LAMMPS (23 Jun 2022) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Potential info: W potential Atomic number: 74 Potential info: W potential Atomic number: 74 Potential info: W potential Atomic number: 74 Potential info: W potential Atomic number: 74 Reading data file ... triclinic box = (0 0 0) to (201.658 304.38627 65.252239) with tilt (0 -0.062212535 0) 2 by 2 by 1 MPI processor grid reading atoms ... 252620 atoms reading velocities ... 252620 velocities read_data CPU = 0.744 seconds Changing box ... triclinic box = (0 0 0) to (201.658 304.38627 65.252239) with tilt (0 -0.062212535 0) Potential info: W potential Atomic number: 74 Potential info: W potential Atomic number: 74 Potential info: W potential Atomic number: 74 Potential info: W potential Atomic number: 74 WARNING: KIM Model does not provide 'partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1134) CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Your simulation uses code contributions which should be cited: - OpenKIM: https://doi.org/10.1007/s11837-011-0102-6 - OpenKIM potential: https://openkim.org/cite/MO_195478838873_002#item-citation The log file lists these citations in BibTeX format. CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:187) Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.2689 ghost atom cutoff = 6.2689 binsize = 3.13445, bins = 65 98 21 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.2689 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 39.04 | 39.34 | 39.83 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 0 252620 0 276.01994 -2247358.2 0 -2247358.2 4005308.2 461.61964 -134.29065 500.73083 -5.2780885 3.8272 59.621459 1 252620 0 294.7529 -2247387.3 0 -2247387.3 4005308.2 473.56998 -108.71368 519.40241 -4.6899345 2.8790306 49.779366 2 252620 0 302.82808 -2247412.2 0 -2247412.2 4005308.2 466.42511 -90.54796 532.60708 -4.3318641 2.9737587 57.008817 3 252620 0 293.02682 -2247431.9 0 -2247431.9 4005308.2 431.83075 -85.682846 532.93256 -4.0525804 4.3912566 77.776924 4 252620 0 295.68534 -2247443.5 0 -2247443.5 4005308.2 409.21511 -47.733658 525.57458 -3.8029251 4.6252445 110.7697 5 252620 0 282.20943 -2247462.1 0 -2247462.1 4005308.2 382.71618 -49.992761 513.90486 -3.2584584 5.1035784 118.97063 6 252620 0 253.19052 -2247474.6 0 -2247474.6 4005308.2 341.89571 -81.454856 499.1307 -1.3979248 6.557824 110.35826 7 252620 0 222.35391 -2247480.8 0 -2247480.8 4005308.2 294.31444 -107.04713 479.79443 -0.20165134 7.2520551 106.24057 8 252620 0 216.49186 -2247485.6 0 -2247485.6 4005308.2 286.12161 -110.10431 473.45827 -0.014959352 6.92424 109.09903 9 252620 0 209.34955 -2247490.9 0 -2247490.9 4005308.2 278.38873 -113.84188 463.5018 1.9971578 7.5664837 108.49517 10 252620 0 185.84554 -2247498.6 0 -2247498.6 4005308.2 245.80752 -131.76424 443.49334 3.990832 8.795956 106.32778 11 252620 0 161.66013 -2247505.4 0 -2247505.4 4005308.2 200.44862 -144.32607 428.85784 3.1539893 12.080435 99.53329 12 252620 0 146.89875 -2247514.1 0 -2247514.1 4005308.2 169.83548 -149.57738 420.43814 2.8812996 14.586706 98.643608 13 252620 0 130.18949 -2247520.5 0 -2247520.5 4005308.2 138.83724 -161.11473 412.84596 2.9998508 16.87305 101.64816 14 252620 0 117.62727 -2247523.9 0 -2247523.9 4005308.2 107.84179 -160.39884 405.43886 1.8068175 18.01524 103.18145 15 252620 0 105.91326 -2247528.5 0 -2247528.5 4005308.2 76.737283 -154.14619 395.1487 -0.85792353 15.443876 105.31477 16 252620 0 100.43194 -2247535.4 0 -2247535.4 4005308.2 65.520427 -150.87179 386.64718 -3.2817646 14.692464 108.8715 17 252620 0 108.15267 -2247540.7 0 -2247540.7 4005308.2 79.749151 -143.18963 387.89849 -5.7152373 14.0309 110.89605 18 252620 0 110.5112 -2247544.1 0 -2247544.1 4005308.2 87.030182 -143.63776 388.14117 -7.2263587 11.949985 109.99675 19 252620 0 103.01304 -2247547.2 0 -2247547.2 4005308.2 84.598175 -154.66724 379.10818 -6.1508243 9.7641111 101.29384 20 252620 0 98.996065 -2247549 0 -2247549 4005308.2 83.952799 -160.68765 373.72305 -6.8046613 10.15863 96.75763 21 252620 0 96.847424 -2247553.1 0 -2247553.1 4005308.2 82.827042 -163.64077 371.356 -8.9675004 11.019313 95.740785 22 252620 0 91.383149 -2247555.2 0 -2247555.2 4005308.2 76.44328 -167.43595 365.14212 -9.4998913 11.992136 95.999046 23 252620 0 84.513319 -2247557 0 -2247557 4005308.2 68.627139 -173.20729 358.12011 -11.573189 12.808259 92.929513 24 252620 0 80.824013 -2247559 0 -2247559 4005308.2 63.452093 -174.20776 353.22771 -14.302391 12.23999 90.454186 25 252620 0 79.103342 -2247561.1 0 -2247561.1 4005308.2 62.470688 -175.18215 350.02149 -12.900659 11.479048 88.562304 26 252620 0 76.723301 -2247563 0 -2247563 4005308.2 61.851404 -178.01172 346.33022 -11.934342 11.100277 86.196329 27 252620 0 68.930922 -2247565.4 0 -2247565.4 4005308.2 56.962298 -186.18786 336.01833 -12.051101 12.337188 87.092162 28 252620 0 56.189679 -2247569 0 -2247569 4005308.2 46.611762 -198.54684 320.50411 -10.303343 13.115051 89.315182 29 252620 0 48.154461 -2247571.3 0 -2247571.3 4005308.2 38.468621 -207.13908 313.13384 -10.210249 13.155217 87.673556 30 252620 0 39.090488 -2247573.2 0 -2247573.2 4005308.2 29.833237 -216.18792 303.62615 -13.582537 12.687085 85.514618 31 252620 0 35.393999 -2247574.7 0 -2247574.7 4005308.2 27.968151 -220.72995 298.94379 -14.517616 12.801595 84.478957 32 252620 0 28.588507 -2247576.1 0 -2247576.1 4005308.2 23.81012 -228.69168 290.64709 -12.548001 15.383356 83.940341 33 252620 0 25.308657 -2247577 0 -2247577 4005308.2 21.798368 -231.16609 285.2937 -12.961869 17.125642 84.45293 34 252620 0 22.521983 -2247579.3 0 -2247579.3 4005308.2 18.808732 -233.31162 282.06884 -14.871302 17.14391 82.762821 35 252620 0 20.001026 -2247580.6 0 -2247580.6 4005308.2 15.069491 -234.00537 278.93896 -15.765502 16.179347 81.805577 36 252620 0 18.473801 -2247581.5 0 -2247581.5 4005308.2 13.161809 -234.02924 276.28883 -17.381357 15.172033 81.58947 37 252620 0 13.763852 -2247583.2 0 -2247583.2 4005308.2 8.3765211 -236.77079 269.68582 -19.666054 15.190728 81.46176 38 252620 0 9.3045725 -2247585.7 0 -2247585.7 4005308.2 5.1302729 -240.69316 263.47661 -19.54819 17.327348 76.117556 39 252620 0 6.5015901 -2247586.6 0 -2247586.6 4005308.2 1.3876326 -243.04791 261.16504 -21.965038 16.296164 71.380808 40 252620 0 -0.95107046 -2247590.7 0 -2247590.7 4005308.2 -10.430429 -247.81987 255.39709 -24.534089 14.894016 70.388589 41 252620 0 -3.4514172 -2247592.7 0 -2247592.7 4005308.2 -15.287454 -247.43693 252.37013 -25.181872 14.329975 71.310066 42 252620 0 -4.8477201 -2247593.4 0 -2247593.4 4005308.2 -18.348012 -248.18572 251.99057 -25.738123 14.586255 70.570106 43 252620 0 -9.8465307 -2247594.4 0 -2247594.4 4005308.2 -24.317496 -253.13342 247.91132 -27.427893 16.575741 68.298828 44 252620 0 -15.149584 -2247595.3 0 -2247595.3 4005308.2 -32.09247 -257.25827 243.90199 -29.715341 16.222438 66.501722 45 252620 0 -20.875773 -2247597.3 0 -2247597.3 4005308.2 -38.408813 -263.46955 239.25105 -31.124122 14.339289 62.044669 46 252620 0 -22.451601 -2247599.6 0 -2247599.6 4005308.2 -39.830623 -266.54958 239.0254 -33.288408 14.947227 56.238581 47 252620 0 -22.412054 -2247601.4 0 -2247601.4 4005308.2 -37.988113 -268.35074 239.10269 -35.301763 14.121303 53.496489 48 252620 0 -22.955571 -2247602.9 0 -2247602.9 4005308.2 -36.218682 -270.15426 237.50623 -36.154271 12.332364 51.984158 49 252620 0 -25.208398 -2247603.9 0 -2247603.9 4005308.2 -38.644653 -273.01425 236.03371 -36.692414 11.66574 50.003564 50 252620 0 -27.09493 -2247604.6 0 -2247604.6 4005308.2 -39.479437 -275.84882 234.04346 -36.999417 11.044549 48.804389 51 252620 0 -28.887052 -2247605.4 0 -2247605.4 4005308.2 -41.342952 -278.13366 232.81546 -37.469739 9.9640562 45.985688 52 252620 0 -32.982649 -2247607.2 0 -2247607.2 4005308.2 -43.088326 -285.35385 229.49423 -37.382812 9.1684501 38.651591 53 252620 0 -33.984194 -2247610 0 -2247610 4005308.2 -43.726027 -286.63541 228.40885 -34.513538 10.509202 30.462012 54 252620 0 -36.337584 -2247612.7 0 -2247612.7 4005308.2 -45.80791 -289.45678 226.25194 -35.583801 10.253519 24.048466 55 252620 0 -41.958787 -2247615.3 0 -2247615.3 4005308.2 -49.712585 -297.45519 221.29142 -37.575161 8.7372084 18.422604 56 252620 0 -43.334123 -2247616.9 0 -2247616.9 4005308.2 -51.600294 -298.32849 219.92641 -38.73062 7.3183977 15.077524 57 252620 0 -43.299122 -2247617.9 0 -2247617.9 4005308.2 -52.42911 -297.75712 220.28886 -39.1479 7.0588811 11.982932 58 252620 0 -44.507047 -2247619.7 0 -2247619.7 4005308.2 -53.293837 -298.96924 218.74194 -39.508901 7.94562 10.48293 59 252620 0 -46.271385 -2247620.8 0 -2247620.8 4005308.2 -54.700468 -301.7918 217.67812 -39.934454 7.9167488 8.9128146 60 252620 0 -47.850938 -2247621.3 0 -2247621.3 4005308.2 -55.737573 -304.4439 216.62866 -40.073094 7.5761246 7.2899585 61 252620 0 -49.138116 -2247621.8 0 -2247621.8 4005308.2 -56.170332 -307.03049 215.78647 -40.064706 7.5774509 5.6356536 62 252620 0 -53.486276 -2247622.5 0 -2247622.5 4005308.2 -59.2483 -314.38161 213.17108 -39.725726 6.963022 0.55799564 63 252620 0 -54.84266 -2247623 0 -2247623 4005308.2 -59.592599 -317.56221 212.62683 -39.767393 6.1660863 -3.1205364 64 252620 0 -56.91169 -2247624.4 0 -2247624.4 4005308.2 -60.839727 -320.45874 210.5634 -39.718496 6.3491677 -6.2600102 65 252620 0 -58.74252 -2247626 0 -2247626 4005308.2 -64.050147 -321.88589 209.70848 -39.705288 6.3741776 -9.2995421 66 252620 0 -60.513384 -2247627 0 -2247627 4005308.2 -66.243765 -323.44439 208.14801 -39.802615 6.9979246 -10.845453 67 252620 0 -60.890013 -2247627.6 0 -2247627.6 4005308.2 -66.46099 -323.98719 207.77814 -39.642151 7.2229424 -11.744481 68 252620 0 -62.672157 -2247628.1 0 -2247628.1 4005308.2 -68.488694 -325.8735 206.34573 -39.908868 7.1620658 -13.479767 69 252620 0 -64.957281 -2247628.9 0 -2247628.9 4005308.2 -70.352556 -329.20597 204.68668 -40.732115 6.9879838 -17.075027 70 252620 0 -67.578962 -2247630 0 -2247630 4005308.2 -73.242037 -332.20134 202.70649 -37.360947 9.7270357 -25.373294 71 252620 0 -68.253728 -2247631.6 0 -2247631.6 4005308.2 -75.253457 -331.86302 202.35529 -36.739682 10.268093 -34.910129 72 252620 0 -72.67526 -2247635.4 0 -2247635.4 4005308.2 -79.751983 -337.14997 198.87618 -39.452237 8.8627452 -43.234702 73 252620 0 -75.068065 -2247637.6 0 -2247637.6 4005308.2 -82.705353 -338.71626 196.21741 -39.190861 8.058399 -45.995343 74 252620 0 -76.289572 -2247638.7 0 -2247638.7 4005308.2 -84.083917 -340.25589 195.47109 -39.115385 8.3944689 -46.729405 75 252620 0 -77.785646 -2247639.4 0 -2247639.4 4005308.2 -85.34837 -342.43697 194.4284 -37.901198 9.5396839 -47.009166 76 252620 0 -77.446647 -2247640 0 -2247640 4005308.2 -84.655605 -342.70279 195.01846 -35.871646 10.816871 -46.939586 77 252620 0 -77.194594 -2247640.3 0 -2247640.3 4005308.2 -84.41357 -342.7134 195.54319 -35.17987 10.897032 -47.288035 78 252620 0 -77.912514 -2247640.7 0 -2247640.7 4005308.2 -85.377961 -343.14986 194.79028 -35.239089 10.934876 -47.567844 79 252620 0 -77.304411 -2247641 0 -2247641 4005308.2 -84.935845 -341.92442 194.94703 -35.871836 10.908827 -47.471975 80 252620 0 -77.573702 -2247641.4 0 -2247641.4 4005308.2 -85.389124 -342.08251 194.75052 -36.378981 10.376759 -48.357188 81 252620 0 -81.443946 -2247642 0 -2247642 4005308.2 -88.257854 -348.24363 192.16964 -36.522268 10.661227 -51.714026 82 252620 0 -81.95967 -2247642.4 0 -2247642.4 4005308.2 -89.053295 -349.18981 192.36409 -35.137379 11.434278 -54.06846 83 252620 0 -81.731852 -2247643.6 0 -2247643.6 4005308.2 -89.766909 -347.87348 192.44483 -34.945232 11.522114 -57.052378 84 252620 0 -84.561744 -2247644.9 0 -2247644.9 4005308.2 -93.055578 -350.92897 190.29932 -36.500813 10.88919 -60.394944 85 252620 0 -85.441888 -2247646.6 0 -2247646.6 4005308.2 -94.957837 -350.96206 189.59423 -35.02041 10.691335 -63.358321 86 252620 0 -86.313504 -2247647.7 0 -2247647.7 4005308.2 -96.241591 -351.0782 188.37928 -34.785513 11.051179 -65.129505 87 252620 0 -87.539495 -2247648.3 0 -2247648.3 4005308.2 -97.424119 -352.6124 187.41804 -34.890153 11.227195 -65.691068 88 252620 0 -88.411069 -2247648.7 0 -2247648.7 4005308.2 -97.90242 -354.19278 186.86199 -34.342545 11.34305 -66.994186 89 252620 0 -90.201382 -2247648.9 0 -2247648.9 4005308.2 -99.638585 -357.05642 186.09085 -33.688155 12.10541 -68.813934 90 252620 0 -91.401232 -2247649.4 0 -2247649.4 4005308.2 -100.54765 -358.77465 185.11861 -33.897354 12.667117 -70.606975 91 252620 0 -91.609462 -2247649.7 0 -2247649.7 4005308.2 -101.05248 -358.76547 184.98957 -34.123681 11.699571 -72.16492 92 252620 0 -92.272303 -2247650 0 -2247650 4005308.2 -101.75732 -359.5078 184.44821 -34.281547 11.50767 -73.846897 93 252620 0 -93.526201 -2247650.3 0 -2247650.3 4005308.2 -102.84381 -361.05284 183.31805 -34.394564 12.450593 -74.217339 94 252620 0 -93.851462 -2247650.6 0 -2247650.6 4005308.2 -103.26148 -361.59462 183.30172 -34.334113 12.284755 -74.840655 95 252620 0 -93.938793 -2247650.8 0 -2247650.8 4005308.2 -103.37701 -361.59348 183.15412 -34.485619 11.710107 -75.298568 96 252620 0 -95.289709 -2247651.2 0 -2247651.2 4005308.2 -105.08431 -363.19429 182.40947 -34.885354 10.808703 -76.710329 97 252620 0 -96.764543 -2247652.5 0 -2247652.5 4005308.2 -107.27285 -364.43574 181.41496 -34.952397 10.658973 -83.450938 98 252620 0 -95.596189 -2247653 0 -2247653 4005308.2 -107.18844 -362.19242 182.59229 -33.517913 11.528899 -86.261469 99 252620 0 -96.536903 -2247654.9 0 -2247654.9 4005308.2 -109.10323 -362.9546 182.44712 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-156.87451 -230.62166 229.27401 -48.065607 -3.9801568 -166.61253 567 252620 0 -52.741445 -2247697.6 0 -2247697.6 4005308.2 -156.87586 -230.62239 229.27392 -48.066025 -3.9800652 -166.61213 568 252620 0 -52.735217 -2247697.6 0 -2247697.6 4005308.2 -156.87256 -230.61191 229.27883 -48.064735 -3.9802252 -166.61121 569 252620 0 -52.735533 -2247697.6 0 -2247697.6 4005308.2 -156.8758 -230.6105 229.2797 -48.066176 -3.9806056 -166.61097 570 252620 0 -52.724008 -2247697.6 0 -2247697.6 4005308.2 -156.87314 -230.58908 229.29019 -48.06499 -3.9816873 -166.60761 571 252620 0 -52.6809 -2247697.6 0 -2247697.6 4005308.2 -156.85882 -230.51245 229.32857 -48.05981 -3.9798287 -166.60261 572 252620 0 -52.663579 -2247697.6 0 -2247697.6 4005308.2 -156.85991 -230.47766 229.34684 -48.063395 -3.9780214 -166.60022 573 252620 0 -52.653158 -2247697.6 0 -2247697.6 4005308.2 -156.85397 -230.46094 229.35544 -48.0597 -3.9764744 -166.59827 574 252620 0 -52.650737 -2247697.6 0 -2247697.6 4005308.2 -156.8534 -230.45638 229.35757 -48.059516 -3.975666 -166.59841 575 252620 0 -52.648305 -2247697.6 0 -2247697.6 4005308.2 -156.85189 -230.45238 229.35935 -48.059811 -3.975386 -166.59745 576 252620 0 -52.646773 -2247697.6 0 -2247697.6 4005308.2 -156.85149 -230.45 229.36118 -48.059503 -3.974982 -166.59724 577 252620 0 -52.644404 -2247697.6 0 -2247697.6 4005308.2 -156.85193 -230.44527 229.36399 -48.059089 -3.9748127 -166.59718 578 252620 0 -52.641778 -2247697.6 0 -2247697.6 4005308.2 -156.85136 -230.44027 229.3663 -48.058855 -3.9755322 -166.59555 579 252620 0 -52.642092 -2247697.6 0 -2247697.6 4005308.2 -156.85145 -230.44074 229.36591 -48.059083 -3.9756343 -166.59527 580 252620 0 -52.642092 -2247697.6 0 -2247697.6 4005308.2 -156.85145 -230.44074 229.36591 -48.059083 -3.9756343 -166.59527 Loop time of 202.99 on 4 procs for 580 steps with 252620 atoms 98.9% CPU use with 4 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = linesearch alpha is zero Energy initial, next-to-last, final = -2247358.19023717 -2247697.61236374 -2247697.61236374 Force two-norm initial, final = 42.427281 0.0048172731 Force max component initial, final = 2.1311197 0.00012502241 Final line search alpha, max atom move = 0.00048828125 6.10461e-08 Iterations, force evaluations = 580 2751 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 190.57 | 193.79 | 197.69 | 22.8 | 95.47 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 3.0678 | 6.9736 | 10.192 | 119.7 | 3.44 Output | 0.33164 | 0.3347 | 0.34205 | 0.7 | 0.16 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.889 | | | 0.93 Nlocal: 63155 ave 64170 max 62135 min Histogram: 2 0 0 0 0 0 0 0 0 2 Nghost: 27732 ave 28797 max 26669 min Histogram: 1 1 0 0 0 0 0 0 1 1 Neighs: 0 ave 0 max 0 min Histogram: 4 0 0 0 0 0 0 0 0 0 FullNghs: 3.66774e+06 ave 3.72646e+06 max 3.60854e+06 min Histogram: 1 1 0 0 0 0 0 0 0 2 Total # of neighbors = 14670980 Ave neighs/atom = 58.075291 Neighbor list builds = 0 Dangerous builds = 0 WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:187) Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.2689 ghost atom cutoff = 6.2689 binsize = 3.13445, bins = 65 98 21 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 6.2689 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 580 WARNING: Energy due to 6 extra global DOFs will be included in minimizer energies Per MPI rank memory allocation (min/avg/max) = 39.29 | 39.59 | 39.7 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 580 252620 0 -52.642092 -2247697.6 0 -2247697.6 4005308.2 -156.85145 -230.44074 229.36591 -48.059083 -3.9756343 -166.59527 581 252620 0 -24.990239 -2247697.6 0 -2247697.6 4005277.4 -102.33107 -175.7549 203.11526 -46.366618 3.245987 -28.105185 582 252620 0 10.084788 -2247697.7 0 -2247697.7 4005240.5 -26.781521 -80.974817 138.0107 -41.990298 -11.840384 33.252727 583 252620 0 3.9477966 -2247697.7 0 -2247697.7 4005249.4 -22.533833 -59.348094 93.725317 -39.325417 25.214271 -11.11395 584 252620 0 -0.96235922 -2247697.7 0 -2247697.7 4005256.8 -15.004002 -36.386546 48.503471 -35.573557 -30.927032 -15.258722 585 252620 0 -4.2018094 -2247697.7 0 -2247697.7 4005262.3 -4.992704 -11.364788 3.7520634 -31.486795 -18.427848 -5.5441075 586 252620 0 -3.4187009 -2247697.7 0 -2247697.7 4005261.4 -4.0389127 -10.165871 3.9486813 -31.113328 -5.8184211 -3.8282454 587 252620 0 -2.404562 -2247697.7 0 -2247697.7 4005260.2 -2.8250553 -8.5222047 4.1335741 -30.465053 0.48389691 -1.9468249 588 252620 0 5.3188568 -2247697.7 0 -2247697.7 4005251.2 6.1831336 5.4451775 4.3282595 -23.295554 -4.8868833 8.4510611 589 252620 0 6.465756 -2247697.7 0 -2247697.7 4005249.9 7.1657984 11.601029 0.63044037 -16.204976 7.3628389 3.7517458 590 252620 0 3.0704284 -2247697.7 0 -2247697.7 4005254 3.0125135 11.61391 -5.4151378 -9.0213255 -0.19659095 -4.6578071 591 252620 0 -1.6925581 -2247697.7 0 -2247697.7 4005259.5 -1.7861766 5.1263096 -8.4178073 -5.4378917 -2.4129272 0.38894 592 252620 0 -1.4683047 -2247697.7 0 -2247697.7 4005259.2 -1.4639194 3.5500398 -6.4910344 -4.5694222 2.8702521 0.8450377 593 252620 0 0.12153753 -2247697.7 0 -2247697.7 4005257.3 0.34386801 0.67828383 -0.65753924 -2.7833494 2.9999667 0.4224941 594 252620 0 0.085186853 -2247697.7 0 -2247697.7 4005257.4 0.27318723 0.59230699 -0.60993365 -2.7096338 -0.15340543 0.22080072 595 252620 0 -0.12361188 -2247697.7 0 -2247697.7 4005257.6 -0.13829077 0.023791972 -0.25633685 -2.263081 -0.10757311 -0.64081235 596 252620 0 -0.087622855 -2247697.7 0 -2247697.7 4005257.5 -0.13664585 -0.20313653 0.076913816 -1.8188839 0.40103813 0.19208334 597 252620 0 -0.080462551 -2247697.7 0 -2247697.7 4005257.5 -0.13043307 -0.20531068 0.094356093 -1.7906455 0.33241745 0.20916371 598 252620 0 -0.080462551 -2247697.7 0 -2247697.7 4005257.5 -0.13043307 -0.20531068 0.094356093 -1.7906455 0.33241745 0.20916371 Loop time of 10.2317 on 4 procs for 18 steps with 252620 atoms 97.4% CPU use with 4 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = linesearch alpha is zero Energy initial, next-to-last, final = -2247697.61236374 -2247697.67702799 -2247697.67702799 Force two-norm initial, final = 1574.6394 5.1826344 Force max component initial, final = 1287.0881 3.8761519 Final line search alpha, max atom move = 3.9365818e-10 1.5258789e-09 Iterations, force evaluations = 18 126 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 8.8489 | 8.9698 | 9.0993 | 3.7 | 87.67 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.14198 | 0.27215 | 0.39227 | 21.0 | 2.66 Output | 0.0091855 | 0.0092504 | 0.0094165 | 0.1 | 0.09 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.9805 | | | 9.58 Nlocal: 63155 ave 63745 max 62470 min Histogram: 1 0 1 0 0 0 0 0 0 2 Nghost: 27747.5 ave 28513 max 27066 min Histogram: 1 1 0 0 0 0 1 0 0 1 Neighs: 0 ave 0 max 0 min Histogram: 4 0 0 0 0 0 0 0 0 0 FullNghs: 3.6658e+06 ave 3.70064e+06 max 3.62561e+06 min Histogram: 1 0 1 0 0 0 0 0 0 2 Total # of neighbors = 14663210 Ave neighs/atom = 58.044533 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:03:34