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 (259.08388 386.74994 77.558888) with tilt (0 -0.41536339 0) 2 by 2 by 1 MPI processor grid reading atoms ... 517104 atoms reading velocities ... 517104 velocities read_data CPU = 2.211 seconds Changing box ... triclinic box = (0 0 0) to (259.08388 386.74994 77.558888) with tilt (0 -0.41536339 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_534993486058_001#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 = 6.5 ghost atom cutoff = 6.5 binsize = 3.25, bins = 80 119 24 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off 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) = 84.8 | 85.04 | 85.27 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 0 517104 0 206.68136 -2983464.7 0 -2983464.7 7771452.7 340.67415 173.63987 105.73006 141.28062 -8.5287876 9.4534873 1 517104 0 207.92426 -2983470.2 0 -2983470.2 7771452.7 334.46785 174.77525 114.5297 129.74971 -7.8540998 10.174294 2 517104 0 204.0451 -2983474.3 0 -2983474.3 7771452.7 328.29847 169.6895 114.14733 127.53007 -8.4954741 12.333509 3 517104 0 203.1244 -2983476.5 0 -2983476.5 7771452.7 324.8578 169.1256 115.38981 123.06065 -7.9150046 12.81383 4 517104 0 201.72666 -2983477.9 0 -2983477.9 7771452.7 323.77459 167.85824 113.54715 123.40036 -7.3595679 12.768437 5 517104 0 201.03192 -2983478.7 0 -2983478.7 7771452.7 322.73822 167.37041 112.98712 123.26718 -7.3767449 13.079767 6 517104 0 200.40303 -2983479.7 0 -2983479.7 7771452.7 320.65983 166.92954 113.61971 121.66534 -7.1193177 13.449618 7 517104 0 199.71793 -2983480.3 0 -2983480.3 7771452.7 318.71781 166.68149 113.75451 120.12837 -7.1481761 13.846004 8 517104 0 199.16736 -2983480.6 0 -2983480.6 7771452.7 318.5921 166.08595 112.82402 120.81976 -7.2670881 13.854406 9 517104 0 198.7997 -2983480.8 0 -2983480.8 7771452.7 318.22531 165.65624 112.51755 120.78542 -7.0487323 13.622258 10 517104 0 198.52124 -2983481 0 -2983481 7771452.7 317.9347 165.29519 112.33382 120.80763 -7.1728344 13.643491 11 517104 0 198.19875 -2983481.3 0 -2983481.3 7771452.7 317.52349 164.84422 112.22855 120.73069 -7.079125 13.576317 12 517104 0 197.4827 -2983481.6 0 -2983481.6 7771452.7 317.1049 164.07053 111.27268 121.13471 -7.1692682 13.62351 13 517104 0 196.97271 -2983481.7 0 -2983481.7 7771452.7 316.82281 163.502 110.59334 121.44024 -7.216132 13.671436 14 517104 0 196.78916 -2983481.8 0 -2983481.8 7771452.7 316.40445 163.27135 110.69168 121.13725 -7.1399394 13.645082 15 517104 0 196.66484 -2983482 0 -2983482 7771452.7 315.56811 163.23908 111.18732 120.15717 -7.0849918 13.669794 16 517104 0 196.42778 -2983482.1 0 -2983482.1 7771452.7 315.39912 163.03581 110.84841 120.33108 -7.1330003 13.745931 17 517104 0 196.4676 -2983482.1 0 -2983482.1 7771452.7 315.42663 163.11739 110.85879 120.28688 -7.0474305 13.721935 18 517104 0 196.2588 -2983482.2 0 -2983482.2 7771452.7 315.41883 162.95954 110.39804 120.63442 -7.1296626 13.839961 19 517104 0 195.98179 -2983482.3 0 -2983482.3 7771452.7 314.84279 162.6863 110.4163 120.32308 -7.2384382 13.927625 20 517104 0 195.791 -2983482.3 0 -2983482.3 7771452.7 314.16602 162.49112 110.71587 119.62798 -7.074952 13.831332 21 517104 0 195.18297 -2983482.5 0 -2983482.5 7771452.7 313.45055 161.89204 110.20633 119.46618 -7.0413227 13.800666 22 517104 0 194.93299 -2983482.6 0 -2983482.6 7771452.7 313.40523 161.66138 109.73236 119.76947 -7.1904559 13.902309 23 517104 0 194.88817 -2983482.7 0 -2983482.7 7771452.7 313.49754 161.61155 109.5554 119.94706 -7.1776632 13.955379 24 517104 0 194.69799 -2983482.8 0 -2983482.8 7771452.7 313.44838 161.36523 109.28036 120.17688 -7.2123385 13.986126 25 517104 0 194.61221 -2983482.8 0 -2983482.8 7771452.7 313.26384 161.25193 109.32085 120.00828 -7.1628802 13.91334 26 517104 0 194.32189 -2983482.9 0 -2983482.9 7771452.7 313.0538 160.89025 109.02163 120.07183 -7.1724828 13.875698 27 517104 0 194.23454 -2983482.9 0 -2983482.9 7771452.7 312.91215 160.78765 109.00381 119.93628 -7.1752874 13.862066 28 517104 0 194.24428 -2983482.9 0 -2983482.9 7771452.7 312.88235 160.8179 109.03259 119.89072 -7.1820096 13.883501 29 517104 0 194.18234 -2983482.9 0 -2983482.9 7771452.7 312.89208 160.75534 108.89961 120.01825 -7.2017304 13.918123 30 517104 0 194.21084 -2983483 0 -2983483 7771452.7 312.86061 160.81561 108.95631 119.94378 -7.1846639 13.929384 31 517104 0 194.08318 -2983483 0 -2983483 7771452.7 312.79865 160.71528 108.73561 120.09488 -7.2157432 13.988405 32 517104 0 193.96286 -2983483 0 -2983483 7771452.7 312.38526 160.66249 108.84084 119.7156 -7.1765599 13.995594 33 517104 0 193.80855 -2983483 0 -2983483 7771452.7 312.2257 160.52147 108.67849 119.73974 -7.2176176 14.029878 34 517104 0 193.64557 -2983483.1 0 -2983483.1 7771452.7 311.99179 160.34643 108.5985 119.56598 -7.2121594 14.010481 35 517104 0 193.30722 -2983483.2 0 -2983483.2 7771452.7 311.88521 159.94205 108.09441 119.88368 -7.2134909 14.011741 36 517104 0 192.96348 -2983483.3 0 -2983483.3 7771452.7 311.75564 159.53457 107.60021 120.11731 -7.1828416 13.95171 37 517104 0 192.81829 -2983483.3 0 -2983483.3 7771452.7 311.66541 159.36965 107.41982 120.16184 -7.238594 13.963793 38 517104 0 192.72761 -2983483.4 0 -2983483.4 7771452.7 311.543 159.26422 107.3756 120.12156 -7.2666866 13.995427 39 517104 0 192.76098 -2983483.4 0 -2983483.4 7771452.7 311.35879 159.33204 107.59211 119.82304 -7.2368496 13.993165 40 517104 0 192.65149 -2983483.4 0 -2983483.4 7771452.7 311.26589 159.23456 107.45401 119.88034 -7.2616284 14.026256 41 517104 0 192.6315 -2983483.4 0 -2983483.4 7771452.7 311.22478 159.2314 107.43833 119.8472 -7.2367972 14.013604 42 517104 0 192.55347 -2983483.5 0 -2983483.5 7771452.7 311.17201 159.16011 107.3283 119.92226 -7.2560034 14.0398 43 517104 0 192.54641 -2983483.5 0 -2983483.5 7771452.7 311.0353 159.18124 107.42269 119.76076 -7.2421804 14.051849 44 517104 0 192.49764 -2983483.5 0 -2983483.5 7771452.7 310.9452 159.15277 107.39495 119.69389 -7.2590047 14.079695 45 517104 0 192.39655 -2983483.5 0 -2983483.5 7771452.7 310.83393 159.08097 107.27475 119.68156 -7.2733558 14.097722 46 517104 0 192.12016 -2983483.5 0 -2983483.5 7771452.7 310.47101 158.81791 107.07157 119.52185 -7.1634994 14.047122 47 517104 0 191.06742 -2983483.7 0 -2983483.7 7771452.7 309.51991 157.80855 105.87378 119.58218 -7.2382494 14.130924 48 517104 0 190.90414 -2983483.7 0 -2983483.7 7771452.7 309.25394 157.67452 105.78395 119.40077 -7.2768223 14.177978 49 517104 0 190.83194 -2983483.8 0 -2983483.8 7771452.7 309.28562 157.57101 105.6392 119.54997 -7.3236029 14.231738 50 517104 0 190.84031 -2983483.8 0 -2983483.8 7771452.7 309.30439 157.56855 105.64799 119.56172 -7.3492852 14.240836 51 517104 0 190.78662 -2983483.8 0 -2983483.8 7771452.7 309.25407 157.5078 105.59799 119.56959 -7.336175 14.214966 52 517104 0 190.7428 -2983483.8 0 -2983483.8 7771452.7 309.19562 157.44662 105.58615 119.53412 -7.296276 14.180846 53 517104 0 190.7373 -2983483.8 0 -2983483.8 7771452.7 309.18845 157.43598 105.58747 119.52644 -7.3001555 14.157238 54 517104 0 190.69467 -2983483.9 0 -2983483.9 7771452.7 309.2849 157.34018 105.45892 119.68871 -7.3119964 14.146263 55 517104 0 190.72958 -2983483.9 0 -2983483.9 7771452.7 309.31451 157.36432 105.50992 119.66479 -7.3079444 14.132986 56 517104 0 190.7459 -2983483.9 0 -2983483.9 7771452.7 309.29954 157.38619 105.55197 119.62846 -7.306568 14.12936 57 517104 0 190.72019 -2983483.9 0 -2983483.9 7771452.7 309.28526 157.36497 105.51035 119.6991 -7.3180226 14.143125 58 517104 0 190.71849 -2983483.9 0 -2983483.9 7771452.7 309.28436 157.36508 105.50605 119.70082 -7.3025733 14.140194 59 517104 0 190.72923 -2983483.9 0 -2983483.9 7771452.7 309.29202 157.38459 105.51108 119.68532 -7.3110356 14.140998 60 517104 0 190.71764 -2983483.9 0 -2983483.9 7771452.7 309.25452 157.37212 105.52626 119.64712 -7.3000962 14.136498 61 517104 0 190.72475 -2983483.9 0 -2983483.9 7771452.7 309.19006 157.3898 105.59441 119.56178 -7.2881768 14.12636 62 517104 0 190.69072 -2983483.9 0 -2983483.9 7771452.7 309.15952 157.3606 105.55204 119.58708 -7.2829205 14.125239 63 517104 0 190.65488 -2983483.9 0 -2983483.9 7771452.7 309.20165 157.31715 105.44583 119.69445 -7.2820886 14.131706 64 517104 0 190.68709 -2983483.9 0 -2983483.9 7771452.7 309.24256 157.35275 105.46597 119.69949 -7.2868092 14.133829 65 517104 0 190.68783 -2983483.9 0 -2983483.9 7771452.7 309.23814 157.35244 105.47291 119.69929 -7.3019948 14.139984 66 517104 0 190.66788 -2983483.9 0 -2983483.9 7771452.7 309.22093 157.32081 105.46189 119.70196 -7.2998575 14.136519 67 517104 0 190.69278 -2983484 0 -2983484 7771452.7 309.23063 157.33229 105.51541 119.64238 -7.2771034 14.104793 68 517104 0 190.67691 -2983484 0 -2983484 7771452.7 309.25276 157.30563 105.47235 119.68007 -7.2825162 14.098445 69 517104 0 190.64664 -2983484 0 -2983484 7771452.7 309.25802 157.27352 105.40838 119.74066 -7.2989471 14.111446 70 517104 0 190.64711 -2983484 0 -2983484 7771452.7 309.24709 157.28574 105.4085 119.73669 -7.3113919 14.12986 71 517104 0 190.63971 -2983484 0 -2983484 7771452.7 309.21969 157.28371 105.41573 119.7079 -7.2987261 14.130945 72 517104 0 190.61784 -2983484 0 -2983484 7771452.7 309.20394 157.26362 105.38596 119.72587 -7.3008519 14.13233 73 517104 0 190.60871 -2983484 0 -2983484 7771452.7 309.17552 157.25771 105.39292 119.70377 -7.2956168 14.127418 74 517104 0 190.56792 -2983484 0 -2983484 7771452.7 309.10898 157.22175 105.37304 119.66692 -7.2841694 14.115531 75 517104 0 190.46028 -2983484 0 -2983484 7771452.7 308.98439 157.13181 105.26464 119.63556 -7.2807524 14.096723 76 517104 0 190.41493 -2983484 0 -2983484 7771452.7 308.94058 157.09504 105.20917 119.63831 -7.2996632 14.104997 77 517104 0 190.37097 -2983484 0 -2983484 7771452.7 308.91261 157.03937 105.16092 119.65694 -7.3277223 14.150639 78 517104 0 190.33107 -2983484.1 0 -2983484.1 7771452.7 308.89594 156.98863 105.10864 119.67235 -7.3318037 14.177744 79 517104 0 190.27268 -2983484.1 0 -2983484.1 7771452.7 308.86457 156.92751 105.02598 119.69274 -7.2968804 14.148089 80 517104 0 190.24415 -2983484.1 0 -2983484.1 7771452.7 308.853 156.8938 104.98565 119.71769 -7.29168 14.140854 81 517104 0 190.234 -2983484.1 0 -2983484.1 7771452.7 308.82908 156.87678 104.99614 119.70162 -7.2949054 14.133661 82 517104 0 190.23496 -2983484.1 0 -2983484.1 7771452.7 308.80853 156.87409 105.02226 119.67069 -7.3053159 14.12909 83 517104 0 190.22933 -2983484.1 0 -2983484.1 7771452.7 308.80924 156.87044 105.00831 119.67513 -7.3110572 14.131489 84 517104 0 190.22514 -2983484.1 0 -2983484.1 7771452.7 308.81767 156.86855 104.98919 119.6873 -7.307605 14.131907 85 517104 0 190.21309 -2983484.1 0 -2983484.1 7771452.7 308.8333 156.85612 104.94986 119.72277 -7.2979194 14.132022 86 517104 0 190.18978 -2983484.1 0 -2983484.1 7771452.7 308.83241 156.82896 104.90798 119.75462 -7.3125762 14.146939 87 517104 0 190.18536 -2983484.1 0 -2983484.1 7771452.7 308.79211 156.82532 104.93865 119.68937 -7.3189041 14.164605 88 517104 0 190.15063 -2983484.1 0 -2983484.1 7771452.7 308.73087 156.79922 104.92181 119.64013 -7.2985243 14.163173 89 517104 0 190.02884 -2983484.1 0 -2983484.1 7771452.7 308.71268 156.68086 104.69299 119.80744 -7.3178431 14.156015 90 517104 0 189.99887 -2983484.1 0 -2983484.1 7771452.7 308.65487 156.65867 104.68307 119.76521 -7.2984699 14.127777 91 517104 0 190.02279 -2983484.1 0 -2983484.1 7771452.7 308.61434 156.67923 104.7748 119.66658 -7.2886328 14.128695 92 517104 0 190.01344 -2983484.1 0 -2983484.1 7771452.7 308.6159 156.66442 104.76 119.68542 -7.306708 14.140635 93 517104 0 190.01484 -2983484.1 0 -2983484.1 7771452.7 308.62754 156.6651 104.75188 119.6965 -7.3082086 14.138359 94 517104 0 190.00283 -2983484.1 0 -2983484.1 7771452.7 308.64629 156.64557 104.71664 119.72749 -7.2972496 14.135292 95 517104 0 189.99125 -2983484.1 0 -2983484.1 7771452.7 308.66784 156.62574 104.68018 119.76314 -7.2978143 14.131988 96 517104 0 189.97847 -2983484.1 0 -2983484.1 7771452.7 308.63777 156.60665 104.69101 119.74161 -7.3123629 14.136934 97 517104 0 189.96738 -2983484.2 0 -2983484.2 7771452.7 308.58258 156.5919 104.72767 119.67712 -7.3118101 14.137993 98 517104 0 189.9216 -2983484.2 0 -2983484.2 7771452.7 308.52025 156.55182 104.69272 119.64928 -7.3090595 14.134877 99 517104 0 189.83174 -2983484.2 0 -2983484.2 7771452.7 308.49875 156.4742 104.52225 119.73869 -7.319151 14.126986 100 517104 0 189.76564 -2983484.2 0 -2983484.2 7771452.7 308.42175 156.41131 104.46385 119.68292 -7.2830806 14.112602 101 517104 0 189.67196 -2983484.2 0 -2983484.2 7771452.7 308.32307 156.30888 104.38393 119.66349 -7.2879194 14.145179 102 517104 0 189.58633 -2983484.2 0 -2983484.2 7771452.7 308.23797 156.22229 104.29873 119.6548 -7.3188259 14.186976 103 517104 0 189.55962 -2983484.2 0 -2983484.2 7771452.7 308.20414 156.20228 104.27244 119.63931 -7.3245496 14.180261 104 517104 0 189.52066 -2983484.2 0 -2983484.2 7771452.7 308.18174 156.17159 104.20866 119.65816 -7.3212689 14.170918 105 517104 0 189.47255 -2983484.3 0 -2983484.3 7771452.7 308.14185 156.12165 104.15416 119.68272 -7.3140297 14.17307 106 517104 0 189.46321 -2983484.3 0 -2983484.3 7771452.7 308.10808 156.11319 104.16835 119.65425 -7.3055862 14.163602 107 517104 0 189.45594 -2983484.3 0 -2983484.3 7771452.7 308.08562 156.10481 104.17739 119.63426 -7.3038827 14.152474 108 517104 0 189.44867 -2983484.3 0 -2983484.3 7771452.7 308.09877 156.09475 104.15251 119.65955 -7.3094764 14.155684 109 517104 0 189.45938 -2983484.3 0 -2983484.3 7771452.7 308.13689 156.10303 104.13823 119.68541 -7.3163141 14.158907 110 517104 0 189.4811 -2983484.3 0 -2983484.3 7771452.7 308.14892 156.12462 104.16974 119.66806 -7.3152546 14.152075 111 517104 0 189.44573 -2983484.3 0 -2983484.3 7771452.7 308.15732 156.07268 104.10718 119.73297 -7.323683 14.152106 112 517104 0 189.428 -2983484.3 0 -2983484.3 7771452.7 308.16222 156.045 104.07679 119.7565 -7.3188009 14.146544 113 517104 0 189.44488 -2983484.3 0 -2983484.3 7771452.7 308.16318 156.06952 104.10194 119.72715 -7.3095544 14.136621 114 517104 0 189.42522 -2983484.3 0 -2983484.3 7771452.7 308.16288 156.05217 104.06061 119.76202 -7.318132 14.141933 115 517104 0 189.4182 -2983484.3 0 -2983484.3 7771452.7 308.13009 156.05164 104.07289 119.73148 -7.3161393 14.142083 116 517104 0 189.41601 -2983484.3 0 -2983484.3 7771452.7 308.10124 156.0534 104.09337 119.69595 -7.3119361 14.141103 117 517104 0 189.39485 -2983484.3 0 -2983484.3 7771452.7 308.09414 156.03142 104.059 119.72019 -7.3158335 14.146435 118 517104 0 189.40209 -2983484.3 0 -2983484.3 7771452.7 308.08282 156.0418 104.08166 119.68768 -7.3052071 14.144023 119 517104 0 189.36366 -2983484.3 0 -2983484.3 7771452.7 308.08447 156.00648 104.00005 119.73911 -7.3195038 14.168519 120 517104 0 189.33807 -2983484.3 0 -2983484.3 7771452.7 308.03806 155.99377 103.98239 119.70348 -7.3281249 14.18973 121 517104 0 189.21914 -2983484.3 0 -2983484.3 7771452.7 307.78604 155.88765 103.98372 119.52612 -7.3001837 14.190875 122 517104 0 189.11255 -2983484.3 0 -2983484.3 7771452.7 307.69855 155.78602 103.85307 119.56059 -7.3074334 14.198642 123 517104 0 189.0812 -2983484.3 0 -2983484.3 7771452.7 307.6999 155.76407 103.77963 119.58191 -7.2994953 14.182609 124 517104 0 189.03467 -2983484.4 0 -2983484.4 7771452.7 307.71406 155.70852 103.68142 119.6293 -7.2954498 14.168011 125 517104 0 188.93521 -2983484.4 0 -2983484.4 7771452.7 307.68429 155.57454 103.54679 119.68206 -7.3169066 14.160761 126 517104 0 188.94385 -2983484.4 0 -2983484.4 7771452.7 307.663 155.5815 103.58706 119.63557 -7.3184868 14.156502 127 517104 0 188.91257 -2983484.4 0 -2983484.4 7771452.7 307.65283 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517104 0 183.11258 -2983485.4 0 -2983485.4 7771452.7 304.12908 148.66094 96.547733 119.52292 -7.3259445 14.218442 666 517104 0 183.07087 -2983485.4 0 -2983485.4 7771452.7 304.12992 148.5951 96.487589 119.52403 -7.3279872 14.218084 667 517104 0 183.05166 -2983485.4 0 -2983485.4 7771452.7 304.13285 148.565 96.457129 119.52815 -7.3291944 14.218319 668 517104 0 183.04272 -2983485.4 0 -2983485.4 7771452.7 304.13356 148.55072 96.443884 119.5287 -7.3280758 14.217965 669 517104 0 183.04081 -2983485.4 0 -2983485.4 7771452.7 304.13231 148.54779 96.442341 119.52765 -7.3270256 14.218052 670 517104 0 183.03929 -2983485.4 0 -2983485.4 7771452.7 304.13124 148.54558 96.441036 119.52733 -7.326416 14.218393 671 517104 0 183.03881 -2983485.4 0 -2983485.4 7771452.7 304.1314 148.54488 96.440141 119.52789 -7.3263223 14.218499 672 517104 0 183.03891 -2983485.4 0 -2983485.4 7771452.7 304.1318 148.54496 96.439984 119.5281 -7.3262097 14.218425 673 517104 0 183.03894 -2983485.4 0 -2983485.4 7771452.7 304.13232 148.5449 96.439595 119.52861 -7.3262437 14.218461 674 517104 0 183.03891 -2983485.4 0 -2983485.4 7771452.7 304.13307 148.54471 96.438955 119.52945 -7.3262638 14.218537 675 517104 0 183.03893 -2983485.4 0 -2983485.4 7771452.7 304.1327 148.54474 96.439352 119.52896 -7.3260904 14.218446 676 517104 0 183.0389 -2983485.4 0 -2983485.4 7771452.7 304.13232 148.54474 96.439632 119.52858 -7.3261139 14.218443 677 517104 0 183.03886 -2983485.4 0 -2983485.4 7771452.7 304.13191 148.54478 96.439885 119.52819 -7.3261948 14.218396 678 517104 0 183.03895 -2983485.4 0 -2983485.4 7771452.7 304.13182 148.545 96.440045 119.52803 -7.3260957 14.218161 679 517104 0 183.03908 -2983485.4 0 -2983485.4 7771452.7 304.13197 148.54524 96.440016 119.52832 -7.3261417 14.218056 680 517104 0 183.03913 -2983485.4 0 -2983485.4 7771452.7 304.13187 148.54538 96.440149 119.52874 -7.3263212 14.218147 681 517104 0 183.03914 -2983485.4 0 -2983485.4 7771452.7 304.13164 148.54536 96.440407 119.52855 -7.3261254 14.218058 682 517104 0 183.03897 -2983485.4 0 -2983485.4 7771452.7 304.13151 148.54508 96.440334 119.52858 -7.326033 14.218098 683 517104 0 183.03883 -2983485.4 0 -2983485.4 7771452.7 304.13167 148.54481 96.439998 119.52885 -7.325995 14.218148 684 517104 0 183.0389 -2983485.4 0 -2983485.4 7771452.7 304.13199 148.54489 96.439813 119.52902 -7.325951 14.21806 685 517104 0 183.03891 -2983485.4 0 -2983485.4 7771452.7 304.13215 148.54492 96.439668 119.52914 -7.3259949 14.218031 686 517104 0 183.0389 -2983485.4 0 -2983485.4 7771452.7 304.13218 148.54492 96.439596 119.52913 -7.3260788 14.217999 687 517104 0 183.0389 -2983485.4 0 -2983485.4 7771452.7 304.13216 148.54492 96.43961 119.52907 -7.326072 14.217965 688 517104 0 183.0387 -2983485.4 0 -2983485.4 7771452.7 304.13221 148.54472 96.439188 119.52926 -7.3260738 14.21794 689 517104 0 183.03798 -2983485.4 0 -2983485.4 7771452.7 304.13248 148.54395 96.437498 119.53014 -7.3261742 14.217924 690 517104 0 183.03773 -2983485.4 0 -2983485.4 7771452.7 304.13256 148.54374 96.436899 119.53043 -7.3261805 14.217882 691 517104 0 183.03752 -2983485.4 0 -2983485.4 7771452.7 304.13231 148.54364 96.43662 119.53037 -7.3260876 14.217788 692 517104 0 183.03687 -2983485.4 0 -2983485.4 7771452.7 304.13106 148.54336 96.436193 119.52987 -7.3259208 14.217662 693 517104 0 183.03655 -2983485.4 0 -2983485.4 7771452.7 304.13013 148.5432 96.436339 119.52949 -7.3259838 14.217781 694 517104 0 183.03652 -2983485.4 0 -2983485.4 7771452.7 304.12986 148.54319 96.436525 119.52943 -7.3260276 14.217864 695 517104 0 183.03652 -2983485.4 0 -2983485.4 7771452.7 304.12986 148.54318 96.436524 119.5296 -7.3260921 14.21794 696 517104 0 183.03651 -2983485.4 0 -2983485.4 7771452.7 304.13005 148.54317 96.436319 119.52985 -7.3261302 14.217956 697 517104 0 183.0365 -2983485.4 0 -2983485.4 7771452.7 304.13016 148.54315 96.436192 119.52995 -7.3261243 14.217942 698 517104 0 183.03637 -2983485.4 0 -2983485.4 7771452.7 304.13017 148.543 96.435934 119.52993 -7.3260805 14.217899 699 517104 0 183.03601 -2983485.4 0 -2983485.4 7771452.7 304.13005 148.54259 96.435383 119.52987 -7.326039 14.21786 700 517104 0 183.03503 -2983485.4 0 -2983485.4 7771452.7 304.12961 148.5415 96.433977 119.52992 -7.3260173 14.217875 701 517104 0 183.03434 -2983485.4 0 -2983485.4 7771452.7 304.12938 148.54075 96.432905 119.53008 -7.325994 14.217886 702 517104 0 183.03427 -2983485.4 0 -2983485.4 7771452.7 304.12945 148.54069 96.432664 119.53025 -7.3259863 14.217889 703 517104 0 183.03434 -2983485.4 0 -2983485.4 7771452.7 304.12961 148.54087 96.432542 119.53062 -7.3260301 14.217936 704 517104 0 183.03428 -2983485.4 0 -2983485.4 7771452.7 304.12913 148.5409 96.4328 119.53045 -7.3260791 14.218001 705 517104 0 183.03421 -2983485.4 0 -2983485.4 7771452.7 304.12852 148.54097 96.433135 119.53019 -7.3261037 14.218055 706 517104 0 183.03422 -2983485.4 0 -2983485.4 7771452.7 304.1286 148.541 96.433047 119.53024 -7.3260689 14.218019 707 517104 0 183.0342 -2983485.4 0 -2983485.4 7771452.7 304.12861 148.541 96.432979 119.53026 -7.3260618 14.218002 708 517104 0 183.03393 -2983485.4 0 -2983485.4 7771452.7 304.12784 148.54082 96.433114 119.52988 -7.326111 14.218005 709 517104 0 183.03372 -2983485.4 0 -2983485.4 7771452.7 304.12722 148.54073 96.433195 119.52958 -7.3260649 14.217952 710 517104 0 183.03377 -2983485.4 0 -2983485.4 7771452.7 304.12754 148.5408 96.432969 119.52987 -7.3260249 14.217934 711 517104 0 183.03376 -2983485.4 0 -2983485.4 7771452.7 304.12772 148.54078 96.432796 119.53011 -7.3260926 14.217983 712 517104 0 183.03377 -2983485.4 0 -2983485.4 7771452.7 304.12794 148.54075 96.432625 119.53035 -7.3260971 14.218 713 517104 0 183.03372 -2983485.4 0 -2983485.4 7771452.7 304.12823 148.54061 96.432306 119.53068 -7.3261187 14.218038 714 517104 0 183.03352 -2983485.4 0 -2983485.4 7771452.7 304.12851 148.5403 96.431755 119.53099 -7.3261718 14.218087 715 517104 0 183.03331 -2983485.4 0 -2983485.4 7771452.7 304.1285 148.54007 96.431355 119.53091 -7.3260473 14.217974 716 517104 0 183.03303 -2983485.4 0 -2983485.4 7771452.7 304.12828 148.53982 96.430975 119.53082 -7.3260353 14.217932 717 517104 0 183.03204 -2983485.4 0 -2983485.4 7771452.7 304.12708 148.53907 96.429984 119.53023 -7.32592 14.217739 718 517104 0 183.03023 -2983485.4 0 -2983485.4 7771452.7 304.12465 148.53785 96.428192 119.52974 -7.3256319 14.21753 719 517104 0 183.02739 -2983485.4 0 -2983485.4 7771452.7 304.12218 148.53563 96.424354 119.53122 -7.3262915 14.218173 720 517104 0 183.02175 -2983485.4 0 -2983485.4 7771452.7 304.1174 148.5312 96.416656 119.53412 -7.3270629 14.219135 721 517104 0 183.01893 -2983485.4 0 -2983485.4 7771452.7 304.11446 148.52902 96.413289 119.53416 -7.3264686 14.21884 722 517104 0 183.0157 -2983485.4 0 -2983485.4 7771452.7 304.1115 148.52616 96.409455 119.53345 -7.3260994 14.218542 723 517104 0 183.01326 -2983485.4 0 -2983485.4 7771452.7 304.1095 148.52383 96.406444 119.533 -7.3260037 14.218441 724 517104 0 183.01209 -2983485.4 0 -2983485.4 7771452.7 304.10897 148.52252 96.404775 119.53295 -7.3257054 14.218159 725 517104 0 183.01099 -2983485.4 0 -2983485.4 7771452.7 304.10988 148.5212 96.401904 119.53484 -7.3261318 14.218261 726 517104 0 183.01058 -2983485.4 0 -2983485.4 7771452.7 304.11049 148.52068 96.40056 119.5358 -7.3262399 14.218267 727 517104 0 183.01043 -2983485.4 0 -2983485.4 7771452.7 304.11054 148.52051 96.400243 119.53588 -7.3261648 14.218215 728 517104 0 183.0101 -2983485.4 0 -2983485.4 7771452.7 304.11026 148.5202 96.399857 119.5358 -7.3261957 14.218236 729 517104 0 183.00911 -2983485.4 0 -2983485.4 7771452.7 304.10917 148.51932 96.398843 119.53531 -7.3261966 14.218251 730 517104 0 183.00853 -2983485.4 0 -2983485.4 7771452.7 304.10839 148.51886 96.39833 119.53485 -7.3259835 14.218155 731 517104 0 183.00803 -2983485.4 0 -2983485.4 7771452.7 304.10802 148.51846 96.397602 119.53512 -7.325891 14.218172 732 517104 0 183.00692 -2983485.4 0 -2983485.4 7771452.7 304.10767 148.51739 96.395689 119.53654 -7.3263821 14.218519 733 517104 0 183.00615 -2983485.4 0 -2983485.4 7771452.7 304.10712 148.51669 96.39463 119.53704 -7.3264867 14.21857 734 517104 0 183.00598 -2983485.4 0 -2983485.4 7771452.7 304.10666 148.5166 96.394677 119.53651 -7.3261866 14.218368 735 517104 0 183.00576 -2983485.4 0 -2983485.4 7771452.7 304.10644 148.51639 96.394439 119.53632 -7.3261677 14.218339 736 517104 0 183.00557 -2983485.4 0 -2983485.4 7771452.7 304.10631 148.51616 96.394234 119.53612 -7.3261495 14.218291 737 517104 0 183.0054 -2983485.4 0 -2983485.4 7771452.7 304.10613 148.51596 96.39412 119.53578 -7.3260187 14.218189 738 517104 0 183.00545 -2983485.4 0 -2983485.4 7771452.7 304.10616 148.51601 96.394179 119.5358 -7.3259398 14.218184 739 517104 0 183.00547 -2983485.4 0 -2983485.4 7771452.7 304.10631 148.516 96.39409 119.53608 -7.3259917 14.21826 740 517104 0 183.00543 -2983485.4 0 -2983485.4 7771452.7 304.1064 148.51593 96.393955 119.53626 -7.3260951 14.218308 741 517104 0 183.00544 -2983485.4 0 -2983485.4 7771452.7 304.10651 148.51591 96.393898 119.53639 -7.3261311 14.218319 742 517104 0 183.00545 -2983485.4 0 -2983485.4 7771452.7 304.10656 148.51595 96.393845 119.53651 -7.3260749 14.218315 743 517104 0 183.00524 -2983485.4 0 -2983485.4 7771452.7 304.10651 148.51577 96.393445 119.53675 -7.3261745 14.218379 744 517104 0 183.0047 -2983485.4 0 -2983485.4 7771452.7 304.10616 148.51527 96.392659 119.53683 -7.3262437 14.218378 745 517104 0 183.00437 -2983485.4 0 -2983485.4 7771452.7 304.10571 148.51496 96.39245 119.53633 -7.3259629 14.218183 746 517104 0 183.00429 -2983485.4 0 -2983485.4 7771452.7 304.10569 148.51485 96.392319 119.53641 -7.3258986 14.218191 747 517104 0 183.00419 -2983485.4 0 -2983485.4 7771452.7 304.10582 148.51472 96.392029 119.53679 -7.326041 14.218296 748 517104 0 183.0042 -2983485.4 0 -2983485.4 7771452.7 304.10585 148.5147 96.39205 119.53688 -7.3260549 14.21831 749 517104 0 183.00412 -2983485.4 0 -2983485.4 7771452.7 304.10588 148.51456 96.391932 119.5371 -7.326148 14.218404 750 517104 0 183.00383 -2983485.4 0 -2983485.4 7771452.7 304.10575 148.51426 96.391494 119.53724 -7.3262414 14.218452 751 517104 0 183.00358 -2983485.4 0 -2983485.4 7771452.7 304.1053 148.51406 96.391378 119.53666 -7.3260184 14.218198 752 517104 0 183.00327 -2983485.4 0 -2983485.4 7771452.7 304.10486 148.51382 96.391142 119.5362 -7.325953 14.218067 753 517104 0 183.00293 -2983485.4 0 -2983485.4 7771452.7 304.10458 148.51351 96.390692 119.53618 -7.3260275 14.218094 754 517104 0 183.00282 -2983485.4 0 -2983485.4 7771452.7 304.10464 148.51338 96.390458 119.53646 -7.3260684 14.218161 755 517104 0 183.00284 -2983485.4 0 -2983485.4 7771452.7 304.10473 148.51337 96.390429 119.53662 -7.3260982 14.218207 756 517104 0 183.00284 -2983485.4 0 -2983485.4 7771452.7 304.10485 148.51334 96.390336 119.53688 -7.3261921 14.218324 757 517104 0 183.00282 -2983485.4 0 -2983485.4 7771452.7 304.10491 148.51331 96.39025 119.53704 -7.3262305 14.218408 758 517104 0 183.00274 -2983485.4 0 -2983485.4 7771452.7 304.10474 148.51326 96.390211 119.53684 -7.3261181 14.218356 759 517104 0 183.00255 -2983485.4 0 -2983485.4 7771452.7 304.10446 148.51313 96.390048 119.53656 -7.3260462 14.218303 760 517104 0 183.00244 -2983485.4 0 -2983485.4 7771452.7 304.10432 148.51306 96.389954 119.53641 -7.3260033 14.218272 761 517104 0 183.00246 -2983485.4 0 -2983485.4 7771452.7 304.10435 148.51306 96.389961 119.53646 -7.3259977 14.218276 762 517104 0 183.00251 -2983485.4 0 -2983485.4 7771452.7 304.10452 148.51308 96.389945 119.53673 -7.3260602 14.218343 763 517104 0 183.00251 -2983485.4 0 -2983485.4 7771452.7 304.10458 148.51306 96.389905 119.53685 -7.3261092 14.218379 764 517104 0 183.00246 -2983485.4 0 -2983485.4 7771452.7 304.10466 148.51294 96.389771 119.5371 -7.3262139 14.218446 765 517104 0 183.00225 -2983485.4 0 -2983485.4 7771452.7 304.10448 148.51265 96.389611 119.5371 -7.3260682 14.218343 766 517104 0 183.00051 -2983485.4 0 -2983485.4 7771452.7 304.10351 148.51054 96.387488 119.53753 -7.3260155 14.218129 767 517104 0 182.99914 -2983485.4 0 -2983485.4 7771452.7 304.10295 148.5089 96.38556 119.53805 -7.3262774 14.218088 768 517104 0 182.99899 -2983485.4 0 -2983485.4 7771452.7 304.10285 148.50876 96.385345 119.53795 -7.3261165 14.21797 769 517104 0 182.99845 -2983485.4 0 -2983485.4 7771452.7 304.10271 148.50844 96.384205 119.53823 -7.3259982 14.218075 770 517104 0 182.99785 -2983485.4 0 -2983485.4 7771452.7 304.10259 148.50811 96.382836 119.53849 -7.3259476 14.218221 771 517104 0 182.99791 -2983485.4 0 -2983485.4 7771452.7 304.10262 148.50816 96.38295 119.53839 -7.3259767 14.2182 772 517104 0 182.998 -2983485.4 0 -2983485.4 7771452.7 304.10266 148.50819 96.383133 119.53827 -7.3260818 14.218219 773 517104 0 182.99794 -2983485.4 0 -2983485.4 7771452.7 304.10258 148.50811 96.383135 119.53827 -7.3261107 14.218271 774 517104 0 182.99783 -2983485.4 0 -2983485.4 7771452.7 304.10235 148.50801 96.383126 119.53819 -7.326066 14.218277 775 517104 0 182.99758 -2983485.4 0 -2983485.4 7771452.7 304.10189 148.50779 96.383066 119.53801 -7.3260126 14.218297 776 517104 0 182.99718 -2983485.4 0 -2983485.4 7771452.7 304.10123 148.50747 96.382854 119.53772 -7.3259757 14.218329 777 517104 0 182.99716 -2983485.4 0 -2983485.4 7771452.7 304.10128 148.50746 96.382748 119.53777 -7.3259822 14.218333 778 517104 0 182.99717 -2983485.4 0 -2983485.4 7771452.7 304.10135 148.50747 96.38269 119.53782 -7.3260199 14.218347 779 517104 0 182.99717 -2983485.4 0 -2983485.4 7771452.7 304.10139 148.50748 96.382648 119.53783 -7.3260661 14.218362 780 517104 0 182.99714 -2983485.4 0 -2983485.4 7771452.7 304.10146 148.50748 96.382491 119.53786 -7.3261392 14.218396 781 517104 0 182.99707 -2983485.4 0 -2983485.4 7771452.7 304.1015 148.50744 96.382279 119.53793 -7.3261672 14.218416 782 517104 0 182.99695 -2983485.4 0 -2983485.4 7771452.7 304.10142 148.50733 96.382111 119.53796 -7.3260992 14.218389 783 517104 0 182.99683 -2983485.4 0 -2983485.4 7771452.7 304.1013 148.50721 96.381986 119.53794 -7.3260318 14.218363 784 517104 0 182.99668 -2983485.4 0 -2983485.4 7771452.7 304.10098 148.50702 96.382045 119.53772 -7.326016 14.218356 785 517104 0 182.99657 -2983485.4 0 -2983485.4 7771452.7 304.10082 148.50687 96.382012 119.53763 -7.3260434 14.218359 786 517104 0 182.99658 -2983485.4 0 -2983485.4 7771452.7 304.10111 148.50688 96.381746 119.53793 -7.3260816 14.218365 787 517104 0 182.99658 -2983485.4 0 -2983485.4 7771452.7 304.10111 148.50688 96.381746 119.53793 -7.3260816 14.218365 Loop time of 2088.78 on 4 procs for 787 steps with 517104 atoms 99.7% CPU use with 4 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = linesearch alpha is zero Energy initial, next-to-last, final = -2983464.67280532 -2983485.40234308 -2983485.40234308 Force two-norm initial, final = 15.359372 0.0036484252 Force max component initial, final = 1.1778663 0.00027103057 Final line search alpha, max atom move = 0.0009765625 2.6467829e-07 Iterations, force evaluations = 787 3436 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 1850.1 | 1916 | 2050.9 | 187.3 | 91.73 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 29.59 | 164.72 | 230.64 | 639.7 | 7.89 Output | 1.1587 | 1.1664 | 1.1846 | 1.0 | 0.06 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 6.865 | | | 0.33 Nlocal: 129276 ave 130312 max 128268 min Histogram: 1 0 1 0 0 0 0 1 0 1 Nghost: 47708.8 ave 48711 max 46679 min Histogram: 1 0 1 0 0 0 0 1 0 1 Neighs: 0 ave 0 max 0 min Histogram: 4 0 0 0 0 0 0 0 0 0 FullNghs: 1.0083e+07 ave 1.0164e+07 max 1.00041e+07 min Histogram: 1 0 1 0 0 0 0 1 0 1 Total # of neighbors = 40331928 Ave neighs/atom = 77.995776 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 = 6.5 ghost atom cutoff = 6.5 binsize = 3.25, bins = 80 119 24 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 787 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) = 85.3 | 85.54 | 85.77 Mbytes Step Atoms Temp Press PotEng KinEng TotEng Volume Pxx Pyy Pzz Pxy Pyz Pxz 787 517104 0 182.99658 -2983485.4 0 -2983485.4 7771452.7 304.10111 148.50688 96.381746 119.53793 -7.3260816 14.218365 788 517104 0 -77.313996 -2983485.4 0 -2983485.4 7772154.2 16.676003 -102.99183 -145.62616 118.21495 7.7871563 -0.42139041 789 517104 0 -88.065524 -2983485.5 0 -2983485.5 7772183 -59.587224 -92.768695 -111.84065 112.82784 -17.31089 -19.948757 790 517104 0 -25.508494 -2983485.5 0 -2983485.5 7772014.4 -6.0125117 -27.648893 -42.864078 110.26325 4.3831109 -4.6375553 791 517104 0 49.155068 -2983485.5 0 -2983485.5 7771813.1 61.524675 48.13039 37.810139 101.56651 -15.90483 3.1076892 792 517104 0 68.780577 -2983485.5 0 -2983485.5 7771760 55.679296 71.556098 79.106336 66.208285 32.260057 34.936857 793 517104 0 3.021922 -2983485.5 0 -2983485.5 7771937.1 -30.646453 8.7388716 30.973348 30.187872 1.9523867 13.157138 794 517104 0 -0.70078199 -2983485.5 0 -2983485.5 7771947.1 -27.435116 3.7598149 21.572955 28.016675 -4.7355046 -2.0575387 795 517104 0 -0.4565204 -2983485.5 0 -2983485.5 7771946.5 -18.19466 2.3947884 14.43031 24.93535 7.6879567 -0.052911246 796 517104 0 0.84860377 -2983485.5 0 -2983485.5 7771943 1.1754856 0.54812991 0.82219576 18.339675 -6.0286345 -3.1656381 797 517104 0 0.67897241 -2983485.5 0 -2983485.5 7771943.4 5.3745664 -0.35043383 -2.9872153 16.417971 -3.0518854 -1.1266027 798 517104 0 0.076057878 -2983485.5 0 -2983485.5 7771945.1 4.1708283 -0.78965134 -3.1530033 16.057812 1.8298043 0.69117132 799 517104 0 -5.7936352 -2983485.5 0 -2983485.5 7771960.8 -13.63884 -3.3631587 -0.37890655 7.9886462 -0.45931131 -0.34480371 800 517104 0 6.2490666 -2983485.5 0 -2983485.5 7771928.4 -0.89329097 8.3290626 11.311428 5.438518 1.0361276 0.5256243 801 517104 0 4.6787728 -2983485.6 0 -2983485.6 7771932.6 3.1354581 4.7886244 6.112236 -0.26777529 -3.2074487 -0.93237619 802 517104 0 1.0488233 -2983485.6 0 -2983485.6 7771942.4 1.069839 0.65039211 1.4262387 -1.7252311 -0.30643047 0.033763284 803 517104 0 -0.11057224 -2983485.6 0 -2983485.6 7771945.5 -0.11115175 -0.43001613 0.20945117 -1.6705193 0.27842336 0.11571609 804 517104 0 -1.092724 -2983485.6 0 -2983485.6 7771948.2 -1.1371346 -1.2252899 -0.91574755 -1.5246496 -0.054347197 -0.16759735 805 517104 0 1.0509384 -2983485.6 0 -2983485.6 7771942.4 0.87261762 1.5233975 0.75680007 -0.93825387 -0.41908724 -0.19162324 806 517104 0 1.0479385 -2983485.6 0 -2983485.6 7771942.4 0.83178131 1.7174373 0.59459696 -0.64195961 0.1245414 0.090355482 807 517104 0 -0.60855291 -2983485.6 0 -2983485.6 7771946.9 -0.78034456 -0.050173612 -0.99514057 -0.48637199 -0.023302995 0.0079286996 808 517104 0 -0.85229423 -2983485.6 0 -2983485.6 7771947.5 -0.83352674 -0.87327598 -0.85007997 -0.16176707 -0.10412095 -0.12041221 809 517104 0 -0.21838399 -2983485.6 0 -2983485.6 7771945.8 -0.18181837 -0.30159837 -0.17173524 -0.12123978 0.042080394 -0.023733683 810 517104 0 -0.14193076 -2983485.6 0 -2983485.6 7771945.6 -0.10786933 -0.21991588 -0.098007076 -0.11996106 0.017670357 -0.021349684 811 517104 0 -0.0056411014 -2983485.6 0 -2983485.6 7771945.2 0.021860453 -0.070186387 0.03140263 -0.11649177 -0.0087644046 -0.0088611987 812 517104 0 -0.0056411014 -2983485.6 0 -2983485.6 7771945.2 0.021860453 -0.070186387 0.03140263 -0.11649177 -0.0087644046 -0.0088611987 Loop time of 100.887 on 4 procs for 25 steps with 517104 atoms 99.4% CPU use with 4 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = linesearch alpha is zero Energy initial, next-to-last, final = -2983485.40234305 -2983485.55010475 -2983485.55010475 Force two-norm initial, final = 1774.4315 0.59984298 Force max component initial, final = 1475.0606 0.37855172 Final line search alpha, max atom move = 3.1974238e-08 1.2103903e-08 Iterations, force evaluations = 25 161 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 85.869 | 89.359 | 97.714 | 51.3 | 88.57 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.63392 | 8.9997 | 12.485 | 161.9 | 8.92 Output | 0.02939 | 0.02961 | 0.030082 | 0.2 | 0.03 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 2.499 | | | 2.48 Nlocal: 129276 ave 129976 max 128576 min Histogram: 2 0 0 0 0 0 0 0 0 2 Nghost: 47708.5 ave 48483 max 46942 min Histogram: 2 0 0 0 0 0 0 0 0 2 Neighs: 0 ave 0 max 0 min Histogram: 4 0 0 0 0 0 0 0 0 0 FullNghs: 1.00827e+07 ave 1.01377e+07 max 1.00278e+07 min Histogram: 2 0 0 0 0 0 0 0 0 2 Total # of neighbors = 40330976 Ave neighs/atom = 77.993935 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:36:36