1LAMMPS (27 Nov 2018) 2 using 1 OpenMP thread(s) per MPI task 3# 2d circle of particles inside a box with LJ walls 4 5variable b index 0 6 7variable x index 50 8variable y index 20 9variable d index 20 10 11# careful not to slam into wall too hard 12 13variable v index 0.3 14variable w index 0.08 15 16units lj 17dimension 2 18atom_style bond 19boundary f f p 20 21lattice hex 0.85 22Lattice spacing in x,y,z = 1.16553 2.01877 1.16553 23region box block 0 $x 0 $y -0.5 0.5 24region box block 0 50 0 $y -0.5 0.5 25region box block 0 50 0 20 -0.5 0.5 26create_box 1 box bond/types 1 extra/bond/per/atom 6 27Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767) 28 2 by 1 by 1 MPI processor grid 29region circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2) 30region circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2) 31region circle sphere 11 6.7735026918962581988 0.0 $(v_d/2) 32region circle sphere 11 6.7735026918962581988 0.0 10 33create_atoms 1 region circle 34Created 361 atoms 35 Time spent = 0.000762701 secs 36mass 1 1.0 37 38velocity all create 0.5 87287 loop geom 39velocity all set $v $w 0 sum yes 40velocity all set 0.3 $w 0 sum yes 41velocity all set 0.3 0.08 0 sum yes 42 43pair_style lj/cut 2.5 44pair_coeff 1 1 10.0 1.0 2.5 45 46bond_style harmonic 47bond_coeff 1 10.0 1.2 48 49create_bonds many all all 1 1.0 1.5 50Neighbor list info ... 51 update every 1 steps, delay 10 steps, check yes 52 max neighbors/atom: 2000, page size: 100000 53 master list distance cutoff = 2.8 54 ghost atom cutoff = 2.8 55 binsize = 1.4, bins = 42 29 1 56 2 neighbor lists, perpetual/occasional/extra = 1 1 0 57 (1) command create_bonds, occasional 58 attributes: full, newton on 59 pair build: full/bin 60 stencil: full/bin/2d 61 bin: standard 62 (2) pair lj/cut, perpetual 63 attributes: half, newton on 64 pair build: half/bin/newton 65 stencil: half/bin/2d/newton 66 bin: standard 67Added 1014 bonds, new total = 1014 68 6 = max # of 1-2 neighbors 69 30 = max # of 1-3 neighbors 70 180 = max # of 1-4 neighbors 71 36 = max # of special neighbors 72 73neighbor 0.3 bin 74neigh_modify delay 0 every 1 check yes 75 76fix 1 all nve 77 78fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5 79fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5 80fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5 81fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5 82 83comm_style tiled 84fix 10 all balance 50 0.9 rcb 85 86#compute 1 all property/atom proc 87#variable p atom (c_1%10)+1 88#dump 2 all custom 50 tmp.dump id v_p x y z 89 90#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 91#variable colors string # "red green blue yellow white # purple pink orange lime gray" 92#dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors} 93 94thermo_style custom step temp epair press f_10[3] f_10 95thermo 100 96 97run 40000 98Neighbor list info ... 99 update every 1 steps, delay 0 steps, check yes 100 max neighbors/atom: 2000, page size: 100000 101 master list distance cutoff = 2.8 102 ghost atom cutoff = 2.8 103 binsize = 1.4, bins = 42 29 1 104 1 neighbor lists, perpetual/occasional/extra = 1 0 0 105 (1) pair lj/cut, perpetual 106 attributes: half, newton on 107 pair build: half/bin/newton 108 stencil: half/bin/2d/newton 109 bin: standard 110Per MPI rank memory allocation (min/avg/max) = 7.079 | 7.108 | 7.137 Mbytes 111Step Temp E_pair Press f_10[3] f_10 112 0 0.57437856 0 0.26099453 2 1.0193906 113 100 0.29756515 0 0.10149401 1.0027701 1.0027701 114 200 0.35394813 0 0.075159099 1.0027701 1.0083102 115 300 0.39245849 0 0.033002384 1.0027701 1.0027701 116 400 0.34078347 0 -0.020825841 1.0083102 1.0027701 117 500 0.35201095 0 -0.062637506 1.0027701 1.0027701 118 600 0.34014717 0 -0.11122965 1.0249307 1.0027701 119 700 0.3323524 0 -0.11598015 1.0083102 1.0027701 120 800 0.35116047 0 -0.096162395 1.0138504 1.0027701 121 900 0.35695352 0 -0.01385176 1.0249307 1.0027701 122 1000 0.36986539 0 0.056772858 1.0027701 1.0027701 123 1100 0.34584644 0 0.084941323 1.0138504 1.0027701 124 1200 0.31921435 0 0.10545078 1.0138504 1.0027701 125 1300 0.32952819 0 0.124902 1.0027701 1.0027701 126 1400 0.34497365 0 0.12662081 1.0138504 1.0027701 127 1500 0.33429243 0 0.096230972 1.0193906 1.0027701 128 1600 0.33765387 0 0.025800542 1.0193906 1.0027701 129 1700 0.35134464 0 -0.04422593 1.0083102 1.0027701 130 1800 0.35003859 0 -0.096745576 1.0083102 1.0083102 131 1900 0.33839618 0 -0.095465943 1.0027701 1.0027701 132 2000 0.33732078 0 -0.094652802 1.0027701 1.0027701 133 2100 0.34552238 0 -0.076729261 1.0083102 1.0027701 134 2200 0.34893142 0 -0.036853228 1.0083102 1.0083102 135 2300 0.35379341 0 0.021124847 1.0193906 1.0027701 136 2400 0.34829744 0 0.09230184 1.0027701 1.0027701 137 2500 0.33038141 0 0.1399855 1.0027701 1.0083102 138 2600 0.30983019 0 0.12754742 1.0083102 1.0027701 139 2700 0.32992561 0 0.10485138 1.0193906 1.0027701 140 2800 0.34604747 0 0.066174138 1.0083102 1.0027701 141 2900 0.3444791 0 0.036590652 1.0083102 1.0083102 142 3000 0.34721342 0 -0.023793368 1.0138504 1.0027701 143 3100 0.33404314 0 -0.08374223 1.0083102 1.0027701 144 3200 0.33019355 0 -0.12715599 1.0083102 1.0027701 145 3300 0.33515177 0 -0.12217394 1.0083102 1.0027701 146 3400 0.33628481 0 -0.070877624 1.0083102 1.0027701 147 3500 0.34257038 0 -0.021612062 1.0027701 1.0027701 148 3600 0.32838009 0 0.030131228 1.0027701 1.0027701 149 3700 0.34462142 0 0.074586378 1.0138504 1.0027701 150 3800 0.30891825 0 0.10605673 1.0138504 1.0027701 151 3900 0.33847951 0 0.13956139 1.0027701 1.0027701 152 4000 0.32952079 0 0.12688129 1.0027701 1.0027701 153 4100 0.32646772 0 0.081089042 1.0083102 1.0027701 154 4200 0.35399503 0 0.013422873 1.0027701 1.0027701 155 4300 0.33154914 0 -0.050919508 1.0027701 1.0083102 156 4400 0.34113556 0 -0.083171 1.0249307 1.0027701 157 4500 0.32651708 0 -0.1063133 1.0193906 1.0027701 158 4600 0.34359609 0 -0.1076395 1.0027701 1.0027701 159 4700 0.34973537 0 -0.088231606 1.0138504 1.0027701 160 4800 0.35198515 0 -0.020901044 1.0027701 1.0027701 161 4900 0.35187284 0 0.043645941 1.0193906 1.0027701 162 5000 0.34887336 0 0.095698609 1.0027701 1.0027701 163 5100 0.30308163 0 0.11649328 1.0138504 1.0027701 164 5200 0.32401285 0 0.12072411 1.0083102 1.0083102 165 5300 0.33025072 0 0.10933161 1.0138504 1.0027701 166 5400 0.33288012 0 0.078356448 1.0083102 1.0027701 167 5500 0.35142492 0 0.036958063 1.0027701 1.0027701 168 5600 0.35125368 0 -0.041371343 1.0193906 1.0027701 169 5700 0.34547744 0 -0.096450846 1.0193906 1.0027701 170 5800 0.30939887 0 -0.12356656 1.0027701 1.0083102 171 5900 0.32315628 0 -0.11338676 1.0083102 1.0027701 172 6000 0.34117485 0 -0.066198961 1.0027701 1.0027701 173 6100 0.35298043 0 -0.016172816 1.0138504 1.0027701 174 6200 0.35130653 0 0.027660468 1.0027701 1.0027701 175 6300 0.35398766 0 0.087221238 1.0027701 1.0027701 176 6400 0.30963379 0 0.11990957 1.0138504 1.0027701 177 6500 0.3174541 0 0.14103528 1.0083102 1.0083102 178 6600 0.31989791 0 0.11575506 1.0083102 1.0083102 179 6700 0.33811477 0 0.060747353 1.0083102 1.0083102 180 6800 0.3424043 0 0.010357152 1.0083102 1.0027701 181 6900 0.34804319 0 -0.042621786 1.0083102 1.0027701 182 7000 0.35357865 0 -0.067248959 1.0027701 1.0027701 183 7100 0.33556885 0 -0.10983726 1.0083102 1.0027701 184 7200 0.33531101 0 -0.112179 1.0027701 1.0027701 185 7300 0.35742607 0 -0.078405267 1.0083102 1.0027701 186 7400 0.34577559 0 -0.01985432 1.0027701 1.0083102 187 7500 0.3498641 0 0.052289439 1.0027701 1.0027701 188 7600 0.33773715 0 0.092939035 1.0027701 1.0027701 189 7700 0.33093497 0 0.11924405 1.0083102 1.0027701 190 7800 0.31435814 0 0.12701724 1.0027701 1.0027701 191 7900 0.33132217 0 0.10793075 1.0083102 1.0027701 192 8000 0.33451798 0 0.077993125 1.0027701 1.0027701 193 8100 0.35188371 0 0.019929977 1.0083102 1.0083102 194 8200 0.33645742 0 -0.039302079 1.0027701 1.0027701 195 8300 0.3415632 0 -0.098067982 1.0138504 1.0027701 196 8400 0.30619282 0 -0.12952879 1.0138504 1.0027701 197 8500 0.34446484 0 -0.098084709 1.0027701 1.0027701 198 8600 0.33761673 0 -0.07069818 1.0027701 1.0027701 199 8700 0.34495452 0 -0.022458056 1.0083102 1.0027701 200 8800 0.33502983 0 0.027742411 1.0027701 1.0027701 201 8900 0.35418591 0 0.092390134 1.0083102 1.0083102 202 9000 0.31648387 0 0.12467398 1.0083102 1.0027701 203 9100 0.33994825 0 0.14460327 1.0138504 1.0027701 204 9200 0.33822571 0 0.11273284 1.0027701 1.0027701 205 9300 0.33260773 0 0.060063671 1.0083102 1.0083102 206 9400 0.36140305 0 0.021427642 1.0138504 1.0027701 207 9500 0.34273562 0 -0.034064202 1.0083102 1.0027701 208 9600 0.33867054 0 -0.089076906 1.0138504 1.0027701 209 9700 0.32088235 0 -0.12027075 1.0138504 1.0083102 210 9800 0.3320823 0 -0.11602794 1.0138504 1.0027701 211 9900 0.33916442 0 -0.080281044 1.0083102 1.0027701 212 10000 0.34852268 0 -0.01000914 1.0083102 1.0083102 213 10100 0.32955942 0 0.04258493 1.0027701 1.0083102 214 10200 0.34487898 0 0.086971308 1.0083102 1.0027701 215 10300 0.32325593 0 0.11558149 1.0138504 1.0027701 216 10400 0.30927871 0 0.12239437 1.0027701 1.0027701 217 10500 0.33176799 0 0.12285937 1.0138504 1.0083102 218 10600 0.35120027 0 0.084897432 1.0027701 1.0027701 219 10700 0.33129697 0 0.0053089279 1.0138504 1.0027701 220 10800 0.36028769 0 -0.04280715 1.0083102 1.0027701 221 10900 0.35552287 0 -0.084955999 1.0138504 1.0027701 222 11000 0.3406024 0 -0.096554577 1.0027701 1.0027701 223 11100 0.33041202 0 -0.10703492 1.0138504 1.0027701 224 11200 0.32442686 0 -0.084328121 1.0193906 1.0027701 225 11300 0.35952468 0 -0.020191965 1.0083102 1.0027701 226 11400 0.34610624 0 0.03440148 1.0138504 1.0027701 227 11500 0.3415612 0 0.1041929 1.0027701 1.0027701 228 11600 0.34040042 0 0.13215705 1.0138504 1.0027701 229 11700 0.33555094 0 0.12738686 1.0193906 1.0027701 230 11800 0.3458647 0 0.10963398 1.0027701 1.0083102 231 11900 0.33836678 0 0.067253864 1.0138504 1.0027701 232 12000 0.34853314 0 0.03201448 1.0027701 1.0027701 233 12100 0.34600048 0 -0.034833402 1.0083102 1.0027701 234 12200 0.33145631 0 -0.09865675 1.0083102 1.0027701 235 12300 0.32848884 0 -0.1248489 1.0083102 1.0027701 236 12400 0.3321344 0 -0.11266575 1.0027701 1.0083102 237 12500 0.32622305 0 -0.061634993 1.0083102 1.0083102 238 12600 0.36213537 0 -0.0090593315 1.0138504 1.0027701 239 12700 0.34673866 0 0.036734645 1.0138504 1.0027701 240 12800 0.34606618 0 0.086267678 1.0138504 1.0027701 241 12900 0.34271431 0 0.12415522 1.0027701 1.0027701 242 13000 0.31993287 0 0.13879926 1.0027701 1.0083102 243 13100 0.3422918 0 0.11978905 1.0083102 1.0027701 244 13200 0.33055236 0 0.062620483 1.0083102 1.0027701 245 13300 0.34652207 0 0.0043833459 1.0138504 1.0027701 246 13400 0.33574661 0 -0.04691024 1.0027701 1.0027701 247 13500 0.33940837 0 -0.074241604 1.0027701 1.0083102 248 13600 0.32093414 0 -0.1078027 1.0138504 1.0083102 249 13700 0.34336597 0 -0.10544097 1.0027701 1.0027701 250 13800 0.35806461 0 -0.072531559 1.0027701 1.0027701 251 13900 0.35209713 0 -0.018851408 1.0083102 1.0083102 252 14000 0.35702629 0 0.061046366 1.0027701 1.0027701 253 14100 0.33234093 0 0.094086465 1.0027701 1.0027701 254 14200 0.3459466 0 0.12186656 1.0027701 1.0027701 255 14300 0.3327428 0 0.11396572 1.0027701 1.0027701 256 14400 0.32409443 0 0.10658903 1.0083102 1.0083102 257 14500 0.35022184 0 0.083558031 1.0083102 1.0083102 258 14600 0.34823843 0 0.024605569 1.0083102 1.0083102 259 14700 0.35298973 0 -0.040418888 1.0027701 1.0027701 260 14800 0.33679845 0 -0.10067728 1.0027701 1.0027701 261 14900 0.32790966 0 -0.10925568 1.0083102 1.0027701 262 15000 0.34208495 0 -0.09568004 1.0193906 1.0027701 263 15100 0.33647529 0 -0.055652929 1.0027701 1.0027701 264 15200 0.35328398 0 -0.020236536 1.0083102 1.0027701 265 15300 0.34252669 0 0.026434179 1.0083102 1.0027701 266 15400 0.34409435 0 0.094410599 1.0027701 1.0027701 267 15500 0.32288994 0 0.12034455 1.0083102 1.0027701 268 15600 0.32109689 0 0.13645185 1.0083102 1.0027701 269 15700 0.33681572 0 0.098607746 1.0083102 1.0027701 270 15800 0.33635195 0 0.05570715 1.0083102 1.0083102 271 15900 0.34289757 0 0.013849092 1.0083102 1.0027701 272 16000 0.34225547 0 -0.035597548 1.0193906 1.0027701 273 16100 0.33660991 0 -0.076931881 1.0027701 1.0027701 274 16200 0.32802152 0 -0.12765884 1.0083102 1.0027701 275 16300 0.3469374 0 -0.10785455 1.0083102 1.0083102 276 16400 0.34053641 0 -0.070259853 1.0027701 1.0027701 277 16500 0.34610591 0 -0.014315306 1.0083102 1.0027701 278 16600 0.35109001 0 0.041251169 1.0138504 1.0027701 279 16700 0.34336905 0 0.077996627 1.0193906 1.0027701 280 16800 0.33277414 0 0.11053634 1.0027701 1.0083102 281 16900 0.32183338 0 0.11680626 1.0027701 1.0027701 282 17000 0.34044352 0 0.10806555 1.0138504 1.0027701 283 17100 0.32967873 0 0.067759786 1.0138504 1.0027701 284 17200 0.36172278 0 -0.0048631904 1.0083102 1.0083102 285 17300 0.35619435 0 -0.04215545 1.0027701 1.0027701 286 17400 0.34540936 0 -0.093994174 1.0083102 1.0027701 287 17500 0.33193585 0 -0.098831315 1.0083102 1.0027701 288 17600 0.3544756 0 -0.085660403 1.0083102 1.0083102 289 17700 0.34505209 0 -0.069640515 1.0193906 1.0083102 290 17800 0.36291124 0 -0.0063088133 1.0027701 1.0027701 291 17900 0.34255705 0 0.046794555 1.0027701 1.0027701 292 18000 0.34163238 0 0.11767705 1.0138504 1.0027701 293 18100 0.3466445 0 0.1351712 1.0193906 1.0083102 294 18200 0.33037668 0 0.12703659 1.0027701 1.0027701 295 18300 0.33677404 0 0.10956306 1.0027701 1.0083102 296 18400 0.34978954 0 0.087193072 1.0027701 1.0027701 297 18500 0.33354363 0 0.051095814 1.0138504 1.0027701 298 18600 0.34651729 0 0.0056245561 1.0027701 1.0027701 299 18700 0.32622232 0 -0.047319269 1.0027701 1.0083102 300 18800 0.32978847 0 -0.054929416 1.0138504 1.0027701 301 18900 0.34192451 0 -0.037252471 1.0027701 1.0027701 302 19000 0.34061294 0 -0.001167235 1.0083102 1.0027701 303 19100 0.34194478 0 0.016945224 1.0083102 1.0027701 304 19200 0.33321765 0 0.050665354 1.0193906 1.0027701 305 19300 0.33197783 0 0.080470585 1.0138504 1.0027701 306 19400 0.33284715 0 0.12423599 1.0193906 1.0027701 307 19500 0.33867856 0 0.12689524 1.0027701 1.0027701 308 19600 0.36092786 0 0.11417704 1.0027701 1.0027701 309 19700 0.34270183 0 0.069038291 1.0249307 1.0083102 310 19800 0.34880695 0 0.042483681 1.0083102 1.0083102 311 19900 0.33903644 0 0.034788638 1.0027701 1.0027701 312 20000 0.32590125 0 0.011383785 1.0083102 1.0083102 313 20100 0.30358859 0 0.0030743554 1.0138504 1.0027701 314 20200 0.31830224 0 0.017637826 1.0027701 1.0027701 315 20300 0.34195438 0 0.072811099 1.0193906 1.0083102 316 20400 0.31249563 0 0.10063541 1.0083102 1.0027701 317 20500 0.31544938 0 0.1405794 1.0027701 1.0027701 318 20600 0.30071644 0 0.12763486 1.0027701 1.0027701 319 20700 0.2890265 0 0.1136651 1.0083102 1.0027701 320 20800 0.28962296 0 0.094481978 1.0083102 1.0027701 321 20900 0.29447212 0 0.0967165 1.0138504 1.0083102 322 21000 0.31159961 0 0.067307231 1.0027701 1.0027701 323 21100 0.30490648 0 0.017689358 1.0027701 1.0083102 324 21200 0.30687262 0 -0.016055512 1.0027701 1.0083102 325 21300 0.30083286 0 -0.0014988997 1.0083102 1.0027701 326 21400 0.32070426 0 0.015960302 1.0083102 1.0083102 327 21500 0.31439311 0 0.038170385 1.0083102 1.0083102 328 21600 0.32617832 0 0.043263788 1.0083102 1.0027701 329 21700 0.35151793 0 0.066302727 1.0083102 1.0083102 330 21800 0.35912885 0 0.070099103 1.0027701 1.0027701 331 21900 0.32451958 0 0.068935768 1.0083102 1.0027701 332 22000 0.35219298 0 0.067161227 1.0138504 1.0083102 333 22100 0.34857705 0 0.032731746 1.0138504 1.0027701 334 22200 0.34750227 0 0.0056917695 1.0027701 1.0027701 335 22300 0.34766017 0 -0.0027090483 1.0027701 1.0083102 336 22400 0.33426062 0 -0.023196063 1.0027701 1.0083102 337 22500 0.34174625 0 -0.025019717 1.0083102 1.0027701 338 22600 0.3356145 0 -0.029707418 1.0138504 1.0027701 339 22700 0.3362653 0 -0.035815733 1.0083102 1.0027701 340 22800 0.33973405 0 -0.0024705835 1.0193906 1.0027701 341 22900 0.33813085 0 0.0077527467 1.0027701 1.0027701 342 23000 0.33339981 0 0.028340744 1.0027701 1.0027701 343 23100 0.34079832 0 0.018521302 1.0249307 1.0027701 344 23200 0.33074548 0 0.032378405 1.0138504 1.0083102 345 23300 0.32965664 0 0.035989589 1.0138504 1.0027701 346 23400 0.30927749 0 0.024581106 1.0083102 1.0027701 347 23500 0.32890632 0 0.01092479 1.0138504 1.0083102 348 23600 0.34137438 0 0.0094839745 1.0083102 1.0027701 349 23700 0.34512638 0 -0.012392771 1.0138504 1.0027701 350 23800 0.31781354 0 -0.012908449 1.0027701 1.0027701 351 23900 0.32405513 0 -0.015018071 1.0027701 1.0027701 352 24000 0.33549728 0 -0.012812915 1.0083102 1.0083102 353 24100 0.31368736 0 -0.020818372 1.0027701 1.0027701 354 24200 0.33533836 0 0.0056121057 1.0027701 1.0027701 355 24300 0.32530627 0 0.018183931 1.0249307 1.0027701 356 24400 0.31930662 0 0.027446878 1.0027701 1.0083102 357 24500 0.33540302 0 0.040307455 1.0193906 1.0027701 358 24600 0.34020431 0 0.027403921 1.0027701 1.0027701 359 24700 0.3291814 0 0.01204865 1.0083102 1.0027701 360 24800 0.31552604 0 0.019654111 1.0083102 1.0083102 361 24900 0.34727253 0 0.01670543 1.0027701 1.0027701 362 25000 0.35120105 0 0.0038617562 1.0083102 1.0027701 363 25100 0.32706871 0 -0.021196623 1.0193906 1.0083102 364 25200 0.32915282 0 -0.017146508 1.0083102 1.0027701 365 25300 0.32577518 0 -0.01312495 1.0083102 1.0027701 366 25400 0.33286855 0 0.0014726193 1.0138504 1.0027701 367 25500 0.33002601 0 0.0080974022 1.0083102 1.0027701 368 25600 0.34127655 0 0.014296091 1.0138504 1.0083102 369 25700 0.34048065 0 0.022513032 1.0083102 1.0027701 370 25800 0.33029079 0 0.038733531 1.0138504 1.0027701 371 25900 0.33031324 0 0.026156982 1.0027701 1.0027701 372 26000 0.32967371 0 0.028727383 1.0027701 1.0083102 373 26100 0.33775718 0 0.015607478 1.0027701 1.0083102 374 26200 0.35097144 0 0.012291703 1.0027701 1.0027701 375 26300 0.34303792 0 0.00094823191 1.0027701 1.0083102 376 26400 0.33632665 0 -0.0026904889 1.0027701 1.0083102 377 26500 0.33580127 0 -0.0074168555 1.0138504 1.0083102 378 26600 0.33063188 0 -0.020378601 1.0027701 1.0083102 379 26700 0.33581846 0 -0.00084397268 1.0027701 1.0027701 380 26800 0.32998532 0 0.015932208 1.0083102 1.0083102 381 26900 0.33825444 0 0.010428603 1.0193906 1.0027701 382 27000 0.32081518 0 0.019818223 1.0083102 1.0083102 383 27100 0.31448098 0 0.020093416 1.0027701 1.0027701 384 27200 0.32643684 0 0.021934917 1.0083102 1.0027701 385 27300 0.33289466 0 0.023713072 1.0138504 1.0083102 386 27400 0.32310744 0 0.024110945 1.0193906 1.0027701 387 27500 0.33115619 0 0.0025776713 1.0193906 1.0027701 388 27600 0.33295887 0 -0.010710764 1.0083102 1.0083102 389 27700 0.32968876 0 -0.0064595905 1.0083102 1.0027701 390 27800 0.34064581 0 -0.0086519116 1.0027701 1.0027701 391 27900 0.33559187 0 -0.0055753593 1.0249307 1.0027701 392 28000 0.32300727 0 -0.0004153384 1.0138504 1.0027701 393 28100 0.32147461 0 -0.0058543412 1.0083102 1.0083102 394 28200 0.35532383 0 0.013646951 1.0083102 1.0083102 395 28300 0.31507942 0 0.026532255 1.0083102 1.0027701 396 28400 0.32711006 0 0.033214981 1.0083102 1.0027701 397 28500 0.34472462 0 0.028050837 1.0027701 1.0027701 398 28600 0.33708059 0 0.019115676 1.0027701 1.0027701 399 28700 0.34478087 0 0.023743689 1.0193906 1.0027701 400 28800 0.34546686 0 0.0081772997 1.0083102 1.0027701 401 28900 0.34004886 0 0.017771865 1.0138504 1.0027701 402 29000 0.33604232 0 -0.010505671 1.0027701 1.0027701 403 29100 0.33541374 0 -0.016273261 1.0027701 1.0027701 404 29200 0.34347489 0 -0.010002306 1.0083102 1.0027701 405 29300 0.34083904 0 0.0089701784 1.0083102 1.0027701 406 29400 0.34846892 0 0.020765104 1.0027701 1.0027701 407 29500 0.3416255 0 0.022650856 1.0083102 1.0027701 408 29600 0.33725496 0 0.020693083 1.0027701 1.0027701 409 29700 0.34480638 0 0.024317128 1.0138504 1.0027701 410 29800 0.31459471 0 0.023097895 1.0027701 1.0027701 411 29900 0.33014448 0 0.03114046 1.0138504 1.0027701 412 30000 0.33741498 0 0.015624314 1.0083102 1.0027701 413 30100 0.32598657 0 -0.0018860541 1.0138504 1.0027701 414 30200 0.34855815 0 0.0017983372 1.0027701 1.0027701 415 30300 0.33375921 0 0.0010991235 1.0083102 1.0083102 416 30400 0.35008944 0 -0.0027316177 1.0027701 1.0027701 417 30500 0.33279729 0 -0.0035788551 1.0027701 1.0027701 418 30600 0.33868746 0 -0.0016249482 1.0027701 1.0027701 419 30700 0.33597034 0 -0.0014524001 1.0193906 1.0083102 420 30800 0.3227257 0 0.016353457 1.0193906 1.0027701 421 30900 0.32676516 0 0.027396654 1.0027701 1.0027701 422 31000 0.34083982 0 0.031606413 1.0138504 1.0083102 423 31100 0.32165238 0 0.013583368 1.0027701 1.0027701 424 31200 0.3428492 0 0.020486611 1.0138504 1.0027701 425 31300 0.32372541 0 0.01215566 1.0027701 1.0027701 426 31400 0.32734692 0 0.016229397 1.0083102 1.0027701 427 31500 0.33089262 0 0.0060426618 1.0027701 1.0027701 428 31600 0.34273493 0 -0.013456537 1.0083102 1.0083102 429 31700 0.32723905 0 -0.019243766 1.0027701 1.0027701 430 31800 0.33636488 0 0.0027814902 1.0027701 1.0083102 431 31900 0.32834805 0 0.00706877 1.0083102 1.0027701 432 32000 0.33995148 0 0.0018383309 1.0083102 1.0083102 433 32100 0.33412282 0 0.0076455933 1.0027701 1.0083102 434 32200 0.34334884 0 0.023586129 1.0083102 1.0027701 435 32300 0.32778925 0 0.020564321 1.0193906 1.0083102 436 32400 0.33163443 0 0.038878463 1.0083102 1.0027701 437 32500 0.32290345 0 0.022247461 1.0027701 1.0027701 438 32600 0.34113954 0 0.010966365 1.0138504 1.0027701 439 32700 0.33390633 0 0.0037777555 1.0083102 1.0083102 440 32800 0.34385341 0 0.010556575 1.0138504 1.0083102 441 32900 0.32137047 0 0.00022027143 1.0138504 1.0027701 442 33000 0.32079172 0 -0.017261272 1.0083102 1.0027701 443 33100 0.33570882 0 -0.0051942206 1.0027701 1.0027701 444 33200 0.34320894 0 -0.011515281 1.0138504 1.0027701 445 33300 0.32794746 0 -0.0018153673 1.0027701 1.0027701 446 33400 0.33060982 0 0.027118146 1.0027701 1.0027701 447 33500 0.33641809 0 0.02143035 1.0083102 1.0027701 448 33600 0.33643061 0 0.020833068 1.0083102 1.0027701 449 33700 0.3485949 0 0.030918751 1.0083102 1.0027701 450 33800 0.3283985 0 0.01947613 1.0193906 1.0027701 451 33900 0.31959761 0 0.021128147 1.0027701 1.0027701 452 34000 0.33897984 0 0.015270986 1.0027701 1.0083102 453 34100 0.32392267 0 0.0020130852 1.0083102 1.0027701 454 34200 0.33084514 0 -0.024316708 1.0027701 1.0027701 455 34300 0.3342259 0 -0.0059047764 1.0138504 1.0027701 456 34400 0.33385098 0 0.0063818721 1.0027701 1.0027701 457 34500 0.33255603 0 -0.01023837 1.0027701 1.0083102 458 34600 0.34766173 0 0.0056703013 1.0083102 1.0027701 459 34700 0.339822 0 0.0061648559 1.0083102 1.0027701 460 34800 0.33902329 0 0.030037037 1.0027701 1.0083102 461 34900 0.3216153 0 0.027996689 1.0027701 1.0027701 462 35000 0.32701056 0 0.024778517 1.0083102 1.0027701 463 35100 0.3124942 0 0.011316548 1.0027701 1.0027701 464 35200 0.34486416 0 0.011670127 1.0027701 1.0027701 465 35300 0.33275353 0 0.020491246 1.0027701 1.0027701 466 35400 0.33618763 0 0.014678874 1.0083102 1.0027701 467 35500 0.32352282 0 -0.018568683 1.0027701 1.0027701 468 35600 0.32617903 0 -0.012796912 1.0083102 1.0027701 469 35700 0.32378048 0 -0.021318585 1.0027701 1.0083102 470 35800 0.3371086 0 -0.0023678632 1.0027701 1.0083102 471 35900 0.33818476 0 0.011197742 1.0083102 1.0027701 472 36000 0.35142144 0 0.022520935 1.0083102 1.0027701 473 36100 0.35147297 0 0.020277852 1.0083102 1.0027701 474 36200 0.33489465 0 0.014564878 1.0193906 1.0027701 475 36300 0.33841515 0 0.036439962 1.0027701 1.0027701 476 36400 0.32301096 0 0.019966746 1.0027701 1.0027701 477 36500 0.35612028 0 0.036509556 1.0027701 1.0027701 478 36600 0.33841597 0 -0.0042180605 1.0083102 1.0083102 479 36700 0.34477654 0 -0.0052770853 1.0193906 1.0083102 480 36800 0.33804317 0 -0.013751733 1.0027701 1.0027701 481 36900 0.35003816 0 -0.0021184393 1.0027701 1.0027701 482 37000 0.32965041 0 -0.020900951 1.0083102 1.0027701 483 37100 0.34653095 0 -0.013667977 1.0027701 1.0027701 484 37200 0.35019871 0 -0.0071740923 1.0027701 1.0027701 485 37300 0.34859745 0 0.02006041 1.0138504 1.0027701 486 37400 0.35739859 0 0.020892822 1.0083102 1.0027701 487 37500 0.34128859 0 0.041072111 1.0083102 1.0083102 488 37600 0.33781905 0 0.023376738 1.0083102 1.0083102 489 37700 0.32961874 0 0.030953741 1.0138504 1.0027701 490 37800 0.343987 0 0.029579795 1.0083102 1.0027701 491 37900 0.33610448 0 0.036836828 1.0138504 1.0027701 492 38000 0.32757228 0 0.020902031 1.0027701 1.0027701 493 38100 0.32735808 0 0.019544751 1.0138504 1.0083102 494 38200 0.35646953 0 0.044607528 1.0027701 1.0083102 495 38300 0.32509773 0 0.03610738 1.0138504 1.0027701 496 38400 0.32111741 0 0.034474043 1.0083102 1.0083102 497 38500 0.30590608 0 0.053461212 1.0083102 1.0027701 498 38600 0.32322402 0 0.053453832 1.0138504 1.0083102 499 38700 0.33843057 0 0.076264534 1.0027701 1.0027701 500 38800 0.31350741 0 0.064733869 1.0083102 1.0027701 501 38900 0.31943061 0 0.067836769 1.0083102 1.0027701 502 39000 0.33775583 0 0.0788316 1.0083102 1.0083102 503 39100 0.34256036 0 0.075874935 1.0027701 1.0027701 504 39200 0.33128527 0 0.071610976 1.0193906 1.0027701 505 39300 0.34519653 0 0.046257301 1.0083102 1.0083102 506 39400 0.34351844 0 0.052422917 1.0027701 1.0027701 507 39500 0.35716037 0 0.048916058 1.0083102 1.0027701 508 39600 0.34000737 0 0.016149089 1.0083102 1.0027701 509 39700 0.34587892 0 0.021619621 1.0083102 1.0083102 510 39800 0.34878036 0 0.0092881327 1.0083102 1.0027701 511 39900 0.35225411 0 -0.011341599 1.0083102 1.0027701 512 40000 0.36309266 0 0.0050869295 1.0304709 1.0027701 513Loop time of 1.30389 on 2 procs for 40000 steps with 361 atoms 514 515Performance: 13252650.572 tau/day, 30677.432 timesteps/s 51697.6% CPU use with 2 MPI tasks x 1 OpenMP threads 517 518MPI task timing breakdown: 519Section | min time | avg time | max time |%varavg| %total 520--------------------------------------------------------------- 521Pair | 0.041365 | 0.041785 | 0.042204 | 0.2 | 3.20 522Bond | 0.35501 | 0.37082 | 0.38664 | 2.6 | 28.44 523Neigh | 0.30901 | 0.31013 | 0.31125 | 0.2 | 23.78 524Comm | 0.12939 | 0.15871 | 0.18803 | 7.4 | 12.17 525Output | 0.00489 | 0.005671 | 0.0064521 | 1.0 | 0.43 526Modify | 0.28208 | 0.28362 | 0.28516 | 0.3 | 21.75 527Other | | 0.1332 | | | 10.21 528 529Nlocal: 180.5 ave 181 max 180 min 530Histogram: 1 0 0 0 0 0 0 0 0 1 531Nghost: 52.5 ave 53 max 52 min 532Histogram: 1 0 0 0 0 0 0 0 0 1 533Neighs: 0 ave 0 max 0 min 534Histogram: 2 0 0 0 0 0 0 0 0 0 535 536Total # of neighbors = 0 537Ave neighs/atom = 0 538Ave special neighs/atom = 31.0249 539Neighbor list builds = 3079 540Dangerous builds = 0 541Total wall time: 0:00:01 542