Loading examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.1 +215 −215 Original line number Diff line number Diff line Loading @@ -52,233 +52,233 @@ Neighbor list info ... Per MPI rank memory allocation (min/avg/max) = 2.742 | 2.742 | 2.742 Mbytes Step c_1_press[1] c_1_press[2] c_1_press[3] 0 6.3937851 7.0436438 6.4461087 50 8.656807 7.9950197 15.884241 100 11.492654 12.329741 17.658703 150 8.6981119 8.6206624 14.114117 200 6.1456927 6.4457399 11.199275 250 5.5832485 5.5648091 10.400142 300 6.1328799 6.3010248 12.010437 350 7.1731722 7.5434426 14.588724 400 9.3347098 8.6490053 16.710495 450 9.5796766 8.9745197 18.230488 500 8.4810279 7.6334377 15.050771 550 6.5621497 7.401369 12.711355 600 6.5868791 6.4912059 13.361745 650 7.8188208 7.1180707 14.27939 700 7.6714427 7.8664221 14.845323 750 7.1545213 8.1596642 14.255973 800 8.1950866 8.6441652 15.642584 850 8.5624855 8.4004152 15.303218 900 7.2513729 7.5226938 12.951415 950 6.9147541 7.4166796 13.712136 1000 7.9356665 7.9447497 14.787789 1050 8.0049947 8.3262124 15.736553 1100 7.4778576 7.8850531 15.063925 1150 7.5982598 7.3264091 14.300757 1200 7.7140371 7.2955688 14.347757 1250 7.4219774 7.0057022 13.701556 1300 8.0349765 7.8954305 14.361289 1350 7.6041533 8.1862555 15.296344 1400 7.7416819 7.7959914 15.162316 1450 8.0188314 7.2866705 14.983598 1500 7.4473216 7.3994359 14.067676 1550 7.8852675 7.3618461 14.061472 1600 7.7365655 7.5982634 14.68822 1650 8.3347522 8.1032999 16.189298 1700 8.021765 7.6018364 14.337751 1750 6.8819319 6.5380502 13.166309 1800 6.6099094 6.915077 12.331541 1850 7.4163951 7.8158695 14.534615 1900 8.4061445 8.3757582 15.887245 1950 8.1452338 8.4887365 15.059168 2000 8.6938353 9.0101284 16.680096 2050 7.4587753 7.7917795 15.211311 2100 7.0551172 7.110128 14.141606 2150 7.0175122 6.6961241 14.279182 2200 6.9961187 7.3322415 13.171629 2250 7.5170372 7.2002508 13.655891 2300 7.5550073 7.889281 15.268156 2350 8.6343715 8.1446746 15.343131 2400 7.8734662 8.2266284 15.094857 2450 8.4135272 8.7207275 16.025335 2500 7.2176413 7.863538 16.295816 2550 8.1745427 8.093571 14.982008 2600 7.3905296 7.033819 13.473161 2650 6.7049957 6.4518564 13.109849 2700 7.0979639 7.2722444 13.108017 2750 8.013824 7.9399712 14.221876 2800 8.4370721 8.6814371 16.44629 2850 7.8347153 8.1521156 15.561372 2900 8.035115 7.8964336 14.867854 2950 7.1672845 7.3532206 15.440881 3000 7.5346666 6.9003742 14.27777 3050 7.3784203 7.3252438 14.047681 3100 7.2587022 6.9154856 13.171992 3150 7.2711856 7.7599218 15.241926 3200 8.5378786 8.4297377 15.866421 3250 8.0342828 8.0687328 15.416609 3300 7.5984747 7.2012637 13.601468 3350 7.3021124 6.9641186 12.646778 3400 7.209707 7.8050641 14.085147 3450 7.5112359 7.7338405 15.677763 3500 8.8355621 8.8289163 16.331319 3550 7.9119042 8.47938 14.393274 3600 7.4370847 7.2492674 14.933099 3650 7.2371175 7.2652477 13.586608 3700 7.172453 6.5367899 14.64114 3750 7.3950889 7.1264975 14.372124 3800 7.7074509 7.5716747 14.839055 3850 7.8509762 8.1926443 15.486783 3900 8.0742138 7.8584144 14.887115 3950 6.9346973 7.8694823 14.666153 4000 7.6621984 7.6382651 14.793905 4050 7.4090172 7.3118869 14.993099 4100 7.6033087 8.3890976 15.461012 4150 8.0450732 8.2172794 16.263521 4200 7.1723176 6.8215613 12.761291 4250 7.1840793 7.219089 14.163744 4300 7.1380776 7.5355394 14.487621 4350 7.6523602 7.7530752 15.549788 4400 7.9503171 8.0947449 15.058755 4450 7.5850837 7.5248838 15.796171 4500 7.1597196 7.0346482 13.889614 4550 7.5588017 7.4473311 14.513886 4600 7.1855439 7.7743654 13.928596 4650 7.8936012 8.0911603 15.821516 4700 7.5437461 8.4762734 15.249242 4750 7.5999136 8.0141389 14.942225 4800 7.6708678 7.4003145 13.855277 4850 7.5902038 7.0718185 14.676038 4900 7.6448398 7.7623026 15.013123 4950 8.1761651 8.2132532 15.827257 5000 7.5310459 7.9710358 14.570133 5050 7.3910867 7.9090596 14.644752 5100 7.5096472 8.0032554 14.151557 5150 7.4930298 7.6627654 14.776418 5200 8.0258893 6.9808848 14.80221 5250 7.621093 7.5081066 14.18567 5300 7.7724131 7.3547437 13.390993 5350 7.7141018 7.4182737 15.383453 5400 7.5798525 7.604214 13.772184 5450 8.1532137 7.7843706 15.636038 5500 8.0049611 7.79693 14.435558 5550 8.2449821 7.9493856 15.227616 5600 8.3248504 7.6677271 14.929828 5650 7.7005024 7.8412131 14.508952 5700 7.3062546 7.3272456 13.075895 5750 7.2476367 7.1095473 14.729012 5800 8.302566 8.358882 14.667741 5850 8.3481651 7.7985514 15.305433 5900 6.6533193 7.1150305 13.497761 5950 7.2385939 7.9132287 14.889887 6000 7.5594171 7.7167581 14.878921 6050 7.5977124 7.583702 15.842984 6100 8.1433134 8.1548274 15.253848 6150 7.4371297 7.7036444 13.892215 6200 7.3807114 7.2270114 14.32622 6250 7.5101996 6.7835902 14.62525 6300 7.779059 7.0241215 14.008402 6350 7.7217303 7.8795697 14.544095 6400 8.0987528 8.2649512 15.615863 6450 7.5662457 7.4332335 14.174783 6500 7.3672018 7.691987 13.757496 6550 7.4424935 7.4401054 14.660643 6600 8.0670938 8.4028068 15.558513 6650 7.9428662 7.5886468 15.814302 6700 7.5792547 7.5877961 14.300332 6750 6.6732262 7.5855672 14.322929 6800 7.2340735 7.6129085 13.010849 6850 7.3530804 7.2093837 14.012405 6900 8.1335803 8.1621205 14.290907 6950 8.0140455 8.0254163 15.242386 7000 7.9944794 8.1150205 15.343835 7050 7.6449634 8.4930222 16.254105 7100 8.1486038 7.5521474 14.659373 7150 6.9146032 7.1979211 13.220697 7200 7.1472024 6.8585436 13.747498 7250 7.0570799 7.1226848 13.576252 7300 7.5713738 7.5064849 14.195069 7350 8.6995152 8.4776231 15.983028 7400 8.0043956 8.3894875 16.583907 7450 7.6606913 7.6695256 13.758723 7500 6.925632 7.1358864 13.882849 7550 7.284765 7.4400093 12.797499 7600 7.1815013 7.0465795 14.661597 7650 9.0926556 8.6982979 16.243272 7700 9.0289976 8.2542699 15.359908 7750 7.6042308 7.350186 15.701097 7800 7.7931461 7.5777572 14.397664 7850 6.9603382 6.7910235 14.020762 7900 7.0994051 6.7555761 13.020541 7950 7.4253662 7.0888087 15.177881 8000 8.0943311 8.5234668 15.990661 8050 7.8770545 8.1329374 14.434819 8100 7.114341 7.9621662 15.488984 8150 7.6483959 7.7800045 14.790885 8200 6.8915301 7.4275666 14.360578 8250 6.8943728 7.4597132 13.852787 8300 7.5013271 8.0231338 14.983933 8350 7.285471 7.5175898 15.318651 8400 8.0954536 8.3126472 15.494494 8450 7.7122605 7.4228532 15.422058 8500 8.0793058 7.077081 14.736069 8550 7.1928433 6.8056774 13.691643 8600 7.0377566 7.3074361 14.141988 8650 7.3824217 7.4739032 14.679069 8700 7.7684482 8.1554503 15.191035 8750 7.9590885 8.1135479 14.338724 8800 8.1231133 7.7860088 15.403904 8850 8.5000448 8.1024052 15.173116 8900 7.3845853 7.9495964 14.619746 8950 7.5818306 7.2248015 14.621207 9000 7.2164673 6.6633348 15.609622 9050 7.5851603 8.0836264 15.022988 9100 7.8771779 7.6350639 14.077462 9150 7.6077035 6.8475422 14.315993 9200 7.6583735 7.5077759 14.569883 9250 7.5263046 7.7028057 14.57854 9300 7.2162602 8.053893 16.02041 9350 8.3756477 8.1996826 14.70403 9400 7.7634122 7.5041574 13.936959 9450 7.3067071 7.7438443 14.542518 9500 7.4048127 7.44049 14.821218 9550 7.2884669 7.9974016 14.367535 9600 7.4198667 7.9510424 15.713394 9650 7.9099018 8.0161955 15.006711 9700 7.3372719 7.419692 14.320242 9750 7.2075957 7.3109181 14.541501 9800 7.6617849 7.7279899 15.018225 9850 7.6595385 7.138483 14.400928 9900 7.1440851 7.3065973 12.81291 9950 7.5757356 7.3889652 14.59353 10000 8.5866601 8.347723 16.125389 Loop time of 3.74766 on 1 procs for 10000 steps with 500 atoms 50 7.9020345 7.303289 14.733929 100 8.3214325 8.385843 13.166247 150 5.7168419 5.6083988 9.7224198 200 3.8875348 4.0840705 7.9912973 250 4.2933724 4.2410519 7.7200953 300 4.5452314 4.2434949 8.6709832 350 5.446489 5.6166962 11.300536 400 6.0682558 5.7787878 12.106852 450 5.3884296 5.5066688 9.9100012 500 4.8046418 4.7115986 9.9769201 550 4.9043933 4.6240966 9.319336 600 4.6843238 4.9571246 9.5325487 650 5.1952989 5.195648 9.6187047 700 5.4163364 5.2938289 10.136655 750 5.6723178 5.0670261 11.415221 800 5.9379901 5.6402916 10.815209 850 5.0695389 5.3021432 10.742859 900 4.6498962 4.7111912 9.8453523 950 4.4811641 5.170132 9.421765 1000 4.7501483 4.2420772 9.3510803 1050 4.5973379 5.2046799 9.8632975 1100 4.7879562 4.9051316 9.8658626 1150 5.0528771 5.5048545 10.110913 1200 4.9926563 5.2482081 9.9610863 1250 4.8476232 4.8498859 9.5752989 1300 5.2932038 5.0594534 10.869545 1350 5.4720421 5.0830442 10.69386 1400 4.8175566 4.9863651 10.041898 1450 4.6307145 4.5615459 9.231299 1500 5.0296259 4.5433558 8.7180513 1550 4.8708444 5.1601014 10.256791 1600 5.5098593 5.316773 10.224386 1650 5.5055907 5.0516814 10.272037 1700 4.6965552 5.2436628 9.8272905 1750 5.0212307 4.740601 8.9738802 1800 4.7756351 5.199734 9.9929449 1850 4.7107092 5.177203 10.580427 1900 5.0935608 4.5286844 9.3036832 1950 4.8035855 4.894359 9.4423987 2000 4.5643937 4.7480477 9.4384251 2050 4.9314701 4.990414 10.151815 2100 5.9828824 5.8188026 12.262691 2150 5.5337303 5.4598468 10.136112 2200 4.892172 4.8699674 9.1629905 2250 4.5680591 4.5740533 9.5633545 2300 5.0023535 4.3948659 8.9645774 2350 5.2533056 4.9803884 10.255653 2400 5.3330196 5.3888322 10.021617 2450 5.2095527 4.8765336 10.135381 2500 5.221153 5.2974568 10.2493 2550 5.385331 5.0801192 10.490479 2600 5.3274988 5.0253548 10.147587 2650 4.718677 5.2710337 9.7549521 2700 4.5811521 4.6083971 8.1923164 2750 4.4743752 4.3319737 8.8690805 2800 5.0215013 5.2262961 9.8627954 2850 6.1005107 5.5994942 11.170661 2900 5.9673524 5.362124 10.401699 2950 5.5400849 5.7523993 10.292536 3000 4.9202636 5.1210431 10.125839 3050 4.5286487 5.3586164 9.8634322 3100 4.5719961 5.1615414 9.8027972 3150 5.4091919 4.8581943 9.96938 3200 5.522125 5.3564838 9.7638407 3250 4.9019062 5.2514758 9.2993079 3300 5.2375918 5.1439012 9.4313575 3350 4.750235 4.8692016 10.54193 3400 5.5793211 5.4184157 11.021389 3450 4.9022614 5.3166498 9.4629659 3500 4.6348617 4.4650979 9.0665548 3550 4.7922405 4.8961269 10.255446 3600 4.8914457 5.1158894 9.4736084 3650 5.062771 4.6725475 10.263484 3700 5.4842823 5.7793971 10.342915 3750 5.3136012 5.063065 10.398307 3800 4.9372149 4.9270414 9.5304748 3850 5.2144752 5.1716455 9.7575725 3900 5.0892665 5.1697057 9.918052 3950 5.1124507 5.354702 9.791366 4000 5.1255084 5.1143653 10.913101 4050 5.1891698 4.9913681 9.6871728 4100 4.7663368 4.2435014 8.3815668 4150 4.8060033 4.3415868 9.6553386 4200 4.8548303 4.8006768 9.5995801 4250 5.0976366 5.2683175 10.386444 4300 5.8921937 5.5134696 10.788143 4350 5.8323871 5.5255869 11.199128 4400 5.2464655 5.0005905 10.311055 4450 4.9264849 5.2499854 10.26702 4500 4.4431895 4.536981 8.7489096 4550 4.5180914 4.2080277 8.6525529 4600 5.1782188 5.1224059 10.683341 4650 5.4156233 4.8714464 10.473939 4700 5.3107669 5.224614 10.569391 4750 4.9538022 5.2509475 10.288918 4800 4.6976945 4.8107142 9.8299772 4850 5.1227936 5.0737571 10.440452 4900 4.7580514 4.6375995 9.1971008 4950 5.0647601 4.6470735 9.583131 5000 5.196231 5.7531491 10.409807 5050 5.6691323 5.7163652 12.335701 5100 5.3603738 5.4887106 10.961712 5150 4.455028 4.6494465 9.8096968 5200 4.7596912 4.4804896 9.3762885 5250 5.3144927 5.0113772 9.553101 5300 5.3445266 4.8262035 9.1220802 5350 5.1540657 5.5982676 10.765178 5400 5.1773418 5.2684381 10.452351 5450 4.8946859 5.3283747 9.8015564 5500 5.2009608 4.7183522 9.4558009 5550 5.4158589 5.5005458 10.539505 5600 4.7196831 5.4181991 9.6439249 5650 4.8333571 4.8601728 8.9350189 5700 5.4395698 4.9730096 10.669681 5750 5.2947443 5.6973259 10.020539 5800 5.4391993 5.5255143 10.264969 5850 4.9921388 5.2643827 10.217028 5900 5.0048643 4.7952641 8.9718929 5950 5.1843818 4.5987295 9.6858944 6000 5.0343993 4.946933 9.7436708 6050 4.6202714 5.3502658 10.752915 6100 5.6914422 5.3621964 10.281827 6150 5.1928763 5.9652686 10.923881 6200 5.0030409 5.2013891 10.056308 6250 4.9699876 5.2363753 9.9964211 6300 4.9129606 4.4558458 9.0419952 6350 4.6623958 4.4078264 8.528649 6400 4.9811441 5.1183207 10.261751 6450 5.3644017 5.5153937 10.401295 6500 5.6674981 5.7427566 11.928777 6550 5.1622364 5.3212928 10.067198 6600 4.5954278 5.1645397 10.16724 6650 4.9192712 5.0413326 9.95656 6700 4.6179845 4.5656214 9.3798952 6750 4.7287495 4.5071148 8.7890116 6800 4.8600442 4.8083512 10.245595 6850 5.0515531 5.1609272 10.553855 6900 5.1159742 5.1359869 10.594699 6950 4.8908884 5.0592418 9.5698704 7000 4.7654136 4.7530776 8.9439321 7050 4.779293 4.7534957 9.7244349 7100 5.2265831 5.6869073 10.32717 7150 5.4019177 5.15174 10.457567 7200 4.9817102 5.0596098 10.337574 7250 5.1836654 5.6065238 10.723108 7300 4.2916569 4.457143 8.5419099 7350 4.3906104 4.5439294 9.0805415 7400 4.998572 5.3386063 10.491418 7450 5.1109022 5.0506801 10.636116 7500 5.0248381 5.019932 10.217023 7550 5.0109265 5.1438717 9.9032426 7600 4.6628614 4.6204146 8.9459669 7650 4.8930717 5.0650009 10.049331 7700 4.9373454 5.6265835 10.210644 7750 5.5001067 5.3133253 10.667995 7800 5.0816102 5.0125753 10.591986 7850 4.9638046 5.1969015 9.9728333 7900 4.8438207 4.9217213 8.9978809 7950 4.7318805 4.6248537 8.6806596 8000 5.2808543 5.2892613 10.932535 8050 5.9609722 5.87087 10.47602 8100 5.2190231 5.6693244 11.244536 8150 5.3481127 5.2849903 10.222845 8200 4.7833053 4.7404657 9.2034474 8250 4.5461994 4.510467 10.294452 8300 4.6025175 4.8332817 8.7967546 8350 5.0389897 5.6642908 10.243402 8400 4.8414338 4.8925143 9.3653631 8450 5.5087429 4.7830361 10.831666 8500 5.2678146 5.1697789 9.9105782 8550 5.1211843 4.9097801 9.4165956 8600 5.8239149 5.0821022 10.803261 8650 5.3620154 5.5831747 11.16202 8700 5.1625813 4.8791404 10.537681 8750 4.5622461 5.0157549 10.013227 8800 4.4051517 5.0224553 9.6364273 8850 4.1711629 4.635617 8.5470244 8900 4.7049907 5.2458435 10.100728 8950 4.8568883 5.2360772 9.2306469 9000 5.0091899 5.2203574 10.718541 9050 5.1037824 4.9022451 10.24271 9100 5.0789015 4.9331454 9.173614 9150 5.3865455 5.3427553 11.40199 9200 5.5089482 5.9423232 10.976063 9250 5.1353552 5.0650262 10.040607 9300 4.6761948 4.9155175 9.6413722 9350 4.4780834 4.3934708 8.7049819 9400 4.2561799 4.7906324 9.046134 9450 5.6162819 5.2881846 9.9040868 9500 5.7554547 5.6111262 10.23849 9550 5.4230462 5.5656045 10.908006 9600 5.5045685 4.9818892 9.8929535 9650 5.0541481 5.0183351 9.5226021 9700 4.9712829 5.2395398 9.9996693 9750 5.0960017 5.4419775 10.914719 9800 5.0790688 5.6378474 10.00789 9850 4.9661747 5.114502 9.4585052 9900 5.0133498 4.7456254 9.4572653 9950 5.3318846 4.6643122 10.096292 10000 5.2227687 4.8924305 9.5894615 Loop time of 4.78247 on 1 procs for 10000 steps with 500 atoms Performance: 1152718.368 tau/day, 2668.330 timesteps/s 99.4% CPU use with 1 MPI tasks x no OpenMP threads Performance: 903298.340 tau/day, 2090.968 timesteps/s 99.2% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.64903 | 0.64903 | 0.64903 | 0.0 | 17.32 Neigh | 2.2534 | 2.2534 | 2.2534 | 0.0 | 60.13 Comm | 0.22293 | 0.22293 | 0.22293 | 0.0 | 5.95 Output | 0.0034931 | 0.0034931 | 0.0034931 | 0.0 | 0.09 Modify | 0.53533 | 0.53533 | 0.53533 | 0.0 | 14.28 Other | | 0.08346 | | | 2.23 Pair | 0.73894 | 0.73894 | 0.73894 | 0.0 | 15.45 Neigh | 2.9092 | 2.9092 | 2.9092 | 0.0 | 60.83 Comm | 0.32306 | 0.32306 | 0.32306 | 0.0 | 6.76 Output | 0.003392 | 0.003392 | 0.003392 | 0.0 | 0.07 Modify | 0.6959 | 0.6959 | 0.6959 | 0.0 | 14.55 Other | | 0.112 | | | 2.34 Nlocal: 500 ave 500 max 500 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 919 ave 919 max 919 min Nghost: 905 ave 905 max 905 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 3662 ave 3662 max 3662 min Neighs: 3340 ave 3340 max 3340 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 3662 Ave neighs/atom = 7.324 Neighbor list builds = 4480 Total # of neighbors = 3340 Ave neighs/atom = 6.68 Neighbor list builds = 4580 Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:00:03 Total wall time: 0:00:04 examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.4 +219 −219 File changed.Preview size limit exceeded, changes collapsed. 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examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.1 +215 −215 Original line number Diff line number Diff line Loading @@ -52,233 +52,233 @@ Neighbor list info ... Per MPI rank memory allocation (min/avg/max) = 2.742 | 2.742 | 2.742 Mbytes Step c_1_press[1] c_1_press[2] c_1_press[3] 0 6.3937851 7.0436438 6.4461087 50 8.656807 7.9950197 15.884241 100 11.492654 12.329741 17.658703 150 8.6981119 8.6206624 14.114117 200 6.1456927 6.4457399 11.199275 250 5.5832485 5.5648091 10.400142 300 6.1328799 6.3010248 12.010437 350 7.1731722 7.5434426 14.588724 400 9.3347098 8.6490053 16.710495 450 9.5796766 8.9745197 18.230488 500 8.4810279 7.6334377 15.050771 550 6.5621497 7.401369 12.711355 600 6.5868791 6.4912059 13.361745 650 7.8188208 7.1180707 14.27939 700 7.6714427 7.8664221 14.845323 750 7.1545213 8.1596642 14.255973 800 8.1950866 8.6441652 15.642584 850 8.5624855 8.4004152 15.303218 900 7.2513729 7.5226938 12.951415 950 6.9147541 7.4166796 13.712136 1000 7.9356665 7.9447497 14.787789 1050 8.0049947 8.3262124 15.736553 1100 7.4778576 7.8850531 15.063925 1150 7.5982598 7.3264091 14.300757 1200 7.7140371 7.2955688 14.347757 1250 7.4219774 7.0057022 13.701556 1300 8.0349765 7.8954305 14.361289 1350 7.6041533 8.1862555 15.296344 1400 7.7416819 7.7959914 15.162316 1450 8.0188314 7.2866705 14.983598 1500 7.4473216 7.3994359 14.067676 1550 7.8852675 7.3618461 14.061472 1600 7.7365655 7.5982634 14.68822 1650 8.3347522 8.1032999 16.189298 1700 8.021765 7.6018364 14.337751 1750 6.8819319 6.5380502 13.166309 1800 6.6099094 6.915077 12.331541 1850 7.4163951 7.8158695 14.534615 1900 8.4061445 8.3757582 15.887245 1950 8.1452338 8.4887365 15.059168 2000 8.6938353 9.0101284 16.680096 2050 7.4587753 7.7917795 15.211311 2100 7.0551172 7.110128 14.141606 2150 7.0175122 6.6961241 14.279182 2200 6.9961187 7.3322415 13.171629 2250 7.5170372 7.2002508 13.655891 2300 7.5550073 7.889281 15.268156 2350 8.6343715 8.1446746 15.343131 2400 7.8734662 8.2266284 15.094857 2450 8.4135272 8.7207275 16.025335 2500 7.2176413 7.863538 16.295816 2550 8.1745427 8.093571 14.982008 2600 7.3905296 7.033819 13.473161 2650 6.7049957 6.4518564 13.109849 2700 7.0979639 7.2722444 13.108017 2750 8.013824 7.9399712 14.221876 2800 8.4370721 8.6814371 16.44629 2850 7.8347153 8.1521156 15.561372 2900 8.035115 7.8964336 14.867854 2950 7.1672845 7.3532206 15.440881 3000 7.5346666 6.9003742 14.27777 3050 7.3784203 7.3252438 14.047681 3100 7.2587022 6.9154856 13.171992 3150 7.2711856 7.7599218 15.241926 3200 8.5378786 8.4297377 15.866421 3250 8.0342828 8.0687328 15.416609 3300 7.5984747 7.2012637 13.601468 3350 7.3021124 6.9641186 12.646778 3400 7.209707 7.8050641 14.085147 3450 7.5112359 7.7338405 15.677763 3500 8.8355621 8.8289163 16.331319 3550 7.9119042 8.47938 14.393274 3600 7.4370847 7.2492674 14.933099 3650 7.2371175 7.2652477 13.586608 3700 7.172453 6.5367899 14.64114 3750 7.3950889 7.1264975 14.372124 3800 7.7074509 7.5716747 14.839055 3850 7.8509762 8.1926443 15.486783 3900 8.0742138 7.8584144 14.887115 3950 6.9346973 7.8694823 14.666153 4000 7.6621984 7.6382651 14.793905 4050 7.4090172 7.3118869 14.993099 4100 7.6033087 8.3890976 15.461012 4150 8.0450732 8.2172794 16.263521 4200 7.1723176 6.8215613 12.761291 4250 7.1840793 7.219089 14.163744 4300 7.1380776 7.5355394 14.487621 4350 7.6523602 7.7530752 15.549788 4400 7.9503171 8.0947449 15.058755 4450 7.5850837 7.5248838 15.796171 4500 7.1597196 7.0346482 13.889614 4550 7.5588017 7.4473311 14.513886 4600 7.1855439 7.7743654 13.928596 4650 7.8936012 8.0911603 15.821516 4700 7.5437461 8.4762734 15.249242 4750 7.5999136 8.0141389 14.942225 4800 7.6708678 7.4003145 13.855277 4850 7.5902038 7.0718185 14.676038 4900 7.6448398 7.7623026 15.013123 4950 8.1761651 8.2132532 15.827257 5000 7.5310459 7.9710358 14.570133 5050 7.3910867 7.9090596 14.644752 5100 7.5096472 8.0032554 14.151557 5150 7.4930298 7.6627654 14.776418 5200 8.0258893 6.9808848 14.80221 5250 7.621093 7.5081066 14.18567 5300 7.7724131 7.3547437 13.390993 5350 7.7141018 7.4182737 15.383453 5400 7.5798525 7.604214 13.772184 5450 8.1532137 7.7843706 15.636038 5500 8.0049611 7.79693 14.435558 5550 8.2449821 7.9493856 15.227616 5600 8.3248504 7.6677271 14.929828 5650 7.7005024 7.8412131 14.508952 5700 7.3062546 7.3272456 13.075895 5750 7.2476367 7.1095473 14.729012 5800 8.302566 8.358882 14.667741 5850 8.3481651 7.7985514 15.305433 5900 6.6533193 7.1150305 13.497761 5950 7.2385939 7.9132287 14.889887 6000 7.5594171 7.7167581 14.878921 6050 7.5977124 7.583702 15.842984 6100 8.1433134 8.1548274 15.253848 6150 7.4371297 7.7036444 13.892215 6200 7.3807114 7.2270114 14.32622 6250 7.5101996 6.7835902 14.62525 6300 7.779059 7.0241215 14.008402 6350 7.7217303 7.8795697 14.544095 6400 8.0987528 8.2649512 15.615863 6450 7.5662457 7.4332335 14.174783 6500 7.3672018 7.691987 13.757496 6550 7.4424935 7.4401054 14.660643 6600 8.0670938 8.4028068 15.558513 6650 7.9428662 7.5886468 15.814302 6700 7.5792547 7.5877961 14.300332 6750 6.6732262 7.5855672 14.322929 6800 7.2340735 7.6129085 13.010849 6850 7.3530804 7.2093837 14.012405 6900 8.1335803 8.1621205 14.290907 6950 8.0140455 8.0254163 15.242386 7000 7.9944794 8.1150205 15.343835 7050 7.6449634 8.4930222 16.254105 7100 8.1486038 7.5521474 14.659373 7150 6.9146032 7.1979211 13.220697 7200 7.1472024 6.8585436 13.747498 7250 7.0570799 7.1226848 13.576252 7300 7.5713738 7.5064849 14.195069 7350 8.6995152 8.4776231 15.983028 7400 8.0043956 8.3894875 16.583907 7450 7.6606913 7.6695256 13.758723 7500 6.925632 7.1358864 13.882849 7550 7.284765 7.4400093 12.797499 7600 7.1815013 7.0465795 14.661597 7650 9.0926556 8.6982979 16.243272 7700 9.0289976 8.2542699 15.359908 7750 7.6042308 7.350186 15.701097 7800 7.7931461 7.5777572 14.397664 7850 6.9603382 6.7910235 14.020762 7900 7.0994051 6.7555761 13.020541 7950 7.4253662 7.0888087 15.177881 8000 8.0943311 8.5234668 15.990661 8050 7.8770545 8.1329374 14.434819 8100 7.114341 7.9621662 15.488984 8150 7.6483959 7.7800045 14.790885 8200 6.8915301 7.4275666 14.360578 8250 6.8943728 7.4597132 13.852787 8300 7.5013271 8.0231338 14.983933 8350 7.285471 7.5175898 15.318651 8400 8.0954536 8.3126472 15.494494 8450 7.7122605 7.4228532 15.422058 8500 8.0793058 7.077081 14.736069 8550 7.1928433 6.8056774 13.691643 8600 7.0377566 7.3074361 14.141988 8650 7.3824217 7.4739032 14.679069 8700 7.7684482 8.1554503 15.191035 8750 7.9590885 8.1135479 14.338724 8800 8.1231133 7.7860088 15.403904 8850 8.5000448 8.1024052 15.173116 8900 7.3845853 7.9495964 14.619746 8950 7.5818306 7.2248015 14.621207 9000 7.2164673 6.6633348 15.609622 9050 7.5851603 8.0836264 15.022988 9100 7.8771779 7.6350639 14.077462 9150 7.6077035 6.8475422 14.315993 9200 7.6583735 7.5077759 14.569883 9250 7.5263046 7.7028057 14.57854 9300 7.2162602 8.053893 16.02041 9350 8.3756477 8.1996826 14.70403 9400 7.7634122 7.5041574 13.936959 9450 7.3067071 7.7438443 14.542518 9500 7.4048127 7.44049 14.821218 9550 7.2884669 7.9974016 14.367535 9600 7.4198667 7.9510424 15.713394 9650 7.9099018 8.0161955 15.006711 9700 7.3372719 7.419692 14.320242 9750 7.2075957 7.3109181 14.541501 9800 7.6617849 7.7279899 15.018225 9850 7.6595385 7.138483 14.400928 9900 7.1440851 7.3065973 12.81291 9950 7.5757356 7.3889652 14.59353 10000 8.5866601 8.347723 16.125389 Loop time of 3.74766 on 1 procs for 10000 steps with 500 atoms 50 7.9020345 7.303289 14.733929 100 8.3214325 8.385843 13.166247 150 5.7168419 5.6083988 9.7224198 200 3.8875348 4.0840705 7.9912973 250 4.2933724 4.2410519 7.7200953 300 4.5452314 4.2434949 8.6709832 350 5.446489 5.6166962 11.300536 400 6.0682558 5.7787878 12.106852 450 5.3884296 5.5066688 9.9100012 500 4.8046418 4.7115986 9.9769201 550 4.9043933 4.6240966 9.319336 600 4.6843238 4.9571246 9.5325487 650 5.1952989 5.195648 9.6187047 700 5.4163364 5.2938289 10.136655 750 5.6723178 5.0670261 11.415221 800 5.9379901 5.6402916 10.815209 850 5.0695389 5.3021432 10.742859 900 4.6498962 4.7111912 9.8453523 950 4.4811641 5.170132 9.421765 1000 4.7501483 4.2420772 9.3510803 1050 4.5973379 5.2046799 9.8632975 1100 4.7879562 4.9051316 9.8658626 1150 5.0528771 5.5048545 10.110913 1200 4.9926563 5.2482081 9.9610863 1250 4.8476232 4.8498859 9.5752989 1300 5.2932038 5.0594534 10.869545 1350 5.4720421 5.0830442 10.69386 1400 4.8175566 4.9863651 10.041898 1450 4.6307145 4.5615459 9.231299 1500 5.0296259 4.5433558 8.7180513 1550 4.8708444 5.1601014 10.256791 1600 5.5098593 5.316773 10.224386 1650 5.5055907 5.0516814 10.272037 1700 4.6965552 5.2436628 9.8272905 1750 5.0212307 4.740601 8.9738802 1800 4.7756351 5.199734 9.9929449 1850 4.7107092 5.177203 10.580427 1900 5.0935608 4.5286844 9.3036832 1950 4.8035855 4.894359 9.4423987 2000 4.5643937 4.7480477 9.4384251 2050 4.9314701 4.990414 10.151815 2100 5.9828824 5.8188026 12.262691 2150 5.5337303 5.4598468 10.136112 2200 4.892172 4.8699674 9.1629905 2250 4.5680591 4.5740533 9.5633545 2300 5.0023535 4.3948659 8.9645774 2350 5.2533056 4.9803884 10.255653 2400 5.3330196 5.3888322 10.021617 2450 5.2095527 4.8765336 10.135381 2500 5.221153 5.2974568 10.2493 2550 5.385331 5.0801192 10.490479 2600 5.3274988 5.0253548 10.147587 2650 4.718677 5.2710337 9.7549521 2700 4.5811521 4.6083971 8.1923164 2750 4.4743752 4.3319737 8.8690805 2800 5.0215013 5.2262961 9.8627954 2850 6.1005107 5.5994942 11.170661 2900 5.9673524 5.362124 10.401699 2950 5.5400849 5.7523993 10.292536 3000 4.9202636 5.1210431 10.125839 3050 4.5286487 5.3586164 9.8634322 3100 4.5719961 5.1615414 9.8027972 3150 5.4091919 4.8581943 9.96938 3200 5.522125 5.3564838 9.7638407 3250 4.9019062 5.2514758 9.2993079 3300 5.2375918 5.1439012 9.4313575 3350 4.750235 4.8692016 10.54193 3400 5.5793211 5.4184157 11.021389 3450 4.9022614 5.3166498 9.4629659 3500 4.6348617 4.4650979 9.0665548 3550 4.7922405 4.8961269 10.255446 3600 4.8914457 5.1158894 9.4736084 3650 5.062771 4.6725475 10.263484 3700 5.4842823 5.7793971 10.342915 3750 5.3136012 5.063065 10.398307 3800 4.9372149 4.9270414 9.5304748 3850 5.2144752 5.1716455 9.7575725 3900 5.0892665 5.1697057 9.918052 3950 5.1124507 5.354702 9.791366 4000 5.1255084 5.1143653 10.913101 4050 5.1891698 4.9913681 9.6871728 4100 4.7663368 4.2435014 8.3815668 4150 4.8060033 4.3415868 9.6553386 4200 4.8548303 4.8006768 9.5995801 4250 5.0976366 5.2683175 10.386444 4300 5.8921937 5.5134696 10.788143 4350 5.8323871 5.5255869 11.199128 4400 5.2464655 5.0005905 10.311055 4450 4.9264849 5.2499854 10.26702 4500 4.4431895 4.536981 8.7489096 4550 4.5180914 4.2080277 8.6525529 4600 5.1782188 5.1224059 10.683341 4650 5.4156233 4.8714464 10.473939 4700 5.3107669 5.224614 10.569391 4750 4.9538022 5.2509475 10.288918 4800 4.6976945 4.8107142 9.8299772 4850 5.1227936 5.0737571 10.440452 4900 4.7580514 4.6375995 9.1971008 4950 5.0647601 4.6470735 9.583131 5000 5.196231 5.7531491 10.409807 5050 5.6691323 5.7163652 12.335701 5100 5.3603738 5.4887106 10.961712 5150 4.455028 4.6494465 9.8096968 5200 4.7596912 4.4804896 9.3762885 5250 5.3144927 5.0113772 9.553101 5300 5.3445266 4.8262035 9.1220802 5350 5.1540657 5.5982676 10.765178 5400 5.1773418 5.2684381 10.452351 5450 4.8946859 5.3283747 9.8015564 5500 5.2009608 4.7183522 9.4558009 5550 5.4158589 5.5005458 10.539505 5600 4.7196831 5.4181991 9.6439249 5650 4.8333571 4.8601728 8.9350189 5700 5.4395698 4.9730096 10.669681 5750 5.2947443 5.6973259 10.020539 5800 5.4391993 5.5255143 10.264969 5850 4.9921388 5.2643827 10.217028 5900 5.0048643 4.7952641 8.9718929 5950 5.1843818 4.5987295 9.6858944 6000 5.0343993 4.946933 9.7436708 6050 4.6202714 5.3502658 10.752915 6100 5.6914422 5.3621964 10.281827 6150 5.1928763 5.9652686 10.923881 6200 5.0030409 5.2013891 10.056308 6250 4.9699876 5.2363753 9.9964211 6300 4.9129606 4.4558458 9.0419952 6350 4.6623958 4.4078264 8.528649 6400 4.9811441 5.1183207 10.261751 6450 5.3644017 5.5153937 10.401295 6500 5.6674981 5.7427566 11.928777 6550 5.1622364 5.3212928 10.067198 6600 4.5954278 5.1645397 10.16724 6650 4.9192712 5.0413326 9.95656 6700 4.6179845 4.5656214 9.3798952 6750 4.7287495 4.5071148 8.7890116 6800 4.8600442 4.8083512 10.245595 6850 5.0515531 5.1609272 10.553855 6900 5.1159742 5.1359869 10.594699 6950 4.8908884 5.0592418 9.5698704 7000 4.7654136 4.7530776 8.9439321 7050 4.779293 4.7534957 9.7244349 7100 5.2265831 5.6869073 10.32717 7150 5.4019177 5.15174 10.457567 7200 4.9817102 5.0596098 10.337574 7250 5.1836654 5.6065238 10.723108 7300 4.2916569 4.457143 8.5419099 7350 4.3906104 4.5439294 9.0805415 7400 4.998572 5.3386063 10.491418 7450 5.1109022 5.0506801 10.636116 7500 5.0248381 5.019932 10.217023 7550 5.0109265 5.1438717 9.9032426 7600 4.6628614 4.6204146 8.9459669 7650 4.8930717 5.0650009 10.049331 7700 4.9373454 5.6265835 10.210644 7750 5.5001067 5.3133253 10.667995 7800 5.0816102 5.0125753 10.591986 7850 4.9638046 5.1969015 9.9728333 7900 4.8438207 4.9217213 8.9978809 7950 4.7318805 4.6248537 8.6806596 8000 5.2808543 5.2892613 10.932535 8050 5.9609722 5.87087 10.47602 8100 5.2190231 5.6693244 11.244536 8150 5.3481127 5.2849903 10.222845 8200 4.7833053 4.7404657 9.2034474 8250 4.5461994 4.510467 10.294452 8300 4.6025175 4.8332817 8.7967546 8350 5.0389897 5.6642908 10.243402 8400 4.8414338 4.8925143 9.3653631 8450 5.5087429 4.7830361 10.831666 8500 5.2678146 5.1697789 9.9105782 8550 5.1211843 4.9097801 9.4165956 8600 5.8239149 5.0821022 10.803261 8650 5.3620154 5.5831747 11.16202 8700 5.1625813 4.8791404 10.537681 8750 4.5622461 5.0157549 10.013227 8800 4.4051517 5.0224553 9.6364273 8850 4.1711629 4.635617 8.5470244 8900 4.7049907 5.2458435 10.100728 8950 4.8568883 5.2360772 9.2306469 9000 5.0091899 5.2203574 10.718541 9050 5.1037824 4.9022451 10.24271 9100 5.0789015 4.9331454 9.173614 9150 5.3865455 5.3427553 11.40199 9200 5.5089482 5.9423232 10.976063 9250 5.1353552 5.0650262 10.040607 9300 4.6761948 4.9155175 9.6413722 9350 4.4780834 4.3934708 8.7049819 9400 4.2561799 4.7906324 9.046134 9450 5.6162819 5.2881846 9.9040868 9500 5.7554547 5.6111262 10.23849 9550 5.4230462 5.5656045 10.908006 9600 5.5045685 4.9818892 9.8929535 9650 5.0541481 5.0183351 9.5226021 9700 4.9712829 5.2395398 9.9996693 9750 5.0960017 5.4419775 10.914719 9800 5.0790688 5.6378474 10.00789 9850 4.9661747 5.114502 9.4585052 9900 5.0133498 4.7456254 9.4572653 9950 5.3318846 4.6643122 10.096292 10000 5.2227687 4.8924305 9.5894615 Loop time of 4.78247 on 1 procs for 10000 steps with 500 atoms Performance: 1152718.368 tau/day, 2668.330 timesteps/s 99.4% CPU use with 1 MPI tasks x no OpenMP threads Performance: 903298.340 tau/day, 2090.968 timesteps/s 99.2% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.64903 | 0.64903 | 0.64903 | 0.0 | 17.32 Neigh | 2.2534 | 2.2534 | 2.2534 | 0.0 | 60.13 Comm | 0.22293 | 0.22293 | 0.22293 | 0.0 | 5.95 Output | 0.0034931 | 0.0034931 | 0.0034931 | 0.0 | 0.09 Modify | 0.53533 | 0.53533 | 0.53533 | 0.0 | 14.28 Other | | 0.08346 | | | 2.23 Pair | 0.73894 | 0.73894 | 0.73894 | 0.0 | 15.45 Neigh | 2.9092 | 2.9092 | 2.9092 | 0.0 | 60.83 Comm | 0.32306 | 0.32306 | 0.32306 | 0.0 | 6.76 Output | 0.003392 | 0.003392 | 0.003392 | 0.0 | 0.07 Modify | 0.6959 | 0.6959 | 0.6959 | 0.0 | 14.55 Other | | 0.112 | | | 2.34 Nlocal: 500 ave 500 max 500 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 919 ave 919 max 919 min Nghost: 905 ave 905 max 905 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 3662 ave 3662 max 3662 min Neighs: 3340 ave 3340 max 3340 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 3662 Ave neighs/atom = 7.324 Neighbor list builds = 4480 Total # of neighbors = 3340 Ave neighs/atom = 6.68 Neighbor list builds = 4580 Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:00:03 Total wall time: 0:00:04
examples/USER/uef/npt_biaxial/log.22Sep17.npt_biaxial.g++.4 +219 −219 File changed.Preview size limit exceeded, changes collapsed. Show changes
