diff --git a/examples/balance/log.15Feb16.balance.bond.fast.g++.1 b/examples/balance/log.15Feb16.balance.bond.fast.g++.1 deleted file mode 100644 index 3d87f5e0e..000000000 --- a/examples/balance/log.15Feb16.balance.bond.fast.g++.1 +++ /dev/null @@ -1,225 +0,0 @@ -LAMMPS (15 Feb 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 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 - 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 -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 - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 2.8 - ghost atom cutoff = 7.5 - binsize = 1.4 -> bins = 42 29 1 -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 1.67474 on 1 procs for 10000 steps with 361 atoms - -Performance: 2579511.004 tau/day, 5971.090 timesteps/s -99.8% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.47884 | 0.47884 | 0.47884 | 0.0 | 28.59 -Bond | 0.24918 | 0.24918 | 0.24918 | 0.0 | 14.88 -Neigh | 0.82974 | 0.82974 | 0.82974 | 0.0 | 49.54 -Comm | 0.01265 | 0.01265 | 0.01265 | 0.0 | 0.76 -Output | 0.00085878 | 0.00085878 | 0.00085878 | 0.0 | 0.05 -Modify | 0.075636 | 0.075636 | 0.075636 | 0.0 | 4.52 -Other | | 0.02783 | | | 1.66 - -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 -Total wall time: 0:00:01 diff --git a/examples/balance/log.15Feb16.balance.bond.fast.g++.4 b/examples/balance/log.15Feb16.balance.bond.fast.g++.4 deleted file mode 100644 index cbc7bc041..000000000 --- a/examples/balance/log.15Feb16.balance.bond.fast.g++.4 +++ /dev/null @@ -1,225 +0,0 @@ -LAMMPS (15 Feb 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 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 - 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 -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 - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 2.8 - ghost atom cutoff = 7.5 - binsize = 1.4 -> bins = 42 29 1 -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 -21.524279 2.372849 1.3296399 1.0083102 - 700 36.70516 -21.98396 3.2995108 1.3296399 1.0083102 - 800 39.53521 -25.672748 4.3257712 1.3961219 1.0083102 - 900 38.566797 -24.778382 4.1874914 1.3739612 1.0083102 - 1000 37.506157 -25.381025 5.6634589 1.4182825 1.0193906 - 1100 34.186888 -23.460558 5.2123037 1.2963989 1.0083102 - 1200 33.302788 -22.509552 4.9394032 1.1745152 1.0193906 - 1300 33.271956 -22.831342 4.5519649 1.1966759 1.0083102 - 1400 30.344677 -20.654604 4.1641375 1.0969529 1.0193906 - 1500 27.292624 -18.180523 1.0686706 1.1412742 1.0083102 - 1600 26.787948 -15.907011 1.7236133 1.1745152 1.0193906 - 1700 25.708419 -15.568774 0.73006531 1.1080332 1.0193906 - 1800 26.523196 -14.641077 0.78443231 1.1301939 1.0083102 - 1900 25.151151 -13.927975 1.1760729 1.1080332 1.0193906 - 2000 27.637036 -15.055467 1.5903524 1.1301939 1.0083102 - 2100 27.642772 -14.038356 2.4101976 1.2077562 1.0083102 - 2200 27.178261 -13.277262 1.9252291 1.1745152 1.0193906 - 2300 25.615526 -12.67851 0.88527229 1.1634349 1.0083102 - 2400 24.918218 -13.029669 0.95714212 1.1966759 1.0193906 - 2500 27.302154 -13.02629 1.3556788 1.1080332 1.0193906 - 2600 26.798157 -13.78042 2.703198 1.1855956 1.0083102 - 2700 27.24573 -16.504845 3.1771274 1.1523546 1.0193906 - 2800 24.592313 -14.795322 1.6473982 1.0969529 1.0193906 - 2900 22.803769 -13.043913 0.71978239 1.0969529 1.0083102 - 3000 21.388681 -13.323114 -1.3437735 1.0858726 1.0083102 - 3100 21.929044 -11.627262 -0.38509856 1.1191136 1.0083102 - 3200 22.350115 -10.438826 0.7833392 1.0526316 1.0083102 - 3300 22.619011 -9.9110914 1.4143766 1.1191136 1.0193906 - 3400 24.251234 -11.712256 1.4299187 1.0969529 1.0193906 - 3500 25.633796 -12.609976 1.4809529 1.0969529 1.0083102 - 3600 23.070279 -11.178798 0.35315388 1.1191136 1.0083102 - 3700 22.635771 -10.360523 0.060253018 1.1412742 1.0193906 - 3800 20.746426 -9.7066538 0.24549731 1.0526316 1.0083102 - 3900 22.467121 -10.469368 0.9854352 1.0969529 1.0193906 - 4000 22.658639 -10.781605 0.014232783 1.1191136 1.0083102 - 4100 22.839698 -10.528796 1.3995223 1.0526316 1.0083102 - 4200 23.52621 -12.150065 0.74863439 1.0747922 1.0193906 - 4300 24.401948 -11.703236 0.25019621 1.0637119 1.0193906 - 4400 22.769001 -11.763045 -0.033044917 1.1412742 1.0083102 - 4500 22.170178 -11.572473 -0.40444128 1.0526316 1.0083102 - 4600 22.409231 -10.761099 -0.012942618 1.0747922 1.0083102 - 4700 22.953641 -10.999181 0.17199357 1.0637119 1.0083102 - 4800 22.746977 -10.69943 -0.050664647 1.0526316 1.0083102 - 4900 23.784023 -10.353932 0.55400224 1.0747922 1.0304709 - 5000 23.250563 -11.567067 -0.23735032 1.0637119 1.0083102 - 5100 22.521138 -10.661998 0.50094359 1.0747922 1.0083102 - 5200 21.318659 -9.5996948 0.75683786 1.0637119 1.0193906 - 5300 21.603355 -10.042239 -0.2376815 1.0637119 1.0083102 - 5400 21.350407 -10.181041 -0.87085628 1.1745152 1.0193906 - 5500 22.430002 -10.535576 0.47962005 1.1191136 1.0193906 - 5600 22.459036 -11.914086 0.47719353 1.0858726 1.0193906 - 5700 23.348257 -12.888911 0.55511547 1.0858726 1.0193906 - 5800 23.357742 -12.328566 0.734193 1.0526316 1.0193906 - 5900 24.002277 -11.439187 0.23688862 1.0858726 1.0193906 - 6000 22.398563 -10.682615 0.28777592 1.0747922 1.0193906 - 6100 22.23883 -10.838986 -0.17956279 1.1080332 1.0083102 - 6200 21.930735 -11.182485 0.044031465 1.0526316 1.0193906 - 6300 22.658226 -11.142419 0.060550217 1.0526316 1.0193906 - 6400 22.375935 -11.1764 -0.027267206 1.0526316 1.0193906 - 6500 21.553541 -9.9609653 1.0562139 1.0858726 1.0193906 - 6600 23.339323 -10.988956 0.19462502 1.0526316 1.0083102 - 6700 22.506968 -11.276791 0.50225378 1.0969529 1.0083102 - 6800 22.991741 -10.292043 1.3278137 1.0858726 1.0193906 - 6900 22.716461 -10.540264 1.090723 1.0304709 1.0083102 - 7000 20.88433 -10.566053 -0.47976012 1.0969529 1.0193906 - 7100 22.034864 -10.27774 0.24169213 1.0193906 1.0083102 - 7200 23.107403 -10.304771 0.39888005 1.0969529 1.0304709 - 7300 22.734104 -9.8038963 1.1986757 1.0858726 1.0083102 - 7400 23.566402 -10.560548 1.0213434 1.1080332 1.0193906 - 7500 23.651346 -10.596902 1.290057 1.0969529 1.0083102 - 7600 23.181407 -10.247073 0.80701327 1.0526316 1.0083102 - 7700 23.778698 -10.659208 0.54327672 1.0304709 1.0193906 - 7800 22.655159 -10.183303 0.81382393 1.0747922 1.0193906 - 7900 22.897008 -10.849819 0.56424197 1.0415512 1.0083102 - 8000 23.698074 -10.398048 0.42170034 1.0747922 1.0083102 - 8100 22.726563 -9.8563277 0.30293638 1.0193906 1.0193906 - 8200 23.424699 -10.687885 0.54222367 1.0415512 1.0083102 - 8300 22.921826 -10.919492 0.55264172 1.0747922 1.0083102 - 8400 23.220159 -9.7725217 1.2872547 1.1080332 1.0083102 - 8500 23.606204 -9.7070499 1.0340181 1.0747922 1.0193906 - 8600 23.008166 -10.451507 -0.42524326 1.0747922 1.0083102 - 8700 22.4959 -10.278782 0.19535494 1.0858726 1.0083102 - 8800 25.153658 -10.757 1.5966743 1.0193906 1.0193906 - 8900 23.206798 -10.486994 1.2031737 1.0637119 1.0083102 - 9000 22.726684 -10.406196 0.10165144 1.0858726 1.0304709 - 9100 22.504045 -9.638919 -0.80560991 1.0747922 1.0083102 - 9200 21.431928 -9.073801 0.3773795 1.0415512 1.0193906 - 9300 23.596502 -11.045041 -0.3135787 1.0858726 1.0083102 - 9400 25.308669 -11.931174 1.3143518 1.0526316 1.0193906 - 9500 24.394499 -10.661499 0.82236963 1.0969529 1.0193906 - 9600 21.987451 -9.5632699 0.30728292 1.0858726 1.0193906 - 9700 22.150748 -9.5707928 -0.1239396 1.0526316 1.0193906 - 9800 23.347328 -9.7899306 0.29737715 1.0193906 1.0083102 - 9900 20.310207 -9.4839992 -1.2980277 1.0193906 1.0193906 - 10000 22.978427 -9.9593786 -0.45943368 1.0526316 1.0083102 -Loop time of 0.815364 on 4 procs for 10000 steps with 361 atoms - -Performance: 5298244.819 tau/day, 12264.456 timesteps/s -98.9% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.12547 | 0.13632 | 0.14796 | 2.6 | 16.72 -Bond | 0.05547 | 0.06023 | 0.064582 | 1.7 | 7.39 -Neigh | 0.28201 | 0.28972 | 0.298 | 1.1 | 35.53 -Comm | 0.16858 | 0.19467 | 0.22096 | 4.3 | 23.88 -Output | 0.0017931 | 0.0019639 | 0.0023253 | 0.5 | 0.24 -Modify | 0.039718 | 0.040559 | 0.041364 | 0.4 | 4.97 -Other | | 0.09189 | | | 11.27 - -Nlocal: 90.25 ave 91 max 90 min -Histogram: 3 0 0 0 0 0 0 0 0 1 -Nghost: 195.25 ave 202 max 185 min -Histogram: 1 0 0 0 0 1 0 0 1 1 -Neighs: 629.5 ave 731 max 543 min -Histogram: 1 1 0 0 0 0 1 0 0 1 - -Total # of neighbors = 2518 -Ave neighs/atom = 6.97507 -Ave special neighs/atom = 5.61773 -Neighbor list builds = 4874 -Dangerous builds = 0 -Total wall time: 0:00:00 diff --git a/examples/balance/log.15Feb16.balance.bond.slow.g++.1 b/examples/balance/log.15Feb16.balance.bond.slow.g++.1 deleted file mode 100644 index f794c76ff..000000000 --- a/examples/balance/log.15Feb16.balance.bond.slow.g++.1 +++ /dev/null @@ -1,524 +0,0 @@ -LAMMPS (15 Feb 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 - -# 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 - 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 -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 - 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 = 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 - 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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 1.94553 on 1 procs for 40000 steps with 361 atoms - -Performance: 8881898.790 tau/day, 20559.951 timesteps/s -100.0% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.068658 | 0.068658 | 0.068658 | 0.0 | 3.53 -Bond | 0.9979 | 0.9979 | 0.9979 | 0.0 | 51.29 -Neigh | 0.50428 | 0.50428 | 0.50428 | 0.0 | 25.92 -Comm | 0.015341 | 0.015341 | 0.015341 | 0.0 | 0.79 -Output | 0.0029466 | 0.0029466 | 0.0029466 | 0.0 | 0.15 -Modify | 0.28324 | 0.28324 | 0.28324 | 0.0 | 14.56 -Other | | 0.07317 | | | 3.76 - -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 -Total wall time: 0:00:01 diff --git a/examples/balance/log.15Feb16.balance.bond.slow.g++.4 b/examples/balance/log.15Feb16.balance.bond.slow.g++.4 deleted file mode 100644 index f07d8e479..000000000 --- a/examples/balance/log.15Feb16.balance.bond.slow.g++.4 +++ /dev/null @@ -1,524 +0,0 @@ -LAMMPS (15 Feb 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 - -# 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 - 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 -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 - 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 = 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 1.0193906 - 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 1.0083102 - 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 1.0083102 - 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 1.0083102 - 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 1.0193906 - 10300 0.32325593 0 0.11558149 1.0304709 1.0193906 - 10400 0.30927871 0 0.12239437 1.0083102 1.0083102 - 10500 0.33176799 0 0.12285937 1.0193906 1.0193906 - 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 1.0193906 - 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 1.0304709 - 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 1.0083102 - 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 1.0193906 - 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 1.0083102 - 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 1.0193906 - 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 1.0193906 - 15200 0.35328398 0 -0.020236536 1.0193906 1.0193906 - 15300 0.34252669 0 0.026434179 1.0083102 1.0193906 - 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 1.0193906 - 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 1.0083102 - 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 1.0083102 - 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 - 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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 1.0083102 - 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 1.0193906 - 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 1.0193906 - 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 1.0193906 - 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 1.0304709 - 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 1.0193906 - 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 1.0304709 - 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 1.0083102 - 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 1.0083102 - 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 1.06031 on 4 procs for 40000 steps with 361 atoms - -Performance: 16297104.069 tau/day, 37724.778 timesteps/s -99.2% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.019866 | 0.021036 | 0.024189 | 1.3 | 1.98 -Bond | 0.21436 | 0.24183 | 0.27259 | 5.1 | 22.81 -Neigh | 0.16022 | 0.16068 | 0.16101 | 0.1 | 15.15 -Comm | 0.2742 | 0.31331 | 0.3498 | 5.6 | 29.55 -Output | 0.0070348 | 0.0075188 | 0.0087383 | 0.8 | 0.71 -Modify | 0.14238 | 0.14861 | 0.15484 | 1.3 | 14.02 -Other | | 0.1673 | | | 15.78 - -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 0 0 2 1 -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 -Total wall time: 0:00:01 diff --git a/examples/balance/log.15Feb16.balance.g++.1 b/examples/balance/log.15Feb16.balance.g++.1 deleted file mode 100644 index d973de267..000000000 --- a/examples/balance/log.15Feb16.balance.g++.1 +++ /dev/null @@ -1,202 +0,0 @@ -LAMMPS (15 Feb 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) - 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 - 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 = 2.47688 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 0.675636 on 1 procs for 10000 steps with 361 atoms - -Performance: 6393974.952 tau/day, 14800.868 timesteps/s -99.7% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.29845 | 0.29845 | 0.29845 | 0.0 | 44.17 -Neigh | 0.26869 | 0.26869 | 0.26869 | 0.0 | 39.77 -Comm | 0.006007 | 0.006007 | 0.006007 | 0.0 | 0.89 -Output | 0.00076938 | 0.00076938 | 0.00076938 | 0.0 | 0.11 -Modify | 0.077204 | 0.077204 | 0.077204 | 0.0 | 11.43 -Other | | 0.02452 | | | 3.63 - -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 -Total wall time: 0:00:00 diff --git a/examples/balance/log.15Feb16.balance.g++.4 b/examples/balance/log.15Feb16.balance.g++.4 deleted file mode 100644 index 33381520c..000000000 --- a/examples/balance/log.15Feb16.balance.g++.4 +++ /dev/null @@ -1,202 +0,0 @@ -LAMMPS (15 Feb 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 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 17.214459 -20.726965 6.3578917 1.0304709 1.0193906 - 1300 16.424154 -19.757386 3.9027133 1.1191136 1.0083102 - 1400 15.04233 -18.126227 1.7539398 1.0858726 1.0193906 - 1500 13.749022 -16.839766 1.4654778 1.0747922 1.0083102 - 1600 13.888812 -16.855703 1.8972035 1.0858726 1.0304709 - 1700 13.647879 -16.652436 1.5110481 1.0526316 1.0304709 - 1800 12.61308 -15.580445 2.1861667 1.0083102 1.0083102 - 1900 12.700272 -15.594505 1.6395684 1.0304709 1.0083102 - 2000 12.204319 -15.16754 1.6302417 1.1080332 1.0083102 - 2100 11.921129 -14.774621 1.4311256 1.0858726 1.0083102 - 2200 11.959274 -14.797326 1.4920985 1.0415512 1.0083102 - 2300 11.633606 -14.455284 1.4447243 1.1412742 1.0193906 - 2400 12.180014 -14.719121 1.4582702 1.0304709 1.0083102 - 2500 11.779995 -14.293633 1.2961686 1.0304709 1.0083102 - 2600 11.86013 -14.272853 1.1970414 1.0415512 1.0193906 - 2700 11.360658 -13.772549 1.192957 1.0526316 1.0083102 - 2800 11.045632 -13.438591 1.2007074 1.0083102 1.0193906 - 2900 10.689472 -13.127138 0.94544611 1.0193906 1.0193906 - 3000 10.445298 -12.809325 1.3035047 1.0304709 1.0193906 - 3100 10.22325 -12.599858 1.7838342 1.0304709 1.0083102 - 3200 10.226845 -12.602391 0.91456469 1.0304709 1.0193906 - 3300 9.8906692 -12.204654 1.4538962 1.0415512 1.0193906 - 3400 9.0246858 -11.627057 1.1929498 1.0304709 1.0193906 - 3500 9.4549317 -11.747347 0.92966653 1.0193906 1.0193906 - 3600 9.2467281 -11.534358 0.94959796 1.0415512 1.0083102 - 3700 9.1099307 -11.381318 1.2963887 1.0193906 1.0083102 - 3800 9.2236074 -11.483205 1.3510186 1.1080332 1.0193906 - 3900 8.6105519 -10.877844 1.3591509 1.0304709 1.0083102 - 4000 8.588698 -10.846126 0.76473884 1.0415512 1.0083102 - 4100 8.5960453 -10.831229 0.93758423 1.0747922 1.0193906 - 4200 8.1049344 -10.436054 0.74947412 1.0526316 1.0083102 - 4300 8.2606129 -10.471049 0.64465155 1.0193906 1.0193906 - 4400 8.0777962 -10.288476 1.1145052 1.0193906 1.0083102 - 4500 7.9202904 -10.10427 0.49016698 1.0304709 1.0083102 - 4600 8.2366755 -10.434942 0.65930769 1.0193906 1.0083102 - 4700 7.9313531 -10.13685 1.097861 1.0304709 1.0083102 - 4800 7.8637296 -10.085957 0.56015483 1.0304709 1.0193906 - 4900 7.3410322 -9.5357686 0.89340163 1.0304709 1.0193906 - 5000 7.6647481 -9.8529515 0.8283225 1.0193906 1.0193906 - 5100 7.4114006 -9.5917802 0.64812231 1.0083102 1.0193906 - 5200 7.6261959 -9.8178843 0.90517452 1.0193906 1.0083102 - 5300 7.6501619 -9.8428477 1.028077 1.0304709 1.0083102 - 5400 7.4694373 -9.6434672 0.38259983 1.0193906 1.0083102 - 5500 7.3111918 -9.4803007 0.47921149 1.0193906 1.0193906 - 5600 7.2132446 -9.3694039 0.71282856 1.0193906 1.0083102 - 5700 6.8349744 -9.0018958 0.85688618 1.0193906 1.0083102 - 5800 7.1978042 -9.3667457 0.61717818 1.0304709 1.0193906 - 5900 7.1441033 -9.3263118 0.32840394 1.0193906 1.0083102 - 6000 7.0943691 -9.2621241 1.3099316 1.0083102 1.0083102 - 6100 6.9547586 -9.1026607 0.44492974 1.0193906 1.0083102 - 6200 7.0932682 -9.2934579 0.93444691 1.0415512 1.0083102 - 6300 7.0536275 -9.2562193 0.57578551 1.0193906 1.0193906 - 6400 6.8839921 -9.0513091 0.65690774 1.0193906 1.0083102 - 6500 6.7618431 -8.9037814 0.6011838 1.0304709 1.0193906 - 6600 6.6600729 -8.7979286 0.73495903 1.0193906 1.0193906 - 6700 6.6544136 -8.8089155 0.41206297 1.0304709 1.0193906 - 6800 6.7935502 -8.9405122 1.022055 1.0193906 1.0083102 - 6900 6.6603594 -8.8085894 0.4271189 1.0526316 1.0193906 - 7000 6.4894888 -8.6794785 0.64389173 1.0526316 1.0193906 - 7100 6.6252776 -8.776746 1.3915989 1.0193906 1.0193906 - 7200 6.6680717 -8.8468379 0.60275261 1.0193906 1.0193906 - 7300 6.697874 -8.8458161 0.50887488 1.0637119 1.0083102 - 7400 6.2112277 -8.340139 0.45211042 1.0415512 1.0193906 - 7500 6.4923853 -8.6255862 0.79982162 1.0083102 1.0193906 - 7600 6.2922271 -8.4027197 0.33603817 1.0304709 1.0083102 - 7700 6.5744688 -8.7079756 0.51620003 1.0415512 1.0083102 - 7800 6.6730316 -8.8278613 1.2334484 1.0304709 1.0083102 - 7900 6.3831791 -8.4878853 0.49555781 1.0415512 1.0193906 - 8000 6.690559 -8.7918607 0.88102021 1.0415512 1.0083102 - 8100 6.5390375 -8.6612074 0.45605815 1.0304709 1.0193906 - 8200 6.6957638 -8.8406262 0.45001955 1.0193906 1.0083102 - 8300 6.8684401 -9.0293678 0.64215355 1.0083102 1.0083102 - 8400 6.4416293 -8.5841829 0.53513285 1.0193906 1.0193906 - 8500 6.6854101 -8.8269391 0.81750487 1.0637119 1.0083102 - 8600 6.588469 -8.7315753 0.33201251 1.0083102 1.0083102 - 8700 6.2974312 -8.4104697 0.57054382 1.0083102 1.0083102 - 8800 6.4691853 -8.5985479 0.95554418 1.0415512 1.0083102 - 8900 6.7437807 -8.8949865 0.69067866 1.0415512 1.0083102 - 9000 6.5681473 -8.6984555 0.88464065 1.0193906 1.0083102 - 9100 6.6158471 -8.7398687 0.72347757 1.0193906 1.0083102 - 9200 6.4521137 -8.6048511 0.75093363 1.0193906 1.0193906 - 9300 6.4179685 -8.5582051 1.0072192 1.0083102 1.0083102 - 9400 6.580258 -8.7234535 0.56842466 1.0193906 1.0193906 - 9500 6.4125418 -8.56348 0.36394135 1.0304709 1.0193906 - 9600 6.6723409 -8.8402798 0.56711277 1.0304709 1.0193906 - 9700 6.4522736 -8.594767 0.43495668 1.0193906 1.0083102 - 9800 6.2127437 -8.3329761 0.68977311 1.0304709 1.0193906 - 9900 6.4360513 -8.5839262 1.1702062 1.0304709 1.0193906 - 10000 6.3393653 -8.4396274 0.46277884 1.0304709 1.0193906 -Loop time of 0.389322 on 4 procs for 10000 steps with 361 atoms - -Performance: 11096205.412 tau/day, 25685.661 timesteps/s -98.7% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.061902 | 0.074659 | 0.098288 | 5.1 | 19.18 -Neigh | 0.061993 | 0.067136 | 0.078793 | 2.6 | 17.24 -Comm | 0.10335 | 0.13334 | 0.15511 | 5.6 | 34.25 -Output | 0.0017662 | 0.0020409 | 0.0027893 | 1.0 | 0.52 -Modify | 0.037374 | 0.038055 | 0.038669 | 0.2 | 9.77 -Other | | 0.07409 | | | 19.03 - -Nlocal: 90.25 ave 92 max 88 min -Histogram: 1 0 0 0 0 1 0 1 0 1 -Nghost: 36 ave 38 max 34 min -Histogram: 1 0 0 0 0 2 0 0 0 1 -Neighs: 276.75 ave 448 max 153 min -Histogram: 2 0 0 0 0 0 1 0 0 1 - -Total # of neighbors = 1107 -Ave neighs/atom = 3.06648 -Neighbor list builds = 3472 -Dangerous builds = 0 -Total wall time: 0:00:00