0 0.010556575 1.0193906 1.0083102
32900 0.32137047 0 0.00022027143 1.0526316 1.0193906
33000 0.32079172 0 -0.017261272 1.0193906 1.0193906
33100 0.33570882 0 -0.0051942206 1.0083102 1.0083102
33200 0.34320894 0 -0.011515281 1.0304709 1.0083102
33300 0.32794746 0 -0.0018153673 1.0083102 1.0193906
33400 0.33060982 0 0.027118146 1.0193906 1.0083102
33500 0.33641809 0 0.02143035 1.0083102 1.0083102
33600 0.33643061 0 0.020833068 1.0193906 1.0083102
33700 0.3485949 0 0.030918751 1.0193906 1.0083102
33800 0.3283985 0 0.01947613 1.0193906 1.0083102
33900 0.31959761 0 0.021128147 1.0083102 1.0193906
34000 0.33897984 0 0.015270986 1.0193906 1.0083102
34100 0.32392267 0 0.0020130852 1.0304709 1.0193906
34200 0.33084514 0 -0.024316708 1.0193906 1.0193906
34300 0.3342259 0 -0.0059047764 1.0193906 1.0304709
34400 0.33385098 0 0.0063818721 1.0193906 1.0083102
34500 0.33255603 0 -0.01023837 1.0083102 1.0304709
34600 0.34766173 0 0.0056703013 1.0193906 1.0083102
34700 0.339822 0 0.0061648559 1.0083102 1.0193906
34800 0.33902329 0 0.030037037 1.0415512 1.0193906
34900 0.3216153 0 0.027996689 1.0304709 1.0083102
35000 0.32701056 0 0.024778517 1.0193906 1.0193906
35100 0.3124942 0 0.011316548 1.0193906 1.0193906
35200 0.34486416 0 0.011670127 1.0193906 1.0193906
35300 0.33275353 0 0.020491246 1.0193906 1.0193906
35400 0.33618763 0 0.014678874 1.0083102 1.0083102
35500 0.32352282 0 -0.018568683 1.0193906 1.0193906
35600 0.32617903 0 -0.012796912 1.0193906 1.0193906
35700 0.32378048 0 -0.021318585 1.0193906 1.0083102
35800 0.3371086 0 -0.0023678632 1.0193906 1.0193906
35900 0.33818476 0 0.011197742 1.0193906 1.0083102
36000 0.35142144 0 0.022520935 1.0083102 1.0193906
36100 0.35147297 0 0.020277852 1.0193906 1.0083102
36200 0.33489465 0 0.014564878 1.0415512 1.0083102
36300 0.33841515 0 0.036439962 1.0193906 1.0193906
36400 0.32301096 0 0.019966746 1.0304709 1.0083102
36500 0.35612028 0 0.036509556 1.0083102 1.0083102
36600 0.33841597 0 -0.0042180605 1.0193906 1.0193906
36700 0.34477654 0 -0.0052770853 1.0193906 1.0193906
36800 0.33804317 0 -0.013751733 1.0083102 1.0083102
36900 0.35003816 0 -0.0021184393 1.0083102 1.0193906
37000 0.32965041 0 -0.020900951 1.0193906 1.0083102
37100 0.34653095 0 -0.013667977 1.0193906 1.0083102
37200 0.35019871 0 -0.0071740923 1.0083102 1.0193906
37300 0.34859745 0 0.02006041 1.0304709 1.0083102
37400 0.35739859 0 0.020892822 1.0193906 1.0083102
37500 0.34128859 0 0.041072111 1.0193906 1.0193906
37600 0.33781905 0 0.023376738 1.0193906 1.0083102
37700 0.32961874 0 0.030953741 1.0193906 1.0083102
37800 0.343987 0 0.029579795 1.0083102 1.0083102
37900 0.33610448 0 0.036836828 1.0415512 1.0304709
38000 0.32757228 0 0.020902031 1.0193906 1.0193906
38100 0.32735808 0 0.019544751 1.0193906 1.0083102
38200 0.35646953 0 0.044607528 1.0083102 1.0304709
38300 0.32509773 0 0.03610738 1.0193906 1.0083102
38400 0.32111741 0 0.034474043 1.0193906 1.0193906
38500 0.30590608 0 0.053461212 1.0304709 1.0083102
38600 0.32322402 0 0.053453832 1.0193906 1.0304709
38700 0.33843057 0 0.076264534 1.0083102 1.0193906
38800 0.31350741 0 0.064733869 1.0415512 1.0083102
38900 0.31943061 0 0.067836769 1.0304709 1.0193906
39000 0.33775583 0 0.0788316 1.0193906 1.0193906
39100 0.34256036 0 0.075874935 1.0083102 1.0193906
39200 0.33128527 0 0.071610976 1.0193906 1.0083102
39300 0.34519653 0 0.046257301 1.0193906 1.0193906
39400 0.34351844 0 0.052422917 1.0304709 1.0304709
39500 0.35716037 0 0.048916058 1.0304709 1.0083102
39600 0.34000737 0 0.016149089 1.0304709 1.0083102
39700 0.34587892 0 0.021619621 1.0526316 1.0193906
39800 0.34878036 0 0.0092881327 1.0083102 1.0193906
39900 0.35225411 0 -0.011341599 1.0083102 1.0083102
40000 0.36309266 0 0.0050869295 1.0304709 1.0083102
Loop time of 1.04466 on 4 procs for 40000 steps with 361 atoms
Pair time (%) = 0.0204212 (1.95482)
Bond time (%) = 0.24346 (23.3052)
Neigh time (%) = 0.159626 (15.2802)
Comm time (%) = 0.310273 (29.7009)
Outpt time (%) = 0.00736511 (0.705024)
Other time (%) = 0.303515 (29.0539)
Nlocal: 90.25 ave 91 max 89 min
Histogram: 1 0 0 0 0 1 0 0 0 2
Nghost: 59.25 ave 61 max 56 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Neighs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Total # of neighbors = 0
Ave neighs/atom = 0
Ave special neighs/atom = 31.0249
Neighbor list builds = 3079
Dangerous builds = 0

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LAMMPS (30 Apr 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 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)
1 by 1 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
master list distance cutoff = 2.8
Memory usage per processor = 2.47688 Mbytes
Step Temp E_pair Press 10[3] 10
0 25.701528 -29.143179 -1.2407285 1 1
100 26.269576 -29.713313 7.9052334 1 1
200 26.368336 -29.809962 1.6412462 1 1
300 26.479082 -29.920083 2.3678653 1 1
400 26.522239 -29.965537 6.6787858 1 1
500 25.725591 -29.168034 0.67065285 1 1
600 26.247693 -29.692706 7.9887712 1 1
700 26.237368 -29.676926 1.5987214 1 1
800 25.889643 -29.431589 4.6160859 1 1
900 23.635295 -27.372963 9.029962 1 1
1000 22.571904 -25.87422 1.8936085 1 1
1100 17.493795 -21.447274 9.502619 1 1
1200 17.214459 -20.726964 6.3578933 1 1
1300 16.424366 -19.75746 3.9025348 1 1
1400 15.09282 -18.172384 1.7966088 1 1
1500 13.669129 -16.736191 1.3320876 1 1
1600 13.518191 -16.481254 2.2474968 1 1
1700 13.840191 -16.808798 1.848689 1 1
1800 12.705797 -15.654395 2.6658475 1 1
1900 12.560112 -15.376796 1.6651246 1 1
2000 12.11219 -14.943991 1.2347207 1 1
2100 11.681161 -14.453803 1.1856253 1 1
2200 11.380134 -14.15437 1.0983288 1 1
2300 11.404137 -14.206989 1.0886428 1 1
2400 11.267361 -14.00915 1.1353313 1 1
2500 11.086288 -13.866685 1.5189761 1 1
2600 11.241757 -14.031809 1.6088858 1 1
2700 10.741715 -13.522752 1.2648051 1 1
2800 10.594219 -13.461001 1.2068865 1 1
2900 10.497917 -13.243311 0.90549881 1 1
3000 9.8887944 -12.633322 1.2014467 1 1
3100 10.046064 -12.757462 0.72911664 1 1
3200 9.8202521 -12.544235 0.85793687 1 1
3300 9.9932983 -12.729524 1.3692879 1 1
3400 9.4389164 -12.132571 0.83559817 1 1
3500 9.4456791 -12.154808 1.2415677 1 1
3600 9.4291752 -12.13391 1.1892815 1 1
3700 9.2656145 -11.994284 0.93597208 1 1
3800 9.6833674 -12.407022 1.4696321 1 1
3900 9.2075262 -11.996657 1.0201833 1 1
4000 8.704708 -11.395839 1.5366945 1 1
4100 8.496226 -11.160512 0.98385093 1 1
4200 8.5566638 -11.241219 0.84428298 1 1
4300 8.3079987 -10.963542 0.96552044 1 1
4400 8.0878014 -10.695296 0.9598929 1 1
4500 7.8974753 -10.510996 0.67253552 1 1
4600 7.9008492 -10.511956 0.80200878 1 1
4700 7.8469401 -10.46341 0.91408186 1 1
4800 7.8237062 -10.478701 0.80709563 1 1
4900 7.9248576 -10.569715 0.93955604 1 1
5000 7.8285795 -10.450559 0.72760696 1 1
5100 7.8176003 -10.433727 1.0046395 1 1
5200 7.930586 -10.543139 1.1883254 1 1
5300 7.4014327 -10.200353 1.2717149 1 1
5400 7.3398704 -9.9377313 0.8277383 1 1
5500 7.9323894 -10.544566 0.58409181 1 1
5600 7.8256391 -10.452111 0.8371735 1 1
5700 7.5744223 -10.225985 0.56633204 1 1
5800 7.5149231 -10.128901 0.8877957 1 1
5900 7.2696456 -9.868796 1.0183026 1 1
6000 8.172964 -10.8046 0.82048799 1 1
6100 7.569911 -10.224271 0.85335085 1 1
6200 7.5498129 -10.158173 0.69550695 1 1
6300 7.0906227 -9.664124 0.38267058 1 1
6400 6.9720876 -9.556043 0.74772365 1 1
6500 7.2708269 -9.8393843 0.87493485 1 1
6600 7.0968522 -9.7557969 0.66499003 1 1
6700 7.1122649 -9.7305659 1.3152794 1 1
6800 6.9990684 -9.5808587 0.25569509 1 1
6900 7.2436468 -9.8205382 0.94441711 1 1
7000 7.0592104 -9.6306985 0.62683684 1 1
7100 6.7457928 -9.3199995 0.92851433 1 1
7200 7.0005278 -9.645515 0.79975493 1 1
7300 7.0106928 -9.5922649 0.78131757 1 1
7400 6.9425198 -9.5718261 0.3016744 1 1
7500 7.4193009 -9.9953487 0.55537513 1 1
7600 7.1870399 -9.7798145 0.94155142 1 1
7700 6.8261504 -9.3693292 0.78601298 1 1
7800 6.8794916 -9.4362689 0.9335562 1 1
7900 7.0068635 -9.5490666 0.53210657 1 1
8000 6.641609 -9.181226 0.80726821 1 1
8100 6.9290677 -9.4788963 1.1195905 1 1
8200 6.6497084 -9.197688 0.45616164 1 1
8300 6.6000864 -9.207368 0.46307403 1 1
8400 6.7434835 -9.3226196 0.78570419 1 1
8500 7.0766248 -9.5981608 0.48778261 1 1
8600 6.8206587 -9.3646115 0.76420951 1 1
8700 7.2009315 -9.7629817 0.69026433 1 1
8800 7.0581986 -9.636327 0.54467209 1 1
8900 7.2337543 -9.8210795 0.61604427 1 1
9000 6.7053026 -9.2552306 0.24196123 1 1
9100 6.7919694 -9.3561383 0.34320213 1 1
9200 6.8518231 -9.4142511 0.73735875 1 1
9300 6.5891178 -9.1414615 0.45262773 1 1
9400 6.4724853 -9.0217877 0.54837629 1 1
9500 6.3569528 -8.9201793 0.19617724 1 1
9600 6.3765498 -8.947548 0.85408461 1 1
9700 6.5652079 -9.1101844 0.74478711 1 1
9800 6.5099709 -9.0677449 0.69826809 1 1
9900 6.1773299 -8.7085595 0.69981004 1 1
10000 6.3999463 -8.9423632 0.42668066 1 1
Loop time of 0.652761 on 1 procs for 10000 steps with 361 atoms
Pair time (%) = 0.292428 (44.7986)
Neigh time (%) = 0.258237 (39.5607)
Comm time (%) = 0.0056479 (0.865232)
Outpt time (%) = 0.00073719 (0.112934)
Other time (%) = 0.0957115 (14.6626)
Nlocal: 361 ave 361 max 361 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1191 ave 1191 max 1191 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1191
Ave neighs/atom = 3.29917
Neighbor list builds = 3609
Dangerous builds = 0

191
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@ -1,191 +0,0 @@
LAMMPS (30 Apr 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 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
master list distance cutoff = 2.8
Memory usage per processor = 2.48839 Mbytes
Step Temp E_pair Press 10[3] 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 6.3578915 1.0304709 1.0193906
1300 16.423942 -19.757195 3.9029703 1.1191136 1.0083102
1400 14.992964 -18.077286 1.7609943 1.0858726 1.0193906
1500 14.059514 -17.127677 0.72639058 1.0637119 1.0083102
1600 13.698773 -16.691536 1.8971735 1.0415512 1.0083102
1700 13.184191 -16.185346 1.8630222 1.0415512 1.0083102
1800 12.949877 -16.028407 1.7247963 1.0969529 1.0083102
1900 12.936446 -15.911706 1.5186066 1.0526316 1.0193906
2000 12.505529 -15.403674 1.3675221 1.0637119 1.0083102
2100 12.489764 -15.364949 1.5970061 1.0415512 1.0083102
2200 12.025834 -14.859898 1.0791469 1.0415512 1.0193906
2300 11.794308 -14.640425 1.0811736 1.1191136 1.0193906
2400 11.851383 -14.711643 1.0192235 1.0304709 1.0193906
2500 11.355893 -14.113295 1.9319761 1.0193906 1.0193906
2600 11.222343 -13.986905 1.1041668 1.0415512 1.0083102
2700 11.369731 -14.121962 1.3170052 1.0304709 1.0193906
2800 11.079203 -13.708929 0.79334821 1.0083102 1.0083102
2900 10.773067 -13.394152 1.4982518 1.0304709 1.0193906
3000 10.892764 -13.52233 1.2180782 1.0415512 1.0304709
3100 11.001687 -13.674749 1.1645569 1.0526316 1.0304709
3200 10.649286 -13.382677 1.0583139 1.0415512 1.0193906
3300 10.514631 -13.217705 1.3514492 1.0415512 1.0083102
3400 10.151353 -12.828103 1.1465149 1.0193906 1.0083102
3500 10.554359 -13.221088 0.83912569 1.0193906 1.0083102
3600 9.9853731 -12.871036 1.2920983 1.0083102 1.0083102
3700 9.9660476 -12.654337 1.4997415 1.0193906 1.0083102
3800 9.8890621 -12.596805 1.4418485 1.0193906 1.0193906
3900 9.483282 -12.185658 0.99044386 1.0193906 1.0083102
4000 8.9936159 -11.625267 1.224961 1.0304709 1.0304709
4100 9.2618611 -11.919607 1.2251011 1.0304709 1.0193906
4200 8.8542509 -11.524339 0.92352142 1.0304709 1.0193906
4300 9.038485 -11.670248 1.5834321 1.0304709 1.0193906
4400 8.9493715 -11.569957 1.2127124 1.0193906 1.0083102
4500 8.7758645 -11.414209 1.2210127 1.0304709 1.0193906
4600 8.7346152 -11.332848 0.88041846 1.0083102 1.0083102
4700 8.8577769 -11.482483 0.68468531 1.0304709 1.0083102
4800 8.7909916 -11.450019 0.8737893 1.0083102 1.0304709
4900 8.314233 -10.8929 0.98560176 1.0415512 1.0083102
5000 8.2414763 -10.841934 0.63350319 1.0415512 1.0193906
5100 8.4664954 -11.0405 0.8281031 1.0193906 1.0083102
5200 8.0107663 -10.575915 1.132358 1.0193906 1.0193906
5300 8.2608955 -10.87756 1.1142549 1.0193906 1.0083102
5400 8.1292036 -10.696836 1.1036934 1.0415512 1.0083102
5500 7.9955682 -10.586337 0.41580511 1.0304709 1.0193906
5600 8.0170525 -10.562609 0.29443849 1.0304709 1.0193906
5700 8.1041297 -10.709608 0.44705545 1.0415512 1.0083102
5800 7.9760502 -10.53919 0.92282224 1.0415512 1.0083102
5900 8.2371884 -10.832509 1.2113168 1.0304709 1.0193906
6000 7.5399669 -10.061349 0.45157463 1.0304709 1.0193906
6100 7.7373808 -10.266548 0.96576482 1.0304709 1.0304709
6200 7.6461587 -10.187003 0.67322589 1.0304709 1.0193906
6300 7.4867499 -10.111949 0.78995902 1.0193906 1.0083102
6400 7.2355762 -9.7306616 0.95665677 1.0193906 1.0083102
6500 7.1003746 -9.5838367 1.1355825 1.0304709 1.0193906
6600 7.3683316 -9.8747381 0.76946743 1.0415512 1.0193906
6700 7.1175533 -9.6036902 0.61782064 1.0304709 1.0083102
6800 7.2909843 -9.7933269 0.68779055 1.0083102 1.0193906
6900 7.0430777 -9.5500273 0.557972 1.0304709 1.0083102
7000 6.820865 -9.3559604 0.50013416 1.0193906 1.0083102
7100 6.8987277 -9.3991085 0.79584203 1.0193906 1.0304709
7200 6.9844115 -9.5053848 1.1238865 1.0083102 1.0083102
7300 7.2023936 -9.7504736 0.95360395 1.0637119 1.0083102
7400 7.1549227 -9.6811791 0.26702828 1.0304709 1.0193906
7500 7.5795631 -10.109514 0.26594292 1.0193906 1.0193906
7600 7.1493172 -9.64143 0.70057871 1.0193906 1.0083102
7700 6.87253 -9.3712281 0.53620389 1.0304709 1.0193906
7800 7.2518947 -9.7781315 1.117414 1.0304709 1.0193906
7900 7.0083044 -9.5047059 0.63960151 1.0193906 1.0193906
8000 6.8951011 -9.4363474 0.61097345 1.0304709 1.0083102
8100 7.1545654 -9.6664376 0.9217036 1.0193906 1.0193906
8200 7.0259365 -9.523774 0.3976321 1.0193906 1.0193906
8300 6.8000736 -9.3039072 0.44970022 1.0304709 1.0193906
8400 6.6404743 -9.1416398 0.79351567 1.0304709 1.0083102
8500 6.745208 -9.2316347 0.61164027 1.0415512 1.0083102
8600 6.2493721 -8.701589 0.44798212 1.0304709 1.0083102
8700 6.3052745 -8.7551668 0.88018669 1.0083102 1.0193906
8800 6.3273372 -8.7742545 0.55332042 1.0193906 1.0193906
8900 6.2496438 -8.6922655 0.70345417 1.0415512 1.0083102
9000 6.4515989 -8.9048762 0.483959 1.0304709 1.0193906
9100 6.1959749 -8.6487957 0.96086129 1.0083102 1.0083102
9200 6.2716603 -8.7327496 1.0034895 1.0193906 1.0193906
9300 6.3778361 -8.8315327 0.69080986 1.0193906 1.0304709
9400 6.4512359 -8.9154216 1.1151428 1.0193906 1.0193906
9500 6.5260897 -8.9974427 0.85839534 1.0304709 1.0193906
9600 6.3310464 -8.7986745 0.81119755 1.0193906 1.0193906
9700 6.2176828 -8.6696475 0.46509299 1.0193906 1.0083102
9800 5.7986531 -8.238854 0.3168254 1.0193906 1.0083102
9900 5.6764786 -8.1210143 0.86807381 1.0193906 1.0083102
10000 5.8112627 -8.2366032 1.0200393 1.0415512 1.0083102
Loop time of 0.343422 on 4 procs for 10000 steps with 361 atoms
Pair time (%) = 0.0779191 (22.689)
Neigh time (%) = 0.0711406 (20.7152)
Comm time (%) = 0.10753 (31.3112)
Outpt time (%) = 0.00158221 (0.460717)
Other time (%) = 0.0852507 (24.8239)
Nlocal: 90.25 ave 91 max 89 min
Histogram: 1 0 0 0 0 1 0 0 0 2
Nghost: 31 ave 38 max 18 min
Histogram: 1 0 0 0 0 0 0 1 1 1
Neighs: 269 ave 461 max 155 min
Histogram: 1 1 0 1 0 0 0 0 0 1
Total # of neighbors = 1076
Ave neighs/atom = 2.98061
Neighbor list builds = 3680
Dangerous builds = 0