LAMMPS (2 Aug 2023 - Update 1) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Reading data file ... triclinic box = (0 0 0) to (143.94064 217.12357 44.318105) with tilt (0 -0.42721877 0) 1 by 2 by 1 MPI processor grid reading atoms ... 92160 atoms reading velocities ... 92160 velocities read_data CPU = 0.299 seconds Changing box ... triclinic box = (0 0 0) to (143.94064 217.12357 44.318105) with tilt (0 -0.42721877 0) CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Your simulation uses code contributions which should be cited: - OpenKIM Project: doi:10.1007/s11837-011-0102-6 - OpenKIM potential: https://openkim.org/cite/MO_500121566391_004#item-citation The log file lists these citations in BibTeX format. CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE 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 = 5.3 ghost atom cutoff = 5.3 binsize = 2.65, bins = 55 82 17 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 31.28 | 31.28 | 31.28 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 0 92160 0 447.91492 -531623.87 0 -531623.87 1385069.6 814.90782 392.09777 136.73918 296.04369 -17.816593 11.781579 1 92160 0 471.58117 -531627.39 0 -531627.39 1385069.6 838.28208 438.78062 137.68082 295.47611 -8.4442103 11.770793 2 92160 0 489.05966 -531629.14 0 -531629.14 1385069.6 869.65996 455.12408 142.39494 307.75997 -8.0319848 11.830499 3 92160 0 500.67862 -531629.78 0 -531629.78 1385069.6 874.71901 469.51141 157.80545 314.51317 -7.0164512 14.475465 4 92160 0 508.85119 -531630.32 0 -531630.32 1385069.6 888.76475 473.44531 164.3435 316.89288 -8.0024186 14.97062 5 92160 0 508.29127 -531630.65 0 -531630.65 1385069.6 891.1309 472.20907 161.53383 316.99468 -8.4937799 14.232154 6 92160 0 508.90535 -531630.95 0 -531630.95 1385069.6 888.95435 471.15893 166.60277 316.10144 -12.791567 12.069337 7 92160 0 506.83389 -531631.39 0 -531631.39 1385069.6 884.51112 466.06105 169.9295 315.02506 -19.650535 8.6653064 8 92160 0 511.43106 -531631.88 0 -531631.88 1385069.6 883.14712 466.0434 185.10267 313.54068 -18.526872 4.932035 9 92160 0 516.86459 -531632.09 0 -531632.09 1385069.6 894.11417 466.18957 190.29003 314.82222 -17.081628 4.4818874 10 92160 0 519.17416 -531632.34 0 -531632.34 1385069.6 903.19114 466.17195 188.1594 316.76509 -15.059747 6.943608 11 92160 0 521.75657 -531632.49 0 -531632.49 1385069.6 902.85978 470.17156 192.23836 317.79246 -9.3047671 9.2719513 12 92160 0 522.96817 -531632.62 0 -531632.62 1385069.6 901.6831 473.41366 193.80774 319.82059 -3.9645302 12.401003 13 92160 0 522.77844 -531632.85 0 -531632.85 1385069.6 901.49352 473.48741 193.35438 319.98975 0.81351365 16.707615 14 92160 0 521.84624 -531633.08 0 -531633.08 1385069.6 897.10421 472.76505 195.66947 318.17867 1.8840675 18.605832 15 92160 0 523.41555 -531633.17 0 -531633.17 1385069.6 894.56138 476.3426 199.34268 319.49068 2.8339324 18.14002 16 92160 0 525.13801 -531633.25 0 -531633.25 1385069.6 898.13327 476.98202 200.29875 320.29829 3.2457382 18.200785 17 92160 0 525.2048 -531633.32 0 -531633.32 1385069.6 901.29548 474.56997 199.74895 319.53464 2.822382 18.329781 18 92160 0 524.28695 -531633.39 0 -531633.39 1385069.6 899.46087 472.65138 200.74861 318.29 3.5464486 18.545586 19 92160 0 521.66298 -531633.48 0 -531633.48 1385069.6 897.14378 469.19783 198.64734 317.35318 3.5471994 18.549002 20 92160 0 519.3162 -531633.56 0 -531633.56 1385069.6 896.00846 464.30596 197.63419 315.94605 5.6171725 19.307781 21 92160 0 520.94675 -531633.71 0 -531633.71 1385069.6 898.65296 463.32939 200.8579 315.82033 8.6030711 20.702216 22 92160 0 521.46881 -531633.77 0 -531633.77 1385069.6 900.29609 462.82494 201.28538 316.07444 8.6611197 20.926008 23 92160 0 520.33302 -531633.81 0 -531633.81 1385069.6 898.98717 462.53706 199.47484 316.74132 8.1865057 21.136226 24 92160 0 520.24103 -531633.88 0 -531633.88 1385069.6 896.47028 464.38145 199.87134 318.11664 8.8536411 21.719329 25 92160 0 519.44477 -531633.93 0 -531633.93 1385069.6 895.08679 464.33358 198.91395 318.57868 7.4797593 21.201605 26 92160 0 516.8893 -531633.98 0 -531633.98 1385069.6 891.81796 462.62118 196.22874 318.36886 6.5902943 20.944067 27 92160 0 513.96603 -531634.01 0 -531634.01 1385069.6 885.37192 461.60429 194.92187 317.98196 7.0936286 20.661016 28 92160 0 512.12341 -531634.04 0 -531634.04 1385069.6 881.70117 460.88589 193.78318 317.97073 6.4413616 19.767521 29 92160 0 512.89571 -531634.09 0 -531634.09 1385069.6 885.52354 460.14824 193.01535 318.39037 5.0767464 19.069196 30 92160 0 514.02837 -531634.12 0 -531634.12 1385069.6 888.54767 459.92534 193.61209 318.80233 5.2596523 18.991312 31 92160 0 513.74339 -531634.16 0 -531634.16 1385069.6 885.99694 460.43964 194.79358 319.12407 6.0041428 19.19453 32 92160 0 513.06293 -531634.18 0 -531634.18 1385069.6 885.14664 459.62804 194.4141 318.9736 5.2080102 19.062845 33 92160 0 512.56654 -531634.22 0 -531634.22 1385069.6 886.80879 457.29027 193.60055 318.17246 4.979618 19.140738 34 92160 0 512.41931 -531634.23 0 -531634.23 1385069.6 886.68642 456.66405 193.90747 317.88782 5.4903854 19.394671 35 92160 0 511.87151 -531634.26 0 -531634.26 1385069.6 884.35147 457.25328 194.00978 318.1758 5.5431079 19.784721 36 92160 0 510.98214 -531634.29 0 -531634.29 1385069.6 883.07023 456.36251 193.51368 318.20756 6.3523664 20.596577 37 92160 0 510.75904 -531634.37 0 -531634.37 1385069.6 886.03827 453.10396 193.13489 317.65288 8.0918827 21.443488 38 92160 0 511.28224 -531634.4 0 -531634.4 1385069.6 886.98062 453.11962 193.7465 317.88176 7.4649185 21.413875 39 92160 0 510.12787 -531634.45 0 -531634.45 1385069.6 884.59939 452.65933 193.12489 318.38855 6.5002888 20.944548 40 92160 0 508.16837 -531634.49 0 -531634.49 1385069.6 882.23793 450.26155 192.00561 318.28433 6.4776454 20.370239 41 92160 0 507.8966 -531634.55 0 -531634.55 1385069.6 882.82405 449.16318 191.70256 318.24994 6.1945341 19.966375 42 92160 0 507.13314 -531634.6 0 -531634.6 1385069.6 881.39602 449.37307 190.63033 318.56224 6.3237401 19.922311 43 92160 0 505.72991 -531634.63 0 -531634.63 1385069.6 878.31239 449.11958 189.75775 318.5043 7.0755991 20.12209 44 92160 0 504.41331 -531634.64 0 -531634.64 1385069.6 875.85481 448.48772 188.89741 318.42252 7.5624531 20.293116 45 92160 0 504.37603 -531634.66 0 -531634.66 1385069.6 876.35998 448.15517 188.61294 318.44989 7.2342785 20.254915 46 92160 0 504.5551 -531634.67 0 -531634.67 1385069.6 877.15248 447.81486 188.69796 318.4292 6.8633904 20.193432 47 92160 0 504.71421 -531634.67 0 -531634.67 1385069.6 877.5144 447.73848 188.88974 318.55478 6.5317058 20.146864 48 92160 0 504.79954 -531634.68 0 -531634.68 1385069.6 877.66926 447.69923 189.03013 318.61166 6.2935201 20.107568 49 92160 0 504.7456 -531634.68 0 -531634.68 1385069.6 877.61595 447.64896 188.97189 318.56527 6.3092494 20.097987 50 92160 0 504.58182 -531634.69 0 -531634.69 1385069.6 877.38223 447.58224 188.78098 318.52187 6.4340904 20.045864 51 92160 0 504.44245 -531634.69 0 -531634.69 1385069.6 876.93256 447.56798 188.82683 318.48636 6.4646533 19.999821 52 92160 0 503.24137 -531634.74 0 -531634.74 1385069.6 875.45474 446.21744 188.05193 318.34066 6.2898019 19.717599 53 92160 0 501.79031 -531634.8 0 -531634.8 1385069.6 874.9327 443.66652 186.7717 318.16686 5.5834454 19.180716 54 92160 0 501.6237 -531634.84 0 -531634.84 1385069.6 875.44616 442.82647 186.59847 319.06472 4.3302236 18.66601 55 92160 0 500.8214 -531634.87 0 -531634.87 1385069.6 874.72709 441.8567 185.88041 319.36663 3.5612266 18.396444 56 92160 0 499.08969 -531634.92 0 -531634.92 1385069.6 872.09801 440.5911 184.57995 319.10751 3.5345255 18.411743 57 92160 0 498.52794 -531634.99 0 -531634.99 1385069.6 870.16169 440.66757 184.75456 319.0155 3.9183654 18.582543 58 92160 0 496.80864 -531635.07 0 -531635.07 1385069.6 868.0336 439.1958 183.19651 318.9168 4.8681173 18.955105 59 92160 0 495.92947 -531635.1 0 -531635.1 1385069.6 867.38169 438.38953 182.0172 318.99071 5.3823235 19.2332 60 92160 0 496.63765 -531635.11 0 -531635.11 1385069.6 867.80992 439.42504 182.678 319.56881 5.9761284 19.566007 61 92160 0 497.19334 -531635.13 0 -531635.13 1385069.6 868.48897 439.7531 183.33796 319.68343 6.0430188 19.612121 62 92160 0 496.76422 -531635.14 0 -531635.14 1385069.6 868.68912 438.73075 182.87278 319.28932 5.9590979 19.61142 63 92160 0 496.61758 -531635.14 0 -531635.14 1385069.6 868.10755 438.61614 183.12907 319.07734 5.9567941 19.725984 64 92160 0 496.17756 -531635.15 0 -531635.15 1385069.6 867.63025 437.76226 183.14019 318.59941 5.9814678 19.879896 65 92160 0 496.18546 -531635.16 0 -531635.16 1385069.6 868.82186 436.99464 182.73987 318.53225 6.0124773 19.884062 66 92160 0 497.13325 -531635.16 0 -531635.16 1385069.6 870.13182 437.91955 183.34836 319.03827 6.1353768 19.962383 67 92160 0 497.42261 -531635.17 0 -531635.17 1385069.6 869.84773 438.54553 183.87456 319.26192 6.313501 20.061383 68 92160 0 496.64576 -531635.18 0 -531635.18 1385069.6 868.80935 437.73552 183.39241 319.11523 6.644142 20.15228 69 92160 0 496.02477 -531635.19 0 -531635.19 1385069.6 868.84811 436.69656 182.52962 318.90048 6.6520268 20.08433 70 92160 0 496.19187 -531635.2 0 -531635.2 1385069.6 868.80932 437.01079 182.75549 318.98101 6.5454314 20.051576 71 92160 0 496.19273 -531635.2 0 -531635.2 1385069.6 868.47947 437.27445 182.82427 319.07672 6.4197145 20.011493 72 92160 0 496.17159 -531635.2 0 -531635.2 1385069.6 868.4649 437.30487 182.74501 319.07948 6.3261518 19.985256 73 92160 0 496.05245 -531635.21 0 -531635.21 1385069.6 868.31065 437.241 182.60571 319.08287 6.0919352 19.936527 74 92160 0 495.7409 -531635.21 0 -531635.21 1385069.6 867.44213 437.15996 182.62061 319.07198 5.8918102 19.919784 75 92160 0 494.68195 -531635.23 0 -531635.23 1385069.6 866.63634 436.25855 181.15097 319.29672 5.7102792 19.780203 76 92160 0 493.80523 -531635.24 0 -531635.24 1385069.6 865.81071 435.33151 180.27346 319.42406 5.565911 19.626671 77 92160 0 493.70155 -531635.27 0 -531635.27 1385069.6 865.23116 434.98295 180.89053 319.31638 5.528028 19.579649 78 92160 0 493.82749 -531635.28 0 -531635.28 1385069.6 865.06582 435.14194 181.27471 319.40563 5.5242817 19.528254 79 92160 0 493.69064 -531635.29 0 -531635.29 1385069.6 865.16489 435.09877 180.80828 319.44181 5.5368004 19.514948 80 92160 0 493.495 -531635.3 0 -531635.3 1385069.6 865.12107 434.6022 180.76175 319.20967 5.6166263 19.558784 81 92160 0 493.57839 -531635.3 0 -531635.3 1385069.6 865.39378 434.46475 180.87665 319.11713 5.7243829 19.640158 82 92160 0 493.90781 -531635.31 0 -531635.31 1385069.6 866.15104 434.24978 181.32262 318.93779 5.9915447 19.81464 83 92160 0 493.88756 -531635.31 0 -531635.31 1385069.6 866.32938 433.99438 181.3389 318.87748 6.1019424 19.859749 84 92160 0 493.85429 -531635.32 0 -531635.32 1385069.6 866.27838 434.04272 181.24176 318.94836 6.1241718 19.86601 85 92160 0 493.91336 -531635.32 0 -531635.32 1385069.6 866.24879 434.20277 181.28852 319.014 6.1544433 19.89678 86 92160 0 493.86791 -531635.32 0 -531635.32 1385069.6 866.09322 434.31563 181.19489 319.11266 6.209515 19.942851 87 92160 0 493.77148 -531635.33 0 -531635.33 1385069.6 865.8392 434.39953 181.07572 319.17547 6.2532598 19.972863 88 92160 0 493.71304 -531635.33 0 -531635.33 1385069.6 865.70893 434.38498 181.04523 319.15197 6.238621 19.957845 89 92160 0 493.54589 -531635.33 0 -531635.33 1385069.6 865.42683 434.30249 180.90835 319.1197 6.1658062 19.9025 90 92160 0 493.53956 -531635.33 0 -531635.33 1385069.6 865.53741 434.16094 180.92033 319.07243 6.1585385 19.908612 91 92160 0 493.53758 -531635.34 0 -531635.34 1385069.6 865.64051 434.01999 180.95224 319.02066 6.1822324 19.909762 92 92160 0 493.48889 -531635.34 0 -531635.34 1385069.6 866.04612 433.47071 180.94983 318.99234 6.2805495 19.862118 93 92160 0 493.70463 -531635.36 0 -531635.36 1385069.6 866.76634 433.21193 181.13562 319.2225 6.2754626 19.834969 94 92160 0 493.62687 -531635.38 0 -531635.38 1385069.6 866.87284 432.93907 181.06871 319.33165 6.2724672 19.822879 95 92160 0 491.9867 -531635.44 0 -531635.44 1385069.6 865.24101 431.06745 179.65164 318.93124 6.2497942 19.640512 96 92160 0 490.22052 -531635.5 0 -531635.5 1385069.6 862.63764 429.19353 178.83041 318.20782 6.1060501 19.934374 97 92160 0 488.57406 -531635.55 0 -531635.55 1385069.6 859.97931 428.02464 177.71823 318.10192 6.10127 20.266926 98 92160 0 488.09262 -531635.64 0 -531635.64 1385069.6 859.86275 428.01359 176.4015 319.11263 6.1756091 20.088633 99 92160 0 488.48413 -531635.69 0 -531635.69 1385069.6 861.16967 428.16063 176.12208 319.99808 6.2495058 20.06228 100 92160 0 488.25914 -531635.73 0 -531635.73 1385069.6 860.87347 427.61007 176.29387 319.96554 6.3731779 20.260172 101 92160 0 487.52343 -531635.74 0 -531635.74 1385069.6 859.7212 426.85072 175.99838 319.6188 6.4159464 20.288223 102 92160 0 486.84483 -531635.75 0 -531635.75 1385069.6 858.88855 425.98456 175.66138 319.18566 6.3258311 20.164979 103 92160 0 486.97994 -531635.76 0 -531635.76 1385069.6 859.20516 426.07236 175.66231 319.3168 6.2670336 20.017459 104 92160 0 487.07856 -531635.76 0 -531635.76 1385069.6 859.31838 426.27835 175.63895 319.46758 6.2218508 19.978409 105 92160 0 486.89294 -531635.77 0 -531635.77 1385069.6 859.11843 425.91368 175.6467 319.39454 6.2191564 19.980376 106 92160 0 486.68768 -531635.77 0 -531635.77 1385069.6 858.91678 425.46194 175.68432 319.33969 6.1569215 19.933108 107 92160 0 486.71518 -531635.78 0 -531635.78 1385069.6 859.00645 425.55932 175.57976 319.44023 6.0919665 19.875594 108 92160 0 486.61694 -531635.78 0 -531635.78 1385069.6 858.8925 425.58082 175.3775 319.46485 6.0703072 19.837263 109 92160 0 486.42843 -531635.78 0 -531635.78 1385069.6 858.47737 425.52903 175.27888 319.40667 6.0690053 19.82731 110 92160 0 486.18208 -531635.78 0 -531635.78 1385069.6 858.02819 425.34883 175.16922 319.31727 6.0960611 19.861282 111 92160 0 486.31382 -531635.79 0 -531635.79 1385069.6 858.49861 425.24147 175.20138 319.35017 6.1400695 19.929551 112 92160 0 486.53565 -531635.79 0 -531635.79 1385069.6 858.80902 425.37067 175.42727 319.48634 6.1744645 19.969442 113 92160 0 486.52146 -531635.79 0 -531635.79 1385069.6 858.56113 425.56344 175.43982 319.66354 6.1689967 19.947837 114 92160 0 485.81301 -531635.8 0 -531635.8 1385069.6 857.90225 424.67824 174.85854 319.39086 6.1468241 19.943682 115 92160 0 485.12149 -531635.81 0 -531635.81 1385069.6 857.10421 423.71671 174.54357 319.12475 6.1291158 19.924678 116 92160 0 485.29767 -531635.81 0 -531635.81 1385069.6 857.09958 424.01913 174.77431 319.2949 6.1882404 19.932131 117 92160 0 485.39067 -531635.82 0 -531635.82 1385069.6 857.41627 423.96678 174.78895 319.35935 6.2666227 19.975359 118 92160 0 485.47241 -531635.82 0 -531635.82 1385069.6 857.6818 423.95639 174.77903 319.42853 6.253675 19.971957 119 92160 0 485.45351 -531635.82 0 -531635.82 1385069.6 857.41893 424.16458 174.77704 319.51486 6.1867346 19.899954 120 92160 0 484.56865 -531635.83 0 -531635.83 1385069.6 856.16794 423.35714 174.18086 319.26435 6.1299122 19.806767 121 92160 0 483.49473 -531635.84 0 -531635.84 1385069.6 855.13298 421.94583 173.40539 318.91615 6.0887251 19.811127 122 92160 0 483.52111 -531635.85 0 -531635.85 1385069.6 854.87517 422.45421 173.23393 319.46255 6.0746239 19.777381 123 92160 0 483.02795 -531635.87 0 -531635.87 1385069.6 854.22159 422.09959 172.76267 319.85965 6.1219493 19.693299 124 92160 0 482.47218 -531635.88 0 -531635.88 1385069.6 853.75581 421.40569 172.25505 319.77382 6.0990282 19.709436 125 92160 0 482.50157 -531635.89 0 -531635.89 1385069.6 853.74735 421.40601 172.35135 319.75221 6.1187049 19.743966 126 92160 0 482.43184 -531635.9 0 -531635.9 1385069.6 853.90333 420.93195 172.46026 319.56171 6.1553568 19.776166 127 92160 0 482.66354 -531635.9 0 -531635.9 1385069.6 854.66576 420.80302 172.52185 319.52962 6.245611 19.939164 128 92160 0 482.9328 -531635.91 0 -531635.91 1385069.6 855.14326 420.87774 172.77738 319.53033 6.2886019 20.033062 129 92160 0 482.92941 -531635.91 0 -531635.91 1385069.6 854.95225 420.92018 172.91579 319.52674 6.2529925 19.980938 130 92160 0 482.8841 -531635.91 0 -531635.91 1385069.6 854.86443 420.9341 172.85377 319.54368 6.2197381 19.944342 131 92160 0 482.79924 -531635.91 0 -531635.91 1385069.6 854.79327 420.82841 172.77605 319.49634 6.1972272 19.92652 132 92160 0 482.7416 -531635.92 0 -531635.92 1385069.6 854.79349 420.61378 172.81754 319.41118 6.2209478 19.942041 133 92160 0 482.83859 -531635.92 0 -531635.92 1385069.6 854.93912 420.81036 172.76629 319.4847 6.2203598 19.930008 134 92160 0 483.00035 -531635.92 0 -531635.92 1385069.6 855.06619 421.05581 172.87906 319.6331 6.1308271 19.847084 135 92160 0 482.9844 -531635.93 0 -531635.93 1385069.6 854.9756 421.03021 172.94737 319.60485 6.0724008 19.800662 136 92160 0 482.68487 -531635.93 0 -531635.93 1385069.6 854.76344 420.66717 172.62401 319.40986 6.1479277 19.852577 137 92160 0 482.54242 -531635.93 0 -531635.93 1385069.6 854.62687 420.40503 172.59537 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319.54822 6.1431329 19.885382 164 92160 0 481.8648 -531635.99 0 -531635.99 1385069.6 854.16956 419.46355 171.96129 319.53316 6.1737348 19.937972 165 92160 0 481.56844 -531635.99 0 -531635.99 1385069.6 854.01788 418.96327 171.72417 319.3624 6.2305902 19.996441 166 92160 0 481.49527 -531636 0 -531636 1385069.6 853.81138 418.95056 171.72388 319.36117 6.2657373 19.987276 167 92160 0 481.58203 -531636 0 -531636 1385069.6 853.84394 419.11965 171.78252 319.4554 6.2530851 19.946392 168 92160 0 481.64485 -531636 0 -531636 1385069.6 854.00991 419.15254 171.77208 319.49315 6.2273468 19.949838 169 92160 0 481.66643 -531636 0 -531636 1385069.6 853.95574 419.20131 171.84223 319.49761 6.2088199 19.937047 170 92160 0 481.44562 -531636 0 -531636 1385069.6 853.82052 418.81306 171.70327 319.37037 6.1648135 19.906478 171 92160 0 481.23191 -531636 0 -531636 1385069.6 853.74316 418.44366 171.5089 319.27395 6.1007596 19.870296 172 92160 0 481.45764 -531636.01 0 -531636.01 1385069.6 853.81649 418.84965 171.70679 319.41793 6.1161776 19.871237 173 92160 0 481.64497 -531636.01 0 -531636.01 1385069.6 853.93821 419.10609 171.89059 319.59098 6.2183874 19.886631 174 92160 0 481.3151 -531636.01 0 -531636.01 1385069.6 854.04959 418.46783 171.42789 319.50411 6.3108543 19.950425 175 92160 0 481.3 -531636.02 0 -531636.02 1385069.6 853.97323 418.5279 171.39888 319.51119 6.325642 20.004977 176 92160 0 481.31905 -531636.02 0 -531636.02 1385069.6 853.61792 418.71547 171.62377 319.53509 6.2487585 19.95392 177 92160 0 481.14439 -531636.02 0 -531636.02 1385069.6 853.41318 418.59284 171.42717 319.49857 6.1692833 19.925019 178 92160 0 481.06354 -531636.02 0 -531636.02 1385069.6 853.52847 418.40097 171.26118 319.43901 6.1600517 19.9398 179 92160 0 481.12804 -531636.02 0 -531636.02 1385069.6 853.6551 418.28717 171.44185 319.41212 6.1689131 19.92452 180 92160 0 481.10563 -531636.02 0 -531636.02 1385069.6 853.62746 418.30446 171.38498 319.44421 6.1956915 19.91261 181 92160 0 481.05804 -531636.03 0 -531636.03 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0 472.08421 -531636.3 0 -531636.3 1385069.6 845.73086 406.34178 164.18 319.80268 6.3058101 19.892625 191 92160 0 471.60686 -531636.31 0 -531636.31 1385069.6 845.42151 405.79013 163.60894 319.70975 6.2697749 19.847367 192 92160 0 472.27665 -531636.32 0 -531636.32 1385069.6 846.07807 406.55567 164.1962 320.03374 6.3177647 19.917697 193 92160 0 472.46974 -531636.32 0 -531636.32 1385069.6 846.42406 406.7755 164.20966 320.19187 6.3273156 19.954612 194 92160 0 472.32766 -531636.32 0 -531636.32 1385069.6 846.39626 406.56818 164.01853 320.14732 6.3445777 19.971194 195 92160 0 472.42023 -531636.32 0 -531636.32 1385069.6 846.41675 406.6127 164.23123 320.15021 6.3581572 19.995986 196 92160 0 472.42666 -531636.33 0 -531636.33 1385069.6 846.51411 406.5774 164.18848 320.1791 6.3325431 20.019829 197 92160 0 472.32316 -531636.33 0 -531636.33 1385069.6 846.49947 406.49429 163.97572 320.1773 6.3213823 20.013132 198 92160 0 472.39553 -531636.33 0 -531636.33 1385069.6 846.45304 406.6633 164.07026 320.2153 6.3063619 19.994926 199 92160 0 472.44336 -531636.33 0 -531636.33 1385069.6 846.48011 406.77161 164.07837 320.24333 6.2682366 19.968622 200 92160 0 472.35767 -531636.33 0 -531636.33 1385069.6 846.48316 406.5878 164.00203 320.16719 6.2648851 19.941531 201 92160 0 472.37428 -531636.33 0 -531636.33 1385069.6 846.45217 406.62565 164.04503 320.19217 6.242491 19.924887 202 92160 0 472.38655 -531636.33 0 -531636.33 1385069.6 846.49393 406.64485 164.02087 320.20971 6.2312082 19.938147 203 92160 0 472.3944 -531636.33 0 -531636.33 1385069.6 846.59484 406.61808 163.97028 320.24449 6.2306564 19.966694 204 92160 0 472.40349 -531636.33 0 -531636.33 1385069.6 846.63235 406.62218 163.95594 320.26741 6.2306907 19.991211 205 92160 0 472.39447 -531636.33 0 -531636.33 1385069.6 846.56576 406.64191 163.97574 320.25856 6.2309044 19.988616 206 92160 0 472.36057 -531636.33 0 -531636.33 1385069.6 846.49592 406.61813 163.96767 320.24351 6.2311953 19.974526 207 92160 0 472.34216 -531636.33 0 -531636.33 1385069.6 846.51203 406.5708 163.94367 320.2257 6.2245997 19.961656 208 92160 0 472.37168 -531636.33 0 -531636.33 1385069.6 846.52139 406.62013 163.97353 320.23648 6.2193225 19.956339 209 92160 0 472.39684 -531636.33 0 -531636.33 1385069.6 846.52644 406.65646 164.00762 320.25165 6.2073567 19.934872 210 92160 0 472.38244 -531636.33 0 -531636.33 1385069.6 846.60555 406.58476 163.95701 320.24152 6.1763227 19.907746 211 92160 0 472.37865 -531636.33 0 -531636.33 1385069.6 846.57296 406.56235 164.00064 320.24176 6.1623829 19.88419 212 92160 0 472.09778 -531636.34 0 -531636.34 1385069.6 846.42359 406.13482 163.73494 320.2034 6.0913408 19.847552 213 92160 0 471.63929 -531636.34 0 -531636.34 1385069.6 846.29063 405.48843 163.13881 320.20076 6.0349204 19.929035 214 92160 0 471.63348 -531636.35 0 -531636.35 1385069.6 846.28689 405.46834 163.14522 320.3628 6.0166076 19.995366 215 92160 0 471.58058 -531636.35 0 -531636.35 1385069.6 846.32156 405.3214 163.09876 320.37767 5.9978313 19.959801 216 92160 0 471.57535 -531636.35 0 -531636.35 1385069.6 846.54864 405.21104 162.96637 320.38998 6.1021132 19.975045 217 92160 0 471.63402 -531636.35 0 -531636.35 1385069.6 846.61398 405.14151 163.14659 320.38837 6.0791855 19.876534 218 92160 0 471.51933 -531636.36 0 -531636.36 1385069.6 846.45578 404.99265 163.10956 320.34856 6.0195556 19.824718 219 92160 0 471.40113 -531636.36 0 -531636.36 1385069.6 846.37471 404.8693 162.9594 320.3224 6.0285672 19.866379 220 92160 0 471.3335 -531636.36 0 -531636.36 1385069.6 846.26311 404.79136 162.94602 320.30597 6.0116707 19.87692 221 92160 0 471.31261 -531636.36 0 -531636.36 1385069.6 846.23936 404.7794 162.91908 320.33615 6.072183 19.919915 222 92160 0 471.27757 -531636.36 0 -531636.36 1385069.6 846.234 404.71447 162.88423 320.34071 6.1502946 19.986313 223 92160 0 471.23725 -531636.36 0 -531636.36 1385069.6 846.20771 404.62798 162.87606 320.31212 6.1463606 19.988997 224 92160 0 471.19872 -531636.36 0 -531636.36 1385069.6 846.15025 404.58605 162.85986 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398.75554 159.33246 320.92963 6.2139238 19.961041 529 92160 0 467.40687 -531636.41 0 -531636.41 1385069.6 844.17967 398.73994 159.301 320.94544 6.2047584 19.956293 530 92160 0 467.36364 -531636.41 0 -531636.41 1385069.6 844.15093 398.6806 159.2594 320.94219 6.2004373 19.955473 531 92160 0 467.3539 -531636.41 0 -531636.41 1385069.6 844.14288 398.66793 159.2509 320.94757 6.1990643 19.956354 532 92160 0 467.35818 -531636.42 0 -531636.42 1385069.6 844.14551 398.68328 159.24575 320.95914 6.2055943 19.96325 533 92160 0 467.34815 -531636.42 0 -531636.42 1385069.6 844.14111 398.65999 159.24334 320.95793 6.2099735 19.967618 534 92160 0 467.34553 -531636.42 0 -531636.42 1385069.6 844.14353 398.65212 159.24095 320.95523 6.2086793 19.968294 535 92160 0 467.34191 -531636.42 0 -531636.42 1385069.6 844.13964 398.65056 159.23552 320.95395 6.2075289 19.969497 536 92160 0 467.33699 -531636.42 0 -531636.42 1385069.6 844.13075 398.64247 159.23776 320.94928 6.2066472 19.967273 537 92160 0 467.34211 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321.05623 6.2136166 19.971405 667 92160 0 466.94338 -531636.42 0 -531636.42 1385069.6 843.88728 398.08951 158.85335 321.05666 6.2128393 19.9713 668 92160 0 466.94172 -531636.42 0 -531636.42 1385069.6 843.88363 398.08945 158.85208 321.05775 6.2124247 19.970698 669 92160 0 466.94122 -531636.42 0 -531636.42 1385069.6 843.88248 398.0898 158.85136 321.05831 6.2136293 19.971649 670 92160 0 466.9415 -531636.42 0 -531636.42 1385069.6 843.88362 398.08962 158.85128 321.0582 6.213991 19.972024 671 92160 0 466.94165 -531636.42 0 -531636.42 1385069.6 843.88496 398.08849 158.8515 321.05777 6.2129692 19.971105 672 92160 0 466.94184 -531636.42 0 -531636.42 1385069.6 843.88546 398.08828 158.85177 321.05766 6.2135754 19.971635 673 92160 0 466.94273 -531636.42 0 -531636.42 1385069.6 843.88783 398.08749 158.85286 321.05755 6.2132843 19.971097 674 92160 0 466.94397 -531636.42 0 -531636.42 1385069.6 843.89198 398.08674 158.85318 321.05743 6.2138134 19.971193 675 92160 0 466.9451 -531636.42 0 -531636.42 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321.06088 6.2140753 19.971197 693 92160 0 466.9327 -531636.42 0 -531636.42 1385069.6 843.88331 398.07206 158.84274 321.06076 6.2139806 19.971445 694 92160 0 466.93149 -531636.42 0 -531636.42 1385069.6 843.88247 398.07065 158.84134 321.06101 6.2135495 19.97143 695 92160 0 466.92983 -531636.42 0 -531636.42 1385069.6 843.88026 398.06924 158.83999 321.06098 6.2130802 19.971315 696 92160 0 466.92671 -531636.42 0 -531636.42 1385069.6 843.87362 398.06881 158.8377 321.06211 6.2135831 19.971561 697 92160 0 466.9251 -531636.42 0 -531636.42 1385069.6 843.87246 398.06763 158.83521 321.06327 6.2142014 19.971996 698 92160 0 466.92501 -531636.42 0 -531636.42 1385069.6 843.87394 398.06623 158.83485 321.06279 6.2139046 19.971778 699 92160 0 466.92348 -531636.42 0 -531636.42 1385069.6 843.87377 398.06318 158.83349 321.0627 6.213256 19.971201 700 92160 0 466.92212 -531636.42 0 -531636.42 1385069.6 843.87218 398.06103 158.83315 321.06228 6.2130669 19.970864 701 92160 0 466.92331 -531636.42 0 -531636.42 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321.06557 6.2132188 19.971098 719 92160 0 466.91298 -531636.42 0 -531636.42 1385069.6 843.87257 398.04333 158.82304 321.06502 6.21278 19.970813 720 92160 0 466.91285 -531636.42 0 -531636.42 1385069.6 843.87185 398.0433 158.8234 321.0649 6.2128689 19.970768 721 92160 0 466.91322 -531636.42 0 -531636.42 1385069.6 843.87095 398.045 158.8237 321.06607 6.2135639 19.971064 722 92160 0 466.91392 -531636.42 0 -531636.42 1385069.6 843.8725 398.04539 158.82387 321.06639 6.2138774 19.971252 723 92160 0 466.91261 -531636.42 0 -531636.42 1385069.6 843.87038 398.04475 158.82271 321.06687 6.2138958 19.971308 724 92160 0 466.90985 -531636.42 0 -531636.42 1385069.6 843.86622 398.04279 158.82055 321.0669 6.2144673 19.972108 725 92160 0 466.90832 -531636.42 0 -531636.42 1385069.6 843.86432 398.04157 158.81907 321.06714 6.2145473 19.972363 726 92160 0 466.9078 -531636.42 0 -531636.42 1385069.6 843.8644 398.04097 158.81802 321.06776 6.2139737 19.971935 727 92160 0 466.90692 -531636.42 0 -531636.42 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397.93464 158.7489 321.08932 6.2143388 19.971835 771 92160 0 466.83733 -531636.42 0 -531636.42 1385069.6 843.83031 397.93343 158.74824 321.08906 6.2141486 19.971741 772 92160 0 466.83547 -531636.42 0 -531636.42 1385069.6 843.82706 397.93276 158.74659 321.08868 6.2139572 19.971754 773 92160 0 466.83471 -531636.42 0 -531636.42 1385069.6 843.82539 397.93296 158.74578 321.08892 6.2138823 19.971702 774 92160 0 466.83462 -531636.42 0 -531636.42 1385069.6 843.82452 397.9336 158.74575 321.08926 6.213937 19.971652 775 92160 0 466.83438 -531636.42 0 -531636.42 1385069.6 843.82354 397.93437 158.74522 321.0896 6.2140834 19.971775 776 92160 0 466.83402 -531636.42 0 -531636.42 1385069.6 843.82273 397.93447 158.74485 321.08978 6.2140432 19.971717 777 92160 0 466.83361 -531636.42 0 -531636.42 1385069.6 843.82199 397.93416 158.74469 321.08969 6.2139708 19.971637 778 92160 0 466.83266 -531636.42 0 -531636.42 1385069.6 843.82061 397.93393 158.74345 321.08975 6.2140496 19.971833 779 92160 0 466.82988 -531636.42 0 -531636.42 1385069.6 843.81607 397.93241 158.74117 321.08992 6.2134193 19.971261 780 92160 0 466.82428 -531636.42 0 -531636.42 1385069.6 843.8043 397.93222 158.73634 321.09124 6.2135861 19.971186 781 92160 0 466.82314 -531636.42 0 -531636.42 1385069.6 843.80199 397.93251 158.73492 321.09186 6.2137211 19.971283 782 92160 0 466.82387 -531636.42 0 -531636.42 1385069.6 843.80399 397.93268 158.73493 321.09213 6.2137327 19.971363 783 92160 0 466.8255 -531636.42 0 -531636.42 1385069.6 843.80793 397.93207 158.7365 321.0918 6.2140024 19.971562 784 92160 0 466.82765 -531636.42 0 -531636.42 1385069.6 843.81335 397.93139 158.73821 321.09203 6.2142034 19.971654 785 92160 0 466.82875 -531636.42 0 -531636.42 1385069.6 843.8163 397.93025 158.73968 321.09152 6.2142259 19.971641 786 92160 0 466.82885 -531636.42 0 -531636.42 1385069.6 843.81895 397.92769 158.73991 321.09071 6.2140433 19.971696 787 92160 0 466.82962 -531636.42 0 -531636.42 1385069.6 843.82201 397.92601 158.74085 321.09016 6.2135939 19.971474 788 92160 0 466.82984 -531636.42 0 -531636.42 1385069.6 843.82317 397.92512 158.74121 321.09006 6.2136734 19.971548 789 92160 0 466.82971 -531636.42 0 -531636.42 1385069.6 843.82255 397.92565 158.74093 321.09072 6.2144272 19.971994 790 92160 0 466.82999 -531636.42 0 -531636.42 1385069.6 843.82198 397.92713 158.74086 321.09128 6.2143998 19.971896 791 92160 0 466.82979 -531636.42 0 -531636.42 1385069.6 843.82148 397.92724 158.74064 321.0913 6.2142567 19.971802 792 92160 0 466.8285 -531636.42 0 -531636.42 1385069.6 843.81963 397.92611 158.73975 321.09087 6.2140598 19.97174 793 92160 0 466.82862 -531636.42 0 -531636.42 1385069.6 843.81941 397.92687 158.73957 321.0912 6.2139411 19.971636 794 92160 0 466.82862 -531636.42 0 -531636.42 1385069.6 843.81941 397.92687 158.73957 321.0912 6.2139411 19.971636 Loop time of 2646.89 on 2 procs for 794 steps with 92160 atoms 99.6% CPU use with 2 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = linesearch alpha is zero Energy initial, next-to-last, final = -531623.872091092 -531636.416289761 -531636.416289761 Force two-norm initial, final = 14.552611 0.0010705077 Force max component initial, final = 1.0036725 3.881686e-05 Final line search alpha, max atom move = 0.0078125 3.0325672e-07 Iterations, force evaluations = 794 3754 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 2580.9 | 2610.9 | 2640.9 | 58.7 | 98.64 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 3.0676 | 33.103 | 63.138 | 522.0 | 1.25 Output | 0.34846 | 0.35965 | 0.37083 | 1.9 | 0.01 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 2.508 | | | 0.09 Nlocal: 46080 ave 46080 max 46080 min Histogram: 2 0 0 0 0 0 0 0 0 0 Nghost: 21000.5 ave 21003 max 20998 min Histogram: 1 0 0 0 0 0 0 0 0 1 Neighs: 0 ave 0 max 0 min Histogram: 2 0 0 0 0 0 0 0 0 0 FullNghs: 1.93526e+06 ave 1.9353e+06 max 1.93523e+06 min Histogram: 1 0 0 0 0 0 0 0 0 1 Total # of neighbors = 3870528 Ave neighs/atom = 41.997917 Neighbor list builds = 0 Dangerous builds = 0 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 = 5.3 ghost atom cutoff = 5.3 binsize = 2.65, bins = 55 82 17 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, ghost pair build: full/bin/ghost stencil: full/ghost/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 794 WARNING: Energy due to 6 extra global DOFs will be included in minimizer energies (src/min.cpp:225) Per MPI rank memory allocation (min/avg/max) = 31.28 | 31.28 | 31.28 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 794 92160 0 466.82862 -531636.42 0 -531636.42 1385069.6 843.81941 397.92687 158.73957 321.0912 6.2139412 19.971636 795 92160 0 -3.593284 -531636.48 0 -531636.48 1385299.5 305.59694 -57.433193 -258.9436 324.55325 -9.4774022 -3.2378867 796 92160 0 5.9465903 -531636.52 0 -531636.52 1385294.6 163.99214 -15.825445 -130.32693 327.64819 41.434762 18.357792 797 92160 0 -4.6136776 -531636.54 0 -531636.54 1385299.6 99.843873 -16.423071 -97.261834 319.42457 -102.00778 -51.773131 798 92160 0 -15.991932 -531636.56 0 -531636.56 1385305 -9.8165284 -10.411659 -27.747609 300.24875 -121.97948 -56.570982 799 92160 0 -5.9206215 -531636.57 0 -531636.57 1385300 -11.840186 0.85934839 -6.7810268 290.62616 45.541732 27.116079 800 92160 0 23.99988 -531636.58 0 -531636.58 1385285.3 9.8705958 29.242096 32.886949 252.67309 96.421919 41.522558 801 92160 0 18.641069 -531636.59 0 -531636.59 1385287.9 5.8859921 22.499817 27.537398 232.84845 -10.418754 -13.508041 802 92160 0 -54.150032 -531636.6 0 -531636.6 1385323.4 -49.679027 -54.311872 -58.459196 189.01382 1.8727639 18.783586 803 92160 0 99.693399 -531636.61 0 -531636.61 1385248 115.98269 97.616876 85.480627 146.97392 -18.787077 -31.544523 804 92160 0 110.15809 -531636.62 0 -531636.62 1385242.8 134.22505 106.98548 89.263738 105.23039 13.949223 -26.192256 805 92160 0 -2.8276891 -531636.62 0 -531636.62 1385298.1 19.067775 -5.4680437 -22.082799 95.417228 -1.0192459 -6.6598782 806 92160 0 16.092065 -531636.63 0 -531636.63 1385288.8 16.76336 17.159168 14.353667 79.585352 21.632072 39.781713 807 92160 0 16.539003 -531636.63 0 -531636.63 1385288.5 -0.43433428 20.618787 29.432557 63.35026 -6.9185762 31.211247 808 92160 0 -0.73991592 -531636.63 0 -531636.63 1385296.9 -15.079066 2.6347428 10.224575 59.597993 -2.9662619 3.0573417 809 92160 0 1.2280611 -531636.63 0 -531636.63 1385296 -4.5638053 2.6663397 5.5816489 52.861157 9.6801836 -0.67177672 810 92160 0 0.81338975 -531636.63 0 -531636.63 1385296.2 2.1685531 0.7320305 -0.46041436 46.422534 -5.0718438 -8.2585901 811 92160 0 -1.7320926 -531636.63 0 -531636.63 1385297.4 9.0886898 -3.7332754 -10.551692 34.324328 3.2461838 7.867082 812 92160 0 1.8714218 -531636.63 0 -531636.63 1385295.6 20.098599 -1.2386161 -13.245718 12.804366 -17.298028 -7.3542535 813 92160 0 2.9842721 -531636.63 0 -531636.63 1385295 23.616433 -0.43763001 -14.225987 2.2763058 -15.653384 -9.2260746 814 92160 0 1.9509486 -531636.63 0 -531636.63 1385295.5 21.189571 -1.2204463 -14.116279 2.5054691 -5.0652933 -3.4057081 815 92160 0 -0.13516021 -531636.63 0 -531636.63 1385296.6 15.240189 -2.5871499 -13.05852 3.1902339 5.6357788 2.8332164 816 92160 0 -2.9096083 -531636.63 0 -531636.63 1385297.9 3.2279619 -3.6268663 -8.3299206 4.8631213 5.8516264 3.9755948 817 92160 0 -1.5690409 -531636.63 0 -531636.63 1385297.2 4.0878268 -2.213034 -6.5819156 4.9168838 0.50965757 0.82989522 818 92160 0 1.5932829 -531636.63 0 -531636.63 1385295.7 5.2569566 1.2232031 -1.7003109 5.0533747 -1.7255588 -1.3038134 819 92160 0 2.3148091 -531636.63 0 -531636.63 1385295.3 3.5156074 2.2691687 1.1596513 5.1300152 0.56476902 -0.51550568 820 92160 0 -0.23998373 -531636.63 0 -531636.63 1385296.6 0.29603869 -0.21219039 -0.80379949 4.9973843 -0.056712959 -0.12656899 821 92160 0 2.4567491 -531636.63 0 -531636.63 1385295.3 1.9444664 2.4163766 3.0094042 2.7281428 1.7360847 2.3472571 822 92160 0 2.3417394 -531636.63 0 -531636.63 1385295.3 1.4075764 2.2736242 3.3440176 1.5802428 0.47931195 1.7341886 823 92160 0 0.96239285 -531636.63 0 -531636.63 1385296 0.14014377 0.90296086 1.8440739 1.5306435 -0.26486994 0.6101641 824 92160 0 -0.64888721 -531636.63 0 -531636.63 1385296.8 -1.2048078 -0.68702464 -0.054829174 1.3902115 0.31160555 -0.14238512 825 92160 0 -0.68525214 -531636.63 0 -531636.63 1385296.8 -1.1237612 -0.7147606 -0.21723463 1.3240577 0.1748437 -0.31908076 826 92160 0 -0.4323124 -531636.63 0 -531636.63 1385296.7 -0.83577533 -0.45955924 -0.0016026443 1.3000513 0.083593072 -0.23857071 827 92160 0 -0.22434489 -531636.63 0 -531636.63 1385296.6 -0.58601005 -0.2488587 0.16183409 1.2700518 0.035928714 -0.14849085 828 92160 0 0.21741026 -531636.63 0 -531636.63 1385296.4 0.0097707664 0.20299585 0.43946416 1.1536582 -0.02801434 0.097635459 829 92160 0 0.21741026 -531636.63 0 -531636.63 1385296.4 0.0097707664 0.20299585 0.43946416 1.1536582 -0.02801434 0.097635459 Loop time of 124.513 on 2 procs for 35 steps with 92160 atoms 99.4% CPU use with 2 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = linesearch alpha is zero Energy initial, next-to-last, final = -531636.416289757 -531636.63144048 -531636.63144048 Force two-norm initial, final = 840.83674 0.84238764 Force max component initial, final = 729.47556 0.66127014 Final line search alpha, max atom move = 1.3614394e-08 9.002792e-09 Iterations, force evaluations = 35 174 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 120.75 | 122.26 | 123.78 | 13.7 | 98.19 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.16976 | 1.6873 | 3.2049 | 116.8 | 1.36 Output | 0.013344 | 0.013777 | 0.014211 | 0.4 | 0.01 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.5478 | | | 0.44 Nlocal: 46080 ave 46080 max 46080 min Histogram: 2 0 0 0 0 0 0 0 0 0 Nghost: 21014.5 ave 21018 max 21011 min Histogram: 1 0 0 0 0 0 0 0 0 1 Neighs: 0 ave 0 max 0 min Histogram: 2 0 0 0 0 0 0 0 0 0 FullNghs: 1.9353e+06 ave 1.9353e+06 max 1.9353e+06 min Histogram: 2 0 0 0 0 0 0 0 0 0 Total # of neighbors = 3870592 Ave neighs/atom = 41.998611 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:46:13