using 8 OpenMP thread(s) per MPI task using multi-threaded neighbor list subroutines Created orthogonal box = (-20 -20 -20) to (20 20 20) 1 by 1 by 1 MPI processor grid Created 1500 atoms using lattice units in orthogonal box = (-20 -20 -20) to (20 20 20) create_atoms CPU = 0.063 seconds Created 100 atoms using lattice units in orthogonal box = (-20 -20 -20) to (20 20 20) create_atoms CPU = 0.008 seconds Generated 1 of 1 mixed pair_coeff terms from geometric mixing rule Last active /omp style is pair_style lj/cut/omp Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 4.3 ghost atom cutoff = 4.3 binsize = 2.15, bins = 19 19 19 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/cut/omp, perpetual attributes: half, newton on, omp pair build: half/bin/newton/atomonly/omp stencil: half/bin/3d bin: standard Setting up cg style minimization ... Unit style : lj Current step : 0 Per MPI rank memory allocation (min/avg/max) = 10.46 | 10.46 | 10.46 Mbytes Step TotEng Press 0 951929.29 95195.517 10 3.5701279 0.41939855 20 -0.29919041 -0.0039060286 30 -0.3941731 -0.0037206356 40 -0.46170501 -0.0035160833 50 -0.51118404 -0.0030873905 60 -0.55364542 -0.0023932664 70 -0.60105929 -0.0028490977 80 -0.63908384 -0.0024805522 90 -0.6799505 -0.0024682149 100 -0.71603181 -0.0024785996 110 -0.74686329 -0.0020756755 120 -0.78427169 -0.0022599662 130 -0.81793385 -0.002140217 140 -0.85272018 -0.0019398789 150 -0.88467521 -0.0018319205 160 -0.91905132 -0.0019237292 170 -0.94055619 -0.0018632792 180 -0.96826819 -0.0016576743 190 -0.99526005 -0.0018054032 200 -1.0234934 -0.0018925317 210 -1.0545987 -0.0019926243 220 -1.0886464 -0.0015757158 230 -1.1128238 -0.0014232368 240 -1.1390239 -0.0015388285 250 -1.1667953 -0.0015150701 260 -1.1918748 -0.0013358847 270 -1.2188189 -0.0013563908 280 -1.2417141 -0.0012285668 290 -1.2589136 -0.0011508727 300 -1.2780543 -0.00098875908 310 -1.2953419 -0.0010293889 320 -1.3074615 -0.0011512491 330 -1.3198075 -0.0011221165 340 -1.3407885 -0.0011195165 350 -1.3591981 -0.0013183162 360 -1.3753063 -0.0012443393 370 -1.3892808 -0.0011824129 380 -1.4015963 -0.0011360107 390 -1.4207087 -0.0010799521 400 -1.4392669 -0.00097041858 410 -1.4519187 -0.00098891028 420 -1.4692849 -0.0009091854 430 -1.483356 -0.00099861444 440 -1.4978405 -0.00094923215 450 -1.5090495 -0.00093583327 460 -1.5199594 -0.0011532063 470 -1.5319549 -0.0009323062 480 -1.539647 -0.00087827787 490 -1.5505276 -0.00098753172 500 -1.5637281 -0.00081651786 510 -1.5743429 -0.00077734393 520 -1.5843867 -0.0008433003 530 -1.5930555 -0.00073474827 540 -1.5994154 -0.00076838894 550 -1.6078956 -0.00075653935 560 -1.6157881 -0.00072409156 570 -1.6229583 -0.00070159103 580 -1.6346589 -0.00071740107 590 -1.6435654 -0.00060926977 600 -1.6511627 -0.00082982163 610 -1.6672974 -0.00065229067 620 -1.6816178 -0.00095914167 630 -1.6938537 -0.00063605207 640 -1.7010919 -0.00063045883 650 -1.7136868 -0.00071488769 660 -1.7244686 -0.00083793666 670 -1.7337873 -0.00073496128 680 -1.7411931 -0.00069282763 690 -1.7518017 -0.00053292037 700 -1.7599796 -0.0006212694 710 -1.7675567 -0.00058510082 720 -1.7764823 -0.0006551987 730 -1.7848406 -0.00065179098 740 -1.7906949 -0.00052935664 750 -1.798279 -0.00069160564 760 -1.8045359 -0.00068423162 770 -1.8130479 -0.000739484 780 -1.8202713 -0.00056716709 790 -1.8276893 -0.00061046951 800 -1.8357717 -0.00047989194 810 -1.8411155 -0.00038509835 820 -1.8460021 -0.00046740056 830 -1.8521312 -0.00054630703 840 -1.8591086 -0.00045443326 850 -1.8648018 -0.00045812734 860 -1.8728365 -0.00048853214 870 -1.8786419 -0.00032993014 880 -1.8835882 -0.0003844953 890 -1.8885087 -0.00044404427 900 -1.8926575 -0.0004283357 910 -1.8978649 -0.0005236393 920 -1.9065038 -0.00058265659 930 -1.9127842 -0.00049669695 940 -1.9185581 -0.00046232238 950 -1.9241363 -0.00047938157 960 -1.9276825 -0.00046106507 970 -1.9321945 -0.00056335678 980 -1.9387625 -0.00057799092 990 -1.9477303 -0.00061156129 1000 -1.9580995 -0.00072088573 Loop time of 0.816267 on 8 procs for 1000 steps with 1600 atoms 871.7% CPU use with 1 MPI tasks x 8 OpenMP threads Minimization stats: Stopping criterion = max iterations Energy initial, next-to-last, final = 951929.289785733 -1.95694319773878 -1.95809950513794 Force two-norm initial, final = 7.9345356e+10 20.90993 Force max component initial, final = 5.4329265e+10 6.8505031 Final line search alpha, max atom move = 0.010633864 0.072847316 Iterations, force evaluations = 1000 1965 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.28432 | 0.28432 | 0.28432 | 0.0 | 34.83 Neigh | 0.17328 | 0.17328 | 0.17328 | 0.0 | 21.23 Comm | 0.097865 | 0.097865 | 0.097865 | 0.0 | 11.99 Output | 0.0033875 | 0.0033875 | 0.0033875 | 0.0 | 0.42 Modify | 0.088303 | 0.088303 | 0.088303 | 0.0 | 10.82 Other | | 0.1691 | | | 20.72 Nlocal: 1600 ave 1600 max 1600 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1243 ave 1243 max 1243 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 7874 ave 7874 max 7874 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 7874 Ave neighs/atom = 4.92125 Neighbor list builds = 364 Dangerous builds = 0 WARNING: Detected non-ASCII characters in input. Will try to continue by replacing with ASCII equivalents where known. (src/input.cpp:478) Generated 1 of 1 mixed pair_coeff terms from geometric mixing rule Last active /omp style is pair_style lj/cut/omp Setting up Verlet run ... Unit style : lj Current step : 1000 Time step : 0.005 Per MPI rank memory allocation (min/avg/max) = 9.332 | 9.332 | 9.332 Mbytes Step Temp TotEng PotEng KinEng Press 1000 0 -1.9580995 -1.9580995 0 -0.00072088573 1050 0.95091549 -0.060703405 -1.4861852 1.4254817 0.034919615 1100 0.99995722 0.25111089 -1.2478875 1.4989984 0.03323603 1150 1.0160413 0.37593189 -1.1471775 1.5231094 0.025361614 1200 0.99201042 0.43576752 -1.0513181 1.4870856 0.025097506 1250 0.98209048 0.46696274 -1.0052523 1.472215 0.022306991 1300 0.98134962 0.51813395 -0.95297046 1.4711044 0.025330295 1350 0.99718361 0.58782858 -0.90701197 1.4948406 0.025529244 1400 1.0199741 0.63796102 -0.89104397 1.529005 0.022014902 1450 0.9943435 0.64851312 -0.84206993 1.490583 0.023445834 1500 0.9875107 0.65033087 -0.83000938 1.4803403 0.020485009 1550 1.0094035 0.71806583 -0.79509316 1.513159 0.022100642 1600 0.98023016 0.71593499 -0.75349128 1.4694263 0.023316936 1650 0.9911673 0.73920448 -0.74661725 1.4858217 0.020206862 1700 0.99892844 0.782704 -0.71475217 1.4974562 0.021527154 1750 1.0034649 0.81433611 -0.68992051 1.5042566 0.0247977 1800 1.0223078 0.83331283 -0.69919049 1.5325033 0.022165696 1850 0.96748321 0.78178015 -0.66853765 1.4503178 0.02142428 1900 0.98414976 0.8194645 -0.65583749 1.475302 0.019627799 1950 0.99485456 0.85819534 -0.63315382 1.4913492 0.02176185 2000 1.0126733 0.89185563 -0.62620489 1.5180605 0.0220471 2050 0.99841029 0.8718243 -0.62485513 1.4966794 0.020652859 2100 1.001873 0.89286285 -0.60900739 1.5018702 0.021800168 2150 0.97833662 0.86612515 -0.60046259 1.4665877 0.020370066 2200 0.99122115 0.89918635 -0.58671611 1.4859025 0.021285692 2250 1.0020902 0.93195284 -0.57024294 1.5021958 0.022871832 2300 1.0164122 0.95396447 -0.56970091 1.5236654 0.021607477 2350 0.98514318 0.92055122 -0.55623998 1.4767912 0.022008059 2400 1.0039295 0.95346441 -0.55148865 1.5049531 0.021518419 2450 1.0021143 0.9588499 -0.54338205 1.5022319 0.02178833 2500 0.99357016 0.95223999 -0.53718378 1.4894238 0.02106494 2550 0.9877703 0.95061243 -0.53011699 1.4807294 0.019736454 2600 1.0088268 1.0011661 -0.51112833 1.5122944 0.023018902 2650 1.0046359 0.98724407 -0.51876788 1.5060119 0.020144584 2700 1.0031053 0.97956759 -0.52414996 1.5037175 0.019879943 2750 0.98911538 0.9745487 -0.50819707 1.4827458 0.021862176 2800 1.0170427 1.0239767 -0.50063391 1.5246106 0.023866738 2850 0.99432174 0.9897332 -0.50081724 1.4905504 0.020868441 2900 0.99869165 0.99413601 -0.50296519 1.4971012 0.019305626 2950 0.99931481 1.0081619 -0.48987345 1.4980354 0.020776138 3000 1.0325952 1.0852939 -0.46263078 1.5479247 0.022924603 3050 0.96340867 0.98342172 -0.46078809 1.4442098 0.02098024 3100 0.97570968 1.0026307 -0.46001907 1.4626498 0.019324757 3150 0.98260685 1.0244979 -0.44849123 1.4729891 0.021118319 3200 0.9780859 1.0141019 -0.45210995 1.4662119 0.020283201 3250 1.0071599 1.0656973 -0.4440984 1.5097957 0.022702024 3300 0.97992236 1.028323 -0.44064187 1.4689649 0.021056893 3350 1.0100004 1.07792 -0.43613378 1.5140538 0.020404529 3400 1.0018734 1.0626291 -0.43924166 1.5018708 0.020481277 3450 1.0263277 1.1067025 -0.43182699 1.5385294 0.021930089 3500 1.0001267 1.0656131 -0.43363929 1.4992524 0.02179042 3550 0.96471953 1.0208437 -0.4253312 1.4461749 0.02156325 3600 1.0024495 1.0701203 -0.4326142 1.5027345 0.020915007 3650 1.011888 1.0872351 -0.42964833 1.5168834 0.020902213 3700 1.0120458 1.1022888 -0.41483105 1.5171199 0.022800189 3750 0.98258945 1.0638701 -0.40909285 1.472963 0.020704717 3800 0.99730576 1.0917906 -0.40323302 1.4950237 0.022365965 3850 1.0174487 1.1250907 -0.40012853 1.5252192 0.021111361 3900 1.0166534 1.1251104 -0.39891659 1.524027 0.020442396 3950 0.98867117 1.0894508 -0.39262905 1.4820799 0.02040323 4000 0.98440406 1.0794605 -0.39622272 1.4756832 0.019379763 4050 0.95341018 1.0380987 -0.39112274 1.4292214 0.020357666 4100 1.0055131 1.1288345 -0.37849246 1.507327 0.021925385 4150 0.96278447 1.0553619 -0.38791218 1.4432741 0.020508797 4200 1.0346922 1.164157 -0.38691129 1.5510683 0.023226043 4250 1.001439 1.1161222 -0.38509747 1.5012197 0.021882262 4300 0.99532737 1.11521 -0.37684794 1.4920579 0.022088393 4350 0.99254553 1.1170069 -0.37088089 1.4878878 0.021794106 4400 0.98441126 1.0901978 -0.38549619 1.475694 0.020964679 4450 0.99077727 1.1060081 -0.37922892 1.485237 0.020689335 4500 1.021542 1.1486848 -0.38267059 1.5313553 0.021607813 4550 1.0045875 1.1256068 -0.38033255 1.5059394 0.02144387 4600 0.981677 1.084286 -0.38730919 1.4715952 0.01983546 4650 0.96262921 1.0604483 -0.38259307 1.4430414 0.020329451 4700 0.96778704 1.0768402 -0.37393309 1.4507733 0.019539541 4750 1.0209303 1.1511946 -0.37924373 1.5304384 0.019842804 4800 1.0247428 1.1736181 -0.36253529 1.5361534 0.022716012 4850 1.0151498 1.1643738 -0.35739919 1.521773 0.023629892 4900 0.96060529 1.0639464 -0.37606101 1.4400074 0.019480111 4950 1.00869 1.1422167 -0.36987261 1.5120893 0.019885592 5000 1.0185918 1.1597492 -0.36718364 1.5269328 0.021400145 5050 1.0155666 1.1576453 -0.36475244 1.5223978 0.021374848 5100 0.96340097 1.0859586 -0.3582397 1.4441983 0.019892111 5150 0.97877901 1.1010958 -0.36615515 1.4672509 0.020414912 5200 1.0424687 1.1939891 -0.36873661 1.5627257 0.021606217 5250 0.97538556 1.101987 -0.36017688 1.4621639 0.02036047 5300 0.97427684 1.1095947 -0.35090717 1.4605019 0.020686858 5350 0.96788246 1.0969806 -0.35393565 1.4509163 0.019933176 5400 0.98567219 1.1269767 -0.35060753 1.4775842 0.020210226 5450 1.0012364 1.1671752 -0.33374068 1.5009159 0.022850212 5500 0.98560147 1.1226925 -0.35478568 1.4774782 0.019385581 5550 1.0075169 1.1646621 -0.34566866 1.5103308 0.021763305 5600 0.98051651 1.1076944 -0.36216109 1.4698555 0.020218462 5650 1.0186226 1.1695939 -0.3573851 1.526979 0.021155586 5700 1.012704 1.1560065 -0.36210006 1.5181066 0.02001033 5750 1.0276751 1.1874218 -0.35312738 1.5405492 0.021933502 5800 0.97689332 1.1101818 -0.35424235 1.4644241 0.021076073 5850 0.98743683 1.1251257 -0.3551038 1.4802295 0.020333564 5900 1.0099599 1.162248 -0.35174493 1.5139929 0.021298866 5950 0.96624523 1.0883968 -0.36006523 1.448462 0.020633588 6000 0.97964318 1.1118319 -0.35671446 1.4685464 0.020953115 6050 0.98881759 1.1259645 -0.35633488 1.4822994 0.022204866 6100 0.9994253 1.1413574 -0.35684357 1.498201 0.022114173 6150 0.99701085 1.140869 -0.35371254 1.4945816 0.021791401 6200 0.99706079 1.1365128 -0.35814359 1.4946564 0.021590315 6250 1.0121633 1.1741621 -0.34313404 1.5172961 0.02375283 6300 1.023243 1.1959437 -0.33796149 1.5339052 0.022246381 6350 0.99801482 1.1668479 -0.32923868 1.4960866 0.023054954 6400 0.9936111 1.150947 -0.33853818 1.4894851 0.021949348 6450 1.0318986 1.2143357 -0.33254484 1.5468805 0.022891368 6500 1.0414314 1.2257234 -0.33544742 1.5611708 0.021471712 6550 0.99672824 1.1631833 -0.3309746 1.4941579 0.022644824 6600 1.0031641 1.1696295 -0.33417617 1.5038056 0.022206355 6650 0.99927246 1.1735335 -0.32443839 1.4979719 0.022004383 6700 0.99122568 1.1537233 -0.33218591 1.4859093 0.020876077 6750 0.98758478 1.1512221 -0.32922925 1.4804513 0.021905895 6800 0.96546651 1.1085581 -0.33873658 1.4472946 0.019335354 6850 1.014052 1.1947267 -0.32540062 1.5201273 0.021776914 6900 0.99379599 1.1585598 -0.33120249 1.4897623 0.020077641 6950 1.003407 1.1650443 -0.33912551 1.5041698 0.01985493 7000 1.0269761 1.210057 -0.32944434 1.5395013 0.021995652 7050 1.0226436 1.2006901 -0.33231656 1.5330066 0.021948196 7100 0.98436887 1.1521875 -0.32344296 1.4756305 0.021832475 7150 1.0139493 1.1855746 -0.33439877 1.5199733 0.021800361 7200 1.0241469 1.2070636 -0.32819654 1.5352602 0.02221079 7250 1.0085318 1.1837753 -0.3280769 1.5118522 0.020898129 7300 1.0025033 1.178623 -0.32419218 1.5028151 0.021982045 7350 1.0058322 1.1896778 -0.31812747 1.5078053 0.022780949 7400 1.0166729 1.2058938 -0.31816235 1.5240562 0.022071546 7450 1.0068129 1.1932723 -0.31600317 1.5092754 0.02228126 7500 0.98243651 1.1594816 -0.31325214 1.4727337 0.021246659 7550 1.0027718 1.1907853 -0.31243225 1.5032176 0.020788364 7600 0.98635055 1.1607889 -0.31781225 1.4786011 0.021394176 7650 0.98854653 1.1578659 -0.32402712 1.481893 0.020065639 7700 1.0013211 1.1835311 -0.31751185 1.5010429 0.021223579 7750 0.98519209 1.1628879 -0.31397658 1.4768645 0.020665912 7800 0.99236366 1.180126 -0.3074891 1.4876151 0.022378474 7850 0.98106519 1.155981 -0.31469707 1.470678 0.02099036 7900 0.98143379 1.1588702 -0.31236045 1.4712306 0.021792077 7950 1.0010558 1.194307 -0.3063382 1.5006452 0.022877443 8000 0.96689687 1.1436078 -0.30583108 1.4494388 0.021830511 8050 1.0348027 1.2400164 -0.3112175 1.5512339 0.022314763 8100 1.0110142 1.2079152 -0.30765826 1.5155734 0.021071164 8150 0.9998806 1.1888864 -0.30999717 1.4988835 0.022193903 8200 1.0224951 1.2139612 -0.31882285 1.5327841 0.02093275 8250 0.97261962 1.1454115 -0.31260605 1.4580176 0.021444611 8300 1.0067042 1.2011859 -0.30792653 1.5091125 0.02242729 8350 0.98389717 1.1639393 -0.31098402 1.4749234 0.020342431 8400 0.99145898 1.1699243 -0.31633466 1.486259 0.021251524 8450 0.99818083 1.1843057 -0.31202975 1.4963355 0.022285553 8500 0.9973226 1.1856992 -0.3093497 1.4950489 0.020752785 8550 0.9815404 1.1602627 -0.31112766 1.4713904 0.02083775 8600 0.99363422 1.1811026 -0.30841724 1.4895198 0.022194525 8650 1.0138532 1.2053201 -0.31450921 1.5198293 0.022600359 8700 0.98619488 1.1696921 -0.30867568 1.4783678 0.021603208 8750 1.0100677 1.1957602 -0.31839449 1.5141547 0.020144146 8800 1.0146617 1.2111842 -0.30985708 1.5210413 0.023262246 8850 0.950184 1.1122622 -0.31212305 1.4243852 0.020346125 8900 0.97365957 1.1421961 -0.31738046 1.4595765 0.021006382 8950 0.98168244 1.1520741 -0.31952925 1.4716033 0.019509348 9000 1.0172352 1.2083494 -0.31654977 1.5248992 0.021272156 9050 1.0043716 1.1862691 -0.31934667 1.5056157 0.020826186 9100 0.99409986 1.1838045 -0.30641334 1.4902178 0.020758078 9150 0.98911147 1.1809234 -0.3018165 1.4827399 0.020863089 9200 1.0094108 1.2031764 -0.30999356 1.5131699 0.021317925 9250 0.99642425 1.1726934 -0.32100884 1.4937022 0.020361205 9300 0.99309515 1.1737308 -0.31498091 1.4887117 0.020905161 9350 0.99999111 1.1858192 -0.31322992 1.4990492 0.022703006 9400 0.9887873 1.1784488 -0.30380517 1.482254 0.021800866 9450 1.037558 1.2517753 -0.30358906 1.5553643 0.022825293 9500 0.99060607 1.1731095 -0.31187087 1.4849804 0.02154853 9550 0.9958752 1.1681812 -0.32469796 1.4928792 0.022637603 9600 1.0045576 1.1910431 -0.31485155 1.5058947 0.02340808 9650 1.0298965 1.2159842 -0.32789495 1.5438792 0.022396881 9700 0.99811698 1.1741891 -0.32205059 1.4962397 0.020857425 9750 1.0351793 1.2501314 -0.30166707 1.5517985 0.024270756 9800 1.0102345 1.2000331 -0.31437153 1.5144046 0.021695937 9850 1.0136315 1.2109727 -0.30852422 1.5194969 0.021858287 9900 0.97692386 1.15231 -0.3121599 1.4644699 0.021487871 9950 1.0239528 1.21535 -0.31961922 1.5349692 0.02105574 10000 1.0074934 1.1971764 -0.31311914 1.5102956 0.021506108 10050 0.9950169 1.1795654 -0.31202711 1.4915925 0.022231142 10100 1.0352312 1.2395322 -0.31234403 1.5518762 0.021226061 10150 0.97848912 1.1558279 -0.31098846 1.4668163 0.020595239 10200 0.96031666 1.1357016 -0.3038731 1.4395747 0.02188564 10250 1.0360928 1.2509051 -0.30226273 1.5531678 0.022495813 10300 1.0333281 1.2492756 -0.29974787 1.5490235 0.021482308 10350 0.99925213 1.2041704 -0.29377096 1.4979414 0.020988121 10400 1.0304327 1.2517095 -0.29297346 1.5446829 0.022497174 10450 1.0110318 1.2198396 -0.29576027 1.5155999 0.022276976 10500 1.0239456 1.2421111 -0.29284735 1.5349584 0.021886555 10550 0.97611073 1.1673584 -0.2958926 1.463251 0.02088428 10600 1.050166 1.2732241 -0.30104042 1.5742645 0.022529938 10650 0.99640242 1.1864346 -0.30723487 1.4936695 0.020514075 10700 0.99441952 1.1795724 -0.31112457 1.490697 0.021906621 10750 0.99249505 1.1850201 -0.30279199 1.4878121 0.02310024 10800 0.97882847 1.1679033 -0.29942178 1.467325 0.020909104 10850 1.0084772 1.2099319 -0.30183851 1.5117704 0.022935276 10900 0.98852771 1.1760877 -0.30577711 1.4818648 0.021608424 10950 1.0145067 1.2109875 -0.30982146 1.520809 0.020738508 11000 0.9691055 1.1539823 -0.2987674 1.4527497 0.021332729 11050 1.0075364 1.2225961 -0.2877639 1.51036 0.022599501 11100 1.0374465 1.2643955 -0.29080162 1.5551971 0.023037434 11150 1.0199284 1.2354272 -0.29350919 1.5289364 0.023420925 11200 0.99908245 1.1968622 -0.30082486 1.497687 0.022045501 11250 1.0150973 1.2245778 -0.29711652 1.5216944 0.022118062 11300 0.99609033 1.197463 -0.29573862 1.4932017 0.022788243 11350 1.0093898 1.2132078 -0.29993048 1.5131383 0.022494231 11400 1.0106994 1.2158139 -0.29928774 1.5151016 0.023379076 11450 1.0276122 1.2458588 -0.29459615 1.5404549 0.023242388 11500 1.0190035 1.230704 -0.29684591 1.52755 0.02240099 11550 1.0215245 1.2270777 -0.3042514 1.5313291 0.021824631 11600 0.98069521 1.1674244 -0.30269906 1.4701234 0.021314795 11650 0.97314844 1.158138 -0.30067234 1.4588103 0.020278659 11700 0.98121831 1.1728179 -0.29808967 1.4709076 0.020946629 11750 1.0180707 1.2270178 -0.29913377 1.5261515 0.022051789 11800 0.98516976 1.1731394 -0.30369168 1.476831 0.021655518 11850 0.9888972 1.1830246 -0.29939415 1.4824187 0.022013251 11900 1.0142948 1.219928 -0.30056334 1.5204913 0.022945065 11950 0.97170404 1.1613042 -0.29534092 1.4566451 0.020829843 12000 1.0507568 1.2734879 -0.30166212 1.5751501 0.021777898 12050 1.001069 1.2029816 -0.29768349 1.5006651 0.021140587 12100 1.0045254 1.2199693 -0.28587709 1.5058464 0.021369554 12150 1.0494486 1.2770065 -0.29618252 1.5731891 0.021833895 12200 0.96379137 1.1554313 -0.28935219 1.4447835 0.021815345 12250 1.0036941 1.2135619 -0.29103834 1.5046002 0.022482188 12300 0.99200023 1.1998843 -0.28718609 1.4870703 0.023925107 12350 1.0020211 1.2112499 -0.29084243 1.5020923 0.022566741 12400 0.99354005 1.1918655 -0.29751317 1.4893786 0.02171501 12450 0.99430385 1.1902264 -0.30029717 1.4905236 0.020397987 12500 0.99007457 1.1976024 -0.2865813 1.4841837 0.021363089 12550 0.98280652 1.1836634 -0.28962504 1.4732884 0.020782252 12600 0.99232502 1.1936911 -0.2938661 1.4875572 0.020722053 12650 0.98201253 1.1882593 -0.28383881 1.4720982 0.021667322 12700 0.9961072 1.1941731 -0.29905382 1.493227 0.021539732 12750 0.9980551 1.1963048 -0.29984212 1.496147 0.0214873 12800 1.0081069 1.2215209 -0.28969437 1.5112152 0.024134082 12850 1.0083605 1.2250273 -0.28656804 1.5115954 0.021896903 12900 1.0106411 1.2208064 -0.29420774 1.5150141 0.021630577 12950 1.0009113 1.2098721 -0.29055652 1.5004286 0.022828216 13000 1.0039249 1.2201205 -0.28482568 1.5049461 0.022728763 13050 1.0072985 1.2210466 -0.28895687 1.5100034 0.021794776 13100 0.99337143 1.2009434 -0.28818242 1.4891259 0.021984458 13150 1.0222469 1.2444097 -0.28800231 1.532412 0.021281562 13200 0.99032228 1.1985564 -0.28599856 1.484555 0.022175457 13250 0.9874941 1.1891753 -0.29114005 1.4803154 0.021010141 13300 0.98313711 1.1855395 -0.28824451 1.473784 0.021031779 13350 1.0142654 1.2363528 -0.28409441 1.5204472 0.022034242 13400 1.0025077 1.2041555 -0.2986661 1.5028216 0.020950538 13450 0.98495702 1.1793733 -0.29713879 1.4765121 0.020597635 13500 1.0160836 1.2337542 -0.28941867 1.5231729 0.021937728 13550 0.98634066 1.1848545 -0.29373182 1.4785863 0.020797699 13600 1.0309633 1.2521362 -0.29334234 1.5454785 0.020819043 13650 1.0229171 1.2332671 -0.30014947 1.5334166 0.020827082 13700 1.0402258 1.2566412 -0.30272233 1.5593635 0.023026024 13750 0.99717674 1.1856999 -0.30913036 1.4948303 0.02037347 13800 0.99405164 1.1877549 -0.30239065 1.4901455 0.021360042 13850 1.0013967 1.1894574 -0.31169886 1.5011562 0.020898179 13900 1.0386574 1.2514787 -0.30553375 1.5570124 0.022002807 13950 0.99763734 1.1924473 -0.30307347 1.4955207 0.021880717 14000 0.98681968 1.1799008 -0.29940355 1.4793044 0.021969745 14050 1.0056638 1.2125036 -0.29504923 1.5075529 0.022332444 14100 0.95913781 1.1417208 -0.2960867 1.4378075 0.01972509 14150 0.98858294 1.1850494 -0.29689824 1.4819476 0.021504065 14200 0.99366695 1.1990849 -0.29048392 1.4895689 0.022757537 14250 0.993119 1.1874016 -0.30134582 1.4887475 0.020162065 14300 0.99740922 1.1975875 -0.29759124 1.4951788 0.022552994 14350 1.0163439 1.2292331 -0.29432999 1.5235631 0.022069987 14400 0.96950008 1.1579533 -0.29538792 1.4533412 0.019769365 14450 1.0002622 1.2055284 -0.29392709 1.4994555 0.02173724 14500 0.99448528 1.1914948 -0.29930084 1.4907956 0.020762124 14550 1.0093479 1.2134179 -0.29965765 1.5130756 0.020778633 14600 1.028509 1.2403149 -0.30148432 1.5417992 0.021973834 14650 1.0044445 1.202732 -0.30299314 1.5057252 0.020788272 14700 1.0294913 1.248971 -0.2943007 1.5432717 0.021654251 14750 1.0215866 1.2359931 -0.29542899 1.5314221 0.021779412 14800 1.0034066 1.2065545 -0.29761478 1.5041693 0.020768614 14850 1.0180232 1.2342152 -0.29186526 1.5260805 0.021864534 14900 1.0427329 1.2700827 -0.293039 1.5631217 0.021739231 14950 1.0085359 1.2276178 -0.28424059 1.5118583 0.023051204 15000 1.0251309 1.2396662 -0.2970691 1.5367353 0.019827418 15050 0.99730427 1.1909641 -0.30405734 1.4950214 0.020421432 15100 0.98915124 1.185069 -0.29773049 1.4827995 0.021157023 15150 0.99096146 1.194039 -0.29147419 1.4855132 0.022285045 15200 1.006788 1.2192847 -0.28995338 1.5092381 0.023555104 15250 0.98618406 1.1845307 -0.29382082 1.4783515 0.021811548 15300 0.99739716 1.2000997 -0.29506095 1.4951607 0.021370193 15350 1.0034548 1.211582 -0.29265942 1.5042415 0.020735567 15400 0.97806789 1.1702242 -0.29596072 1.4661849 0.020506811 15450 1.043512 1.2641392 -0.30015046 1.5642897 0.021898312 15500 0.98444897 1.176459 -0.29929149 1.4757505 0.022182678 15550 0.97424975 1.1612851 -0.29917612 1.4604613 0.021273055 15600 1.0386398 1.2575284 -0.29945768 1.556986 0.023729182 15650 0.99688459 1.1985732 -0.29581911 1.4943923 0.022084883 15700 0.97672323 1.1618302 -0.30233898 1.4641692 0.019780522 15750 0.9914906 1.1912175 -0.29508892 1.4863064 0.02161608 15800 0.99094559 1.2005899 -0.28489946 1.4854894 0.02202048 15850 0.98500262 1.187737 -0.28884346 1.4765805 0.020745185 15900 1.0093099 1.2257955 -0.28722316 1.5130187 0.022874956 15950 1.0059922 1.2127373 -0.29530787 1.5080451 0.021728392 16000 0.99640518 1.1911899 -0.30248378 1.4936736 0.020621294 Loop time of 99.2628 on 8 procs for 15000 steps with 1600 atoms Performance: 65281.249 tau/day, 151.114 timesteps/s, 241.782 katom-step/s 257.9% CPU use with 1 MPI tasks x 8 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 1.4023 | 1.4023 | 1.4023 | 0.0 | 1.41 Neigh | 1.0637 | 1.0637 | 1.0637 | 0.0 | 1.07 Comm | 0.65506 | 0.65506 | 0.65506 | 0.0 | 0.66 Output | 90.033 | 90.033 | 90.033 | 0.0 | 90.70 Modify | 5.863 | 5.863 | 5.863 | 0.0 | 5.91 Other | | 0.2455 | | | 0.25 Nlocal: 1600 ave 1600 max 1600 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1195 ave 1195 max 1195 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 6847 ave 6847 max 6847 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 6847 Ave neighs/atom = 4.279375 Neighbor list builds = 1867 Dangerous builds = 0